*HEADER    TOXIN                                   27-APR-15   2N24              
*TITLE     SOLUTION NMR STRUCTURE OF CONTRYPHAN-VC1                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: O2_CONTRYPHAN_VC1;                                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUE 68-98;                                         
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS VICTORIAE;                                
*SOURCE   4 ORGANISM_COMMON: QUEEN VICTORIA CONE;                                
*SOURCE   5 ORGANISM_TAXID: 319920                                               
*KEYWDS    CONTRYPHAN-VC1, SINGLE DISULFIDE-DIRECTED BETA HAIRPIN, SDH, TOXIN    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.D.ROBINSON, S.CHHABRA, R.S.NORTON                                   
*REVDAT   1   03-FEB-16 2N24    0                                                


!hbond
assign (resid 8 and name N  )
       (resid 8 and name HN )
       (resid 17 and name O  )
assign (resid 10 and name N  )
       (resid 10 and name HN )
       (resid 15 and name O  )   
assign (resid 17 and name N  )
       (resid 17 and name HN )
       (resid 8 and name O  )     
assign (resid 19 and name N  )
       (resid 19 and name HN )
       (resid 6 and name O  )   
assign (resid 7 and name N  )
       (resid 7 and name HN )
       (resid 4 and name O  )    

!NOE
assign (resid 16 and name HA ) (resid 17 and name HN ) 2.75 0.95 0
assign (resid 8 and name HN ) (resid 16 and name HA ) 4.84 3.04 0
assign (resid 10 and name HN ) (resid 16 and name HA ) 3.73 1.93 0
assign (resid 9 and name HD* ) (resid 16 and name HA ) 3.88 2.08 0
assign (resid 7 and name HD* ) (resid 16 and name HA ) 4.38 2.58 0
assign (resid 9 and name HE* ) (resid 16 and name HA ) 5.44 3.64 0
assign (resid 10 and name HA ) (resid 10 and name HD21 ) 4.43 2.63 0
assign (resid 10 and name HA ) (resid 12 and name HN ) 4.57 2.77 0
assign (resid 9 and name HD* ) (resid 10 and name HA ) 4.52 2.72 0
assign (resid 7 and name HA ) (resid 7 and name HD* ) 3.46 1.66 0
assign (resid 7 and name HA ) (resid 17 and name HN ) 5.28 3.48 0
assign (resid 7 and name HA ) (resid 8 and name HN ) 2.87 1.07 0
assign (resid 7 and name HA ) (resid 19 and name HN ) 3.42 1.62 0
assign (resid 25 and name HA ) (resid 25 and name HD2 ) 4.63 2.83 0
assign (resid 17 and name HA ) (resid 18 and name HN ) 2.99 1.19 0
assign (resid 7 and name HD* ) (resid 17 and name HA ) 3.99 2.19 0
assign (resid 7 and name HE* ) (resid 17 and name HA ) 4.34 2.54 0
assign (resid 3 and name HA ) (resid 4 and name HN ) 3.08 1.28 0
assign (resid 8 and name HA ) (resid 9 and name HN ) 2.68 0.88 0
assign (resid 28 and name HA ) (resid 29 and name HN ) 3.51 1.71 0
assign (resid 2 and name HA ) (resid 3 and name HN ) 2.8 1 0
assign (resid 2 and name HA ) (resid 2 and name HE3 ) 4.45 2.65 0
assign (resid 2 and name HA ) (resid 2 and name HD1 ) 3.89 2.09 0
assign (resid 29 and name HA ) (resid 30 and name HN ) 3.36 1.56 0
assign (resid 29 and name HA ) (resid 29 and name HD* ) 3.73 1.93 0
assign (resid 26 and name HA ) (resid 28 and name HN ) 4.81 3.01 0
assign (resid 31 and name HA ) (resid 31 and name HD* ) 4.6 2.8 0
assign (resid 5 and name HA ) (resid 6 and name HN ) 2.79 0.99 0
assign (resid 21 and name HA ) (resid 22 and name HN ) 3.64 1.84 0
assign (resid 9 and name HA ) (resid 9 and name HD* ) 3.01 1.21 0
assign (resid 9 and name HA ) (resid 9 and name HE* ) 4.85 3.05 0
assign (resid 9 and name HA ) (resid 17 and name HN ) 3.96 2.16 0
assign (resid 9 and name HA ) (resid 10 and name HN ) 2.8 1 0
assign (resid 20 and name HA ) (resid 21 and name HN ) 3.54 1.74 0
assign (resid 22 and name HA ) (resid 23 and name HN ) 3.9 2.1 0
assign (resid 17 and name HN ) (resid 17 and name HB ) 4.02 2.22 0
assign (resid 17 and name HB ) (resid 18 and name HN ) 3.76 1.96 0
assign (resid 9 and name HA ) (resid 15 and name HN ) 5.5 3.7 0
assign (resid 2 and name HZ2 ) (resid 4 and name HA ) 4.26 2.46 0
assign (resid 2 and name HH2 ) (resid 4 and name HA ) 4.16 2.36 0
assign (resid 2 and name HZ3 ) (resid 4 and name HA ) 4.63 2.83 0
assign (resid 6 and name HA1 ) (resid 7 and name HD* ) 3.76 1.96 0
assign (resid 19 and name HB ) (resid 21 and name HN ) 4.07 2.27 0
assign (resid 19 and name HN ) (resid 19 and name HB ) 3.7 1.9 0
assign (resid 11 and name HA ) (resid 14 and name HN ) 3.85 2.05 0
assign (resid 9 and name HD* ) (resid 11 and name HA ) 4.79 2.99 0
assign (resid 9 and name HE* ) (resid 11 and name HA ) 3.36 1.56 0
assign (resid 23 and name HA ) (resid 24 and name HN ) 3.41 1.61 0   ! WAS 2.97
assign (resid 10 and name HN ) (resid 11 and name HD1 ) 4.05 2.25 0
assign (resid 11 and name HD1 ) (resid 13 and name HN ) 5.47 3.67 0
assign (resid 9 and name HE* ) (resid 11 and name HD1 ) 4.19 2.39 0
assign (resid 11 and name HD1 ) (resid 12 and name HN ) 3.92 2.12 0
assign (resid 9 and name HD* ) (resid 11 and name HD1 ) 3.77 1.97 0
assign (resid 9 and name HE* ) (resid 14 and name HA2 ) 3.86 2.06 0
assign (resid 1 and name HA ) (resid 2 and name HN ) 3.22 1.42 0
assign (resid 6 and name HA2 ) (resid 7 and name HD* ) 4.73 2.93 0
assign (resid 7 and name HB2 ) (resid 8 and name HN ) 3.67 1.87 0
assign (resid 18 and name HA ) (resid 19 and name HN ) 2.79 0.99 0
assign (resid 7 and name HB2 ) (resid 17 and name HN ) 5.16 3.36 0    ! WAS 4.9
assign (resid 4 and name HN ) (resid 7 and name HB2 ) 4.24 2.44 0
assign (resid 7 and name HN ) (resid 7 and name HB2 ) 3.22 1.42 0
assign (resid 2 and name HN ) (resid 2 and name HB1 ) 3.31 1.51 0
assign (resid 2 and name HB1 ) (resid 3 and name HN ) 4.4 2.6 0
assign (resid 2 and name HB1 ) (resid 2 and name HE3 ) 3.64 1.84 0
assign (resid 2 and name HB2 ) (resid 3 and name HN ) 4.34 2.54 0
assign (resid 16 and name HB2 ) (resid 17 and name HN ) 4.31 2.51 0
assign (resid 16 and name HN ) (resid 16 and name HB2 ) 3.7 1.9 0
assign (resid 2 and name HN ) (resid 2 and name HB2 ) 3.31 1.51 0
assign (resid 2 and name HB2 ) (resid 2 and name HD1 ) 3.26 1.46 0
assign (resid 7 and name HD* ) (resid 16 and name HB2 ) 3.81 2.01 0
assign (resid 3 and name HN ) (resid 3 and name HB1 ) 3.99 2.19 0
!assign (resid 9 and name HB2 ) (resid 17 and name HN ) 5.5 3.7 0      !violates
assign (resid 9 and name HN ) (resid 9 and name HB2 ) 2.89 1.09 0
assign (resid 10 and name HN ) (resid 10 and name HB2 ) 3.15 1.35 0
assign (resid 10 and name HB2 ) (resid 15 and name HN ) 3.96 2.16 0
assign (resid 10 and name HB2 ) (resid 14 and name HN ) 4.96 3.16 0
assign (resid 10 and name HB2 ) (resid 13 and name HN ) 4.53 2.73 0
assign (resid 10 and name HB1 ) (resid 10 and name HD21 ) 3.06 1.26 0
assign (resid 10 and name HB1 ) (resid 10 and name HD22 ) 3.66 1.86 0
assign (resid 16 and name HB1 ) (resid 17 and name HN ) 4.31 2.51 0
assign (resid 16 and name HN ) (resid 16 and name HB1 ) 3.7 1.9 0
assign (resid 4 and name HN ) (resid 16 and name HB1 ) 5.04 3.24 0
assign (resid 10 and name HN ) (resid 10 and name HB1 ) 3.46 1.66 0
assign (resid 10 and name HB1 ) (resid 13 and name HN ) 4.51 2.71 0
assign (resid 7 and name HD* ) (resid 16 and name HB1 ) 3.81 2.01 0
assign (resid 9 and name HN ) (resid 9 and name HB1 ) 2.97 1.17 0
assign (resid 30 and name HN ) (resid 30 and name HB1 ) 3.86 2.06 0
assign (resid 3 and name HN ) (resid 3 and name HB2 ) 3.99 2.19 0
assign (resid 7 and name HB1 ) (resid 17 and name HN ) 4.18 2.38 0
assign (resid 7 and name HB1 ) (resid 8 and name HN ) 3.32 1.52 0
assign (resid 7 and name HN ) (resid 7 and name HB1 ) 3.75 1.95 0
assign (resid 9 and name HE* ) (resid 11 and name HB2 ) 4.18 2.38 0
assign (resid 24 and name HN ) (resid 24 and name HG1 ) 4.17 2.37 0
assign (resid 5 and name HB1 ) (resid 6 and name HN ) 4.48 2.68 0
assign (resid 26 and name HB2 ) (resid 27 and name HN ) 4.63 2.83 0
assign (resid 24 and name HN ) (resid 24 and name HG2 ) 4.17 2.37 0
assign (resid 4 and name HN ) (resid 4 and name HG2 ) 3.67 1.87 0
assign (resid 9 and name HD* ) (resid 11 and name HG1 ) 4.09 2.29 0
assign (resid 4 and name HN ) (resid 4 and name HG1 ) 3.67 1.87 0
assign (resid 10 and name HD22 ) (resid 12 and name HB ) 4.19 2.39 0
assign (resid 12 and name HB ) (resid 13 and name HN ) 3.3 1.5 0
assign (resid 9 and name HE* ) (resid 11 and name HB1 ) 4.15 2.35 0
assign (resid 12 and name HN ) (resid 12 and name HB ) 2.96 1.16 0
assign (resid 2 and name HH2 ) (resid 4 and name HB1 ) 5.18 3.38 0
assign (resid 4 and name HB1 ) (resid 4 and name HE22 ) 5.5 3.7 0
assign (resid 4 and name HN ) (resid 4 and name HB1 ) 3.59 1.79 0
assign (resid 5 and name HB2 ) (resid 6 and name HN ) 4.48 2.68 0
assign (resid 15 and name HB ) (resid 16 and name HN ) 3.02 1.22 0
assign (resid 19 and name HN ) (resid 22 and name HB1 ) 4.99 3.19 0
assign (resid 23 and name HN ) (resid 23 and name HB ) 3.12 1.32 0
assign (resid 20 and name HN ) (resid 20 and name HD2* ) 4.21 2.41 0
assign (resid 4 and name HN ) (resid 4 and name HB2 ) 3.16 1.36 0
assign (resid 4 and name HB2 ) (resid 7 and name HD* ) 3.73 1.93 0
assign (resid 20 and name HN ) (resid 20 and name HB2 ) 3.47 1.67 0
assign (resid 20 and name HB2 ) (resid 21 and name HN ) 4.23 2.43 0
assign (resid 13 and name HB1 ) (resid 14 and name HN ) 4.01 2.21 0
assign (resid 10 and name HD22 ) (resid 13 and name HB1 ) 3.6 1.8 0
assign (resid 10 and name HD21 ) (resid 13 and name HB1 ) 4.18 2.38 0
assign (resid 12 and name HN ) (resid 13 and name HB1 ) 4.62 2.82 0
assign (resid 13 and name HN ) (resid 13 and name HB1 ) 3.12 1.32 0
assign (resid 13 and name HB1 ) (resid 15 and name HN ) 4.17 2.37 0
assign (resid 23 and name HN ) (resid 23 and name HG12 ) 3.86 2.06 0
assign (resid 8 and name HB* ) (resid 17 and name HN ) 4.48 2.68 0
assign (resid 8 and name HN ) (resid 8 and name HB* ) 3.27 1.47 0
assign (resid 8 and name HB* ) (resid 9 and name HN ) 3.53 1.73 0
assign (resid 18 and name HN ) (resid 18 and name HB ) 2.9 1.1 0
assign (resid 18 and name HB ) (resid 19 and name HN ) 4.36 2.56 0
assign (resid 7 and name HE* ) (resid 18 and name HB ) 3.42 1.62 0
assign (resid 10 and name HD21 ) (resid 13 and name HG ) 4.59 2.79 0
assign (resid 13 and name HG ) (resid 14 and name HN ) 3.83 2.03 0
assign (resid 13 and name HN ) (resid 13 and name HG ) 3.85 2.05 0
assign (resid 17 and name HN ) (resid 17 and name HG2* ) 3.69 1.89 0
assign (resid 17 and name HG2* ) (resid 18 and name HN ) 4.09 2.29 0
assign (resid 10 and name HD21 ) (resid 17 and name HG2* ) 3.95 2.15 0
assign (resid 10 and name HD22 ) (resid 17 and name HG2* ) 4.46 2.66 0
assign (resid 10 and name HN ) (resid 17 and name HG2* ) 4.42 2.62 0
assign (resid 19 and name HG2* ) (resid 22 and name HN ) 3.93 2.13 0
assign (resid 8 and name HN ) (resid 19 and name HG2* ) 3.93 2.13 0
assign (resid 19 and name HG2* ) (resid 21 and name HN ) 4.2 2.4 0
assign (resid 19 and name HG2* ) (resid 20 and name HN ) 4.49 2.69 0
assign (resid 19 and name HN ) (resid 19 and name HG2* ) 3.59 1.79 0
assign (resid 12 and name HN ) (resid 12 and name HG2* ) 3.17 1.37 0
assign (resid 10 and name HD22 ) (resid 12 and name HG2* ) 4.74 2.94 0
assign (resid 12 and name HG2* ) (resid 13 and name HN ) 4.39 2.59 0
assign (resid 18 and name HN ) (resid 18 and name HG11 ) 4.61 2.81 0
assign (resid 18 and name HG11 ) (resid 19 and name HN ) 3.89 2.09 0
assign (resid 12 and name HN ) (resid 12 and name HG1* ) 4.12 2.32 0
assign (resid 12 and name HG1* ) (resid 13 and name HN ) 4.02 2.22 0
assign (resid 18 and name HN ) (resid 18 and name HG12 ) 4.61 2.81 0
assign (resid 18 and name HG12 ) (resid 19 and name HN ) 3.89 2.09 0
assign (resid 15 and name HD1* ) (resid 16 and name HN ) 3.83 2.03 0
assign (resid 10 and name HD21 ) (resid 13 and name HD2* ) 3.97 2.17 0
assign (resid 10 and name HD22 ) (resid 13 and name HD2* ) 4.4 2.6 0
assign (resid 13 and name HD2* ) (resid 14 and name HN ) 4.92 3.12 0
assign (resid 20 and name HD1* ) (resid 21 and name HN ) 4.87 3.07 0
assign (resid 13 and name HN ) (resid 13 and name HD1* ) 4.27 2.47 0
assign (resid 15 and name HN ) (resid 15 and name HD1* ) 4.07 2.27 0
assign (resid 23 and name HG2* ) (resid 24 and name HN ) 3.67 1.87 0
assign (resid 18 and name HN ) (resid 18 and name HG2* ) 3.04 1.24 0
assign (resid 18 and name HG2* ) (resid 19 and name HN ) 3.98 2.18 0
assign (resid 7 and name HE* ) (resid 18 and name HD1* ) 3.36 1.56 0
assign (resid 9 and name HN ) (resid 9 and name HD* ) 4.16 2.36 0
assign (resid 7 and name HD* ) (resid 17 and name HN ) 4.22 2.42 0
assign (resid 7 and name HD* ) (resid 8 and name HN ) 4.33 2.53 0
assign (resid 9 and name HD* ) (resid 16 and name HN ) 4.67 2.87 0
assign (resid 15 and name HN ) (resid 16 and name HN ) 4.48 2.68 0
assign (resid 4 and name HN ) (resid 7 and name HD* ) 4.91 3.11 0
assign (resid 8 and name HN ) (resid 19 and name HN ) 4.44 2.64 0
assign (resid 6 and name HN ) (resid 7 and name HN ) 3.35 1.55 0
assign (resid 27 and name HN ) (resid 28 and name HN ) 3.92 2.12 0
assign (resid 3 and name HN ) (resid 4 and name HN ) 4.62 2.82 0
assign (resid 12 and name HN ) (resid 14 and name HN ) 4.14 2.34 0
assign (resid 1 and name H ) (resid 2 and name HN ) 3.77 1.97 0
assign (resid 29 and name HN ) (resid 29 and name HD* ) 4 2.2 0
assign (resid 13 and name HN ) (resid 14 and name HN ) 2.98 1.18 0
assign (resid 14 and name HN ) (resid 15 and name HN ) 3.1 1.3 0
assign (resid 7 and name HD* ) (resid 18 and name HN ) 4.01 2.21 0
assign (resid 7 and name HE* ) (resid 18 and name HN ) 4.21 2.41 0
assign (resid 7 and name HN ) (resid 7 and name HD* ) 3.43 1.63 0
assign (resid 10 and name HN ) (resid 15 and name HN ) 3.83 2.03 0
assign (resid 9 and name HD* ) (resid 10 and name HN ) 3.86 2.06 0
assign (resid 12 and name HN ) (resid 13 and name HN ) 3 1.2 0
assign (resid 23 and name HN ) (resid 24 and name HN ) 3.89 2.09 0
assign (resid 30 and name HN ) (resid 31 and name HN ) 4.16 2.36 0
assign (resid 10 and name HN ) (resid 17 and name HN ) 4.7 2.9 0
assign (resid 16 and name HN ) (resid 17 and name HN ) 4.75 2.95 0
assign (resid 2 and name HE3 ) (resid 4 and name HN ) 5 3.2 0
assign (resid 2 and name HH2 ) (resid 4 and name HN ) 5.5 3.7 0
assign (resid 2 and name HZ3 ) (resid 4 and name HN ) 5 3.2 0
assign (resid 2 and name HB1 ) (resid 2 and name HD1 ) 3.88 2.08 0
assign (resid 8 and name HN ) (resid 19 and name HA ) 4.93 3.13 0
assign (resid 8 and name HN ) (resid 17 and name HA ) 5.11 3.31 0
assign (resid 8 and name HA ) (resid 9 and name HB2 ) 4.73 2.93 0
assign (resid 22 and name HA ) (resid 22 and name HE ) 5.5 3.7 0
assign (resid 19 and name HB ) (resid 20 and name HN ) 3.82 2.02 0
assign (resid 19 and name HA ) (resid 20 and name HN ) 2.67 0.87 0
assign (resid 4 and name HA ) (resid 5 and name HD1 ) 3.4 1.6 0
assign (resid 19 and name HA ) (resid 19 and name HG2* ) 3.33 1.53 0
assign (resid 9 and name HN ) (resid 16 and name HA ) 4.86 3.06 0
assign (resid 4 and name HA ) (resid 5 and name HD2 ) 3.4 1.6 0
assign (resid 4 and name HN ) (resid 5 and name HD1 ) 4.96 3.16 0
assign (resid 4 and name HN ) (resid 5 and name HD2 ) 4.96 3.16 0
assign (resid 4 and name HA ) (resid 4 and name HG2 ) 4.17 2.37 0
assign (resid 4 and name HA ) (resid 4 and name HG1 ) 4.17 2.37 0
assign (resid 4 and name HB2 ) (resid 5 and name HD1 ) 4.43 2.63 0
assign (resid 4 and name HB2 ) (resid 5 and name HD2 ) 4.43 2.63 0
assign (resid 10 and name HA ) (resid 11 and name HD1 ) 2.72 0.92 0
assign (resid 10 and name HB2 ) (resid 11 and name HD1 ) 4.89 3.09 0
assign (resid 9 and name HB1 ) (resid 11 and name HD1 ) 4.61 2.81 0
assign (resid 12 and name HA ) (resid 12 and name HG2* ) 3 1.2 0
assign (resid 12 and name HA ) (resid 12 and name HG1* ) 3.21 1.41 0
assign (resid 18 and name HA ) (resid 18 and name HG11 ) 4.1 2.3 0
assign (resid 13 and name HA ) (resid 13 and name HD1* ) 2.7 0.9 0
assign (resid 13 and name HA ) (resid 13 and name HG ) 4.01 2.21 0
assign (resid 25 and name HA ) (resid 26 and name HD1 ) 3.26 1.46 0
assign (resid 25 and name HA ) (resid 26 and name HD2 ) 3.26 1.46 0
assign (resid 25 and name HN ) (resid 25 and name HD2 ) 4.91 3.11 0
assign (resid 15 and name HN ) (resid 15 and name HG2* ) 3.49 1.69 0
assign (resid 15 and name HG2* ) (resid 16 and name HN ) 4.1 2.3 0
assign (resid 15 and name HB ) (resid 15 and name HD1* ) 3 1.2 0
assign (resid 18 and name HN ) (resid 19 and name HN ) 4.86 3.06 0
assign (resid 17 and name HN ) (resid 18 and name HN ) 5.19 3.39 0
assign (resid 18 and name HA ) (resid 19 and name HG2* ) 4.25 2.45 0
assign (resid 18 and name HA ) (resid 18 and name HG12 ) 4.1 2.3 0
assign (resid 18 and name HA ) (resid 18 and name HG2* ) 3.56 1.76 0
assign (resid 18 and name HA ) (resid 18 and name HD1* ) 3.94 2.14 0
assign (resid 7 and name HE* ) (resid 18 and name HG2* ) 4.2 2.4 0
assign (resid 18 and name HN ) (resid 18 and name HD1* ) 4.11 2.31 0
assign (resid 18 and name HG2* ) (resid 20 and name HN ) 5.12 3.32 0
assign (resid 19 and name HN ) (resid 20 and name HN ) 4.59 2.79 0
assign (resid 20 and name HA ) (resid 20 and name HD2* ) 3.58 1.78 0
assign (resid 20 and name HA ) (resid 20 and name HD1* ) 3.58 1.78 0
assign (resid 20 and name HN ) (resid 20 and name HD1* ) 4.21 2.41 0
assign (resid 23 and name HA ) (resid 23 and name HG2* ) 3.19 1.39 0
assign (resid 7 and name HA ) (resid 18 and name HA ) 2.95 1.15 0
assign (resid 9 and name HA ) (resid 16 and name HA ) 3.23 1.43 0
assign (resid 10 and name HA ) (resid 10 and name HD22 ) 5.02 3.22 0
assign (resid 10 and name HB1 ) (resid 13 and name HD2* ) 4.39 2.59 0
assign (resid 10 and name HB2 ) (resid 17 and name HG2* ) 3.95 2.15 0
assign (resid 10 and name HB1 ) (resid 17 and name HG2* ) 3.78 1.98 0
assign (resid 10 and name HB2 ) (resid 13 and name HG ) 4.51 2.71 0   ! WAS 4.18
assign (resid 10 and name HB2 ) (resid 13 and name HB1 ) 4.15 2.35 0
assign (resid 10 and name HB1 ) (resid 13 and name HB1 ) 4.55 2.75 0
assign (resid 8 and name HN ) (resid 9 and name HN ) 4.24 2.44 0
assign (resid 8 and name HN ) (resid 17 and name HN ) 3.18 1.38 0
assign (resid 9 and name HN ) (resid 10 and name HN ) 4.89 3.09 0
assign (resid 28 and name HN ) (resid 29 and name HN ) 2.99 1.19 0
assign (resid 29 and name HN ) (resid 30 and name HN ) 3.41 1.61 0
assign (resid 22 and name HN ) (resid 23 and name HN ) 3.2 1.4 0
assign (resid 7 and name HD* ) (resid 19 and name HN ) 4.77 2.97 0
assign (resid 9 and name HE* ) (resid 10 and name HN ) 4.97 3.17 0
assign (resid 7 and name HB1 ) (resid 16 and name HA ) 4.75 2.95 0
assign (resid 12 and name HB ) (resid 14 and name HN ) 5.19 3.39 0
assign (resid 10 and name HD21 ) (resid 12 and name HB ) 5.07 3.27 0
assign (resid 4 and name HG2 ) (resid 7 and name HB2 ) 5.3 3.5 0
assign (resid 4 and name HG1 ) (resid 7 and name HB2 ) 5.3 3.5 0
assign (resid 23 and name HG12 ) (resid 24 and name HN ) 5.5 3.7 0
assign (resid 11 and name HD1 ) (resid 12 and name HG2* ) 4.38 2.58 0
assign (resid 22 and name HN ) (resid 23 and name HD1* ) 5.5 3.7 0
assign (resid 8 and name HN ) (resid 17 and name HB ) 5.29 3.49 0
assign (resid 8 and name HN ) (resid 19 and name HB ) 5.24 3.44 0
assign (resid 15 and name HD1* ) (resid 17 and name HN ) 5.06 3.26 0
assign (resid 2 and name HN ) (resid 2 and name HE3 ) 5.17 3.37 0
assign (resid 2 and name HE3 ) (resid 3 and name HA ) 5.21 3.41 0
assign (resid 2 and name HN ) (resid 2 and name HD1 ) 5.39 3.59 0
assign (resid 10 and name HD22 ) (resid 13 and name HN ) 4.57 2.77 0
assign (resid 10 and name HD21 ) (resid 13 and name HN ) 5.09 3.29 0
assign (resid 1 and name HG2 ) (resid 9 and name HD* ) 5.08 3.28 0
assign (resid 1 and name HG2 ) (resid 9 and name HE* ) 5.03 3.23 0
assign (resid 1 and name HA ) (resid 9 and name HD* ) 5.42 3.62 0
assign (resid 1 and name HA ) (resid 9 and name HE* ) 5.45 3.65 0
assign (resid 1 and name HB1 ) (resid 9 and name HE* ) 5.23 3.43 0
assign (resid 1 and name HB2 ) (resid 9 and name HE* ) 5.23 3.43 0
assign (resid 9 and name HD* ) (resid 17 and name HN ) 5.36 3.56 0
assign (resid 9 and name HN ) (resid 17 and name HN ) 5.19 3.39 0
assign (resid 17 and name HA ) (resid 17 and name HG2* ) 3.36 1.56 0
assign (resid 7 and name HN ) (resid 8 and name HN ) 5.33 3.53 0
assign (resid 8 and name HB* ) (resid 19 and name HB ) 4.41 2.61 0
assign (resid 8 and name HB* ) (resid 9 and name HB2 ) 5.5 3.7 0
assign (resid 11 and name HA ) (resid 14 and name HA2 ) 3.85 2.05 0
assign (resid 7 and name HA ) (resid 19 and name HG2* ) 3.73 1.93 0
assign (resid 7 and name HA ) (resid 8 and name HB* ) 4.26 2.46 0
assign (resid 16 and name HA ) (resid 17 and name HG2* ) 4.45 2.65 0
assign (resid 9 and name HB2 ) (resid 16 and name HA ) 4.63 2.83 0
assign (resid 13 and name HG ) (resid 15 and name HN ) 3.73 1.93 0
assign (resid 10 and name HD21 ) (resid 11 and name HD1 ) 5.29 3.49 0
assign (resid 10 and name HD21 ) (resid 13 and name HA ) 5.32 3.52 0
assign (resid 10 and name HB1 ) (resid 14 and name HN ) 5.45 3.65 0
assign (resid 4 and name HB2 ) (resid 7 and name HB2 ) 5.5 3.7 0
assign (resid 18 and name HA ) (resid 19 and name HA ) 4.82 3.02 0
assign (resid 18 and name HA ) (resid 19 and name HB ) 4.84 3.04 0
assign (resid 2 and name HZ3 ) (resid 4 and name HB1 ) 5.35 3.55 0
assign (resid 2 and name HZ3 ) (resid 4 and name HG1 ) 5.5 3.7 0
assign (resid 2 and name HH2 ) (resid 5 and name HD1 ) 5.5 3.7 0
assign (resid 2 and name HH2 ) (resid 5 and name HD2 ) 5.5 3.7 0
assign (resid 7 and name HN ) (resid 8 and name HA ) 5.37 3.57 0
assign (resid 5 and name HA ) (resid 7 and name HN ) 5.27 3.47 0
assign (resid 9 and name HE* ) (resid 14 and name HN ) 5.14 3.34 0
assign (resid 9 and name HE* ) (resid 16 and name HN ) 5.5 3.7 0
assign (resid 10 and name HN ) (resid 10 and name HD21 ) 5.08 3.28 0
assign (resid 7 and name HB1 ) (resid 19 and name HN ) 5.5 3.7 0
assign (resid 9 and name HD* ) (resid 11 and name HG2 ) 5.26 3.46 0
assign (resid 9 and name HE* ) (resid 11 and name HG2 ) 4.5 2.7 0
assign (resid 9 and name HD* ) (resid 14 and name HA2 ) 5.5 3.7 0
assign (resid 25 and name HA ) (resid 27 and name HN ) 5.06 3.26 0
assign (resid 10 and name HN ) (resid 13 and name HD2* ) 5.46 3.66 0
assign (resid 10 and name HN ) (resid 13 and name HG ) 5.4 3.6 0
assign (resid 9 and name HE* ) (resid 10 and name HA ) 5.38 3.58 0
assign (resid 30 and name HB2 ) (resid 31 and name HN ) 5.49 3.69 0
assign (resid 18 and name HB ) (resid 18 and name HD1* ) 3.26 1.46 0
assign (resid 18 and name HG2* ) (resid 18 and name HD1* ) 2.4 0.6 0
assign (resid 18 and name HD1* ) (resid 22 and name HB1 ) 4.31 2.51 0
assign (resid 23 and name HN ) (resid 23 and name HG11 ) 3.86 2.06 0
assign (resid 23 and name HB ) (resid 23 and name HD1* ) 3.52 1.72 0
assign (resid 23 and name HN ) (resid 23 and name HG2* ) 4.31 2.51 0
assign (resid 23 and name HN ) (resid 23 and name HD1* ) 4.69 2.89 0
assign (resid 23 and name HG11 ) (resid 24 and name HN ) 5.5 3.7 0
assign (resid 15 and name HA ) (resid 15 and name HD1* ) 5.24 3.44 0
assign (resid 13 and name HN ) (resid 13 and name HD2* ) 5.4 3.6 0
assign (resid 20 and name HB2 ) (resid 20 and name HD2* ) 3.5 1.7 0
assign (resid 20 and name HB2 ) (resid 20 and name HD1* ) 3.5 1.7 0
assign (resid 20 and name HB1 ) (resid 20 and name HD1* ) 3.5 1.7 0
assign (resid 13 and name HB1 ) (resid 13 and name HD2* ) 2.53 0.73 0
assign (resid 13 and name HB1 ) (resid 13 and name HG ) 2.61 0.81 0
assign (resid 13 and name HB2 ) (resid 13 and name HD2* ) 3.22 1.42 0
assign (resid 13 and name HB2 ) (resid 13 and name HD1* ) 3.61 1.81 0
assign (resid 26 and name HB1 ) (resid 27 and name HN ) 4.63 2.83 0
assign (resid 9 and name HE* ) (resid 15 and name HA ) 5.03 3.23 0
assign (resid 9 and name HD* ) (resid 11 and name HB1 ) 4.34 2.54 0
assign (resid 9 and name HE* ) (resid 11 and name HG1 ) 4.21 2.41 0
assign (resid 6 and name HN ) (resid 7 and name HB2 ) 5.25 3.45 0
assign (resid 8 and name HA ) (resid 17 and name HN ) 5.49 3.69 0
assign (resid 8 and name HN ) (resid 17 and name HG2* ) 5.27 3.47 0
assign (resid 5 and name HG1 ) (resid 6 and name HN ) 5.5 3.7 0
assign (resid 5 and name HG2 ) (resid 6 and name HN ) 5.5 3.7 0
assign (resid 6 and name HN ) (resid 7 and name HD* ) 5.5 3.7 0
assign (resid 4 and name HN ) (resid 16 and name HB2 ) 5.04 3.24 0
assign (resid 7 and name HA ) (resid 18 and name HN ) 5.33 3.53 0
assign (resid 7 and name HB1 ) (resid 18 and name HN ) 5.5 3.7 0
assign (resid 14 and name HN ) (resid 17 and name HG2* ) 5.5 3.7 0
assign (resid 14 and name HN ) (resid 15 and name HG2* ) 4.61 2.81 0
assign (resid 18 and name HD1* ) (resid 19 and name HN ) 4.31 2.51 0
assign (resid 7 and name HN ) (resid 19 and name HG2* ) 4.63 2.83 0
assign (resid 20 and name HD2* ) (resid 21 and name HN ) 4.87 3.07 0
assign (resid 20 and name HB1 ) (resid 21 and name HN ) 4.23 2.43 0
assign (resid 21 and name HN ) (resid 23 and name HN ) 4.36 2.56 0
assign (resid 28 and name HN ) (resid 29 and name HD* ) 4.77 2.97 0
assign (resid 28 and name HN ) (resid 29 and name HE* ) 5.26 3.46 0
assign (resid 19 and name HN ) (resid 22 and name HB2 ) 4.99 3.19 0
assign (resid 10 and name HD21 ) (resid 12 and name HG2* ) 5.39 3.59 0
assign (resid 10 and name HD21 ) (resid 12 and name HN ) 4.42 2.62 0
assign (resid 30 and name HB1 ) (resid 31 and name HN ) 5.49 3.69 0
assign (resid 31 and name HN ) (resid 31 and name HD* ) 5.26 3.46 0
assign (resid 4 and name HB1 ) (resid 4 and name HE21 ) 5.5 3.7 0
assign (resid 9 and name HE* ) (resid 15 and name HG2* ) 5.5 3.7 0
assign (resid 2 and name HZ3 ) (resid 4 and name HG2 ) 5.5 3.7 0
assign (resid 5 and name HA ) (resid 6 and name HA2 ) 5.5 3.7 0
assign (resid 8 and name HA ) (resid 19 and name HG2* ) 4.62 2.82 0
assign (resid 8 and name HB* ) (resid 16 and name HA ) 5.36 3.56 0
assign (resid 7 and name HA ) (resid 18 and name HD1* ) 5.12 3.32 0   ! WAS 4.76
assign (resid 7 and name HA ) (resid 18 and name HG2* ) 5.04 3.24 0
assign (resid 18 and name HD1* ) (resid 22 and name HB2 ) 4.31 2.51 0
assign (resid 8 and name HB* ) (resid 19 and name HG2* ) 3.13 1.33 0
assign (resid 11 and name HA ) (resid 13 and name HN ) 5.07 3.27 0
assign (resid 13 and name HN ) (resid 14 and name HA2 ) 5.2 3.4 0
assign (resid 21 and name HN ) (resid 22 and name HN ) 3.29 1.49 0
assign (resid 18 and name HG2* ) (resid 20 and name HA ) 4.77 2.97 0
assign (resid 9 and name HD* ) (resid 15 and name HA ) 5.5 3.7 0
assign (resid 29 and name HA ) (resid 29 and name HE* ) 5.5 3.7 0
assign (resid 1 and name HG1 ) (resid 9 and name HD* ) 5.08 3.28 0
assign (resid 1 and name HG1 ) (resid 9 and name HE* ) 5.03 3.23 0
assign (resid 1 and name H ) (resid 2 and name HB2 ) 5.25 3.45 0
assign (resid 10 and name HB2 ) (resid 12 and name HN ) 5.32 3.52 0
assign (resid 24 and name HA ) (resid 25 and name HD2 ) 5.42 3.62 0
assign (resid 1 and name H ) (resid 2 and name HA ) 5.42 3.62 0
assign (resid 20 and name HN ) (resid 20 and name HB1 ) 3.47 1.67 0
assign (resid 13 and name HN ) (resid 13 and name HB2 ) 3.46 1.66 0
assign (resid 10 and name HD22 ) (resid 13 and name HB2 ) 4.4 2.6 0
assign (resid 10 and name HD21 ) (resid 13 and name HB2 ) 4.66 2.86 0
assign (resid 10 and name HB2 ) (resid 13 and name HD2* ) 4.13 2.33 0
assign (resid 10 and name HB1 ) (resid 13 and name HG ) 4.2 2.4 0
assign (resid 1 and name HB* ) (resid 2 and name HN ) 4.31 2.51 0
assign (resid 1 and name HB* ) (resid 9 and name HB2 ) 4.6 2.8 0
assign (resid 1 and name HB* ) (resid 9 and name HD* ) 4.27 2.47 0
assign (resid 2 and name HZ3 ) (resid 4 and name HG* ) 4.85 3.05 0
assign (resid 2 and name HZ2 ) (resid 5 and name HG* ) 5.14 3.34 0
assign (resid 2 and name HZ2 ) (resid 5 and name HD* ) 4.4 2.6 0
assign (resid 2 and name HH2 ) (resid 5 and name HD* ) 4.68 2.88 0
assign (resid 3 and name HN ) (resid 3 and name HB* ) 3.31 1.51 0
assign (resid 3 and name HB* ) (resid 4 and name HN ) 3.07 1.27 0
assign (resid 3 and name HB* ) (resid 7 and name HN ) 5.2 3.4 0
assign (resid 3 and name HB* ) (resid 7 and name HB2 ) 4.24 2.44 0
assign (resid 3 and name HB* ) (resid 8 and name HN ) 5.27 3.47 0
assign (resid 3 and name HB* ) (resid 8 and name HA ) 4.93 3.13 0
assign (resid 3 and name HB* ) (resid 9 and name HN ) 4.62 2.82 0
assign (resid 4 and name HN ) (resid 4 and name HE2* ) 5.34 3.54 0
assign (resid 4 and name HN ) (resid 16 and name HB* ) 4.34 2.54 0
assign (resid 4 and name HA ) (resid 4 and name HG* ) 3.63 1.83 0
assign (resid 4 and name HA ) (resid 5 and name HD* ) 2.77 0.97 0
assign (resid 4 and name HB2 ) (resid 5 and name HD* ) 3.65 1.85 0
assign (resid 4 and name HB1 ) (resid 4 and name HG* ) 2.6 0.8 0
assign (resid 4 and name HB1 ) (resid 5 and name HD* ) 4.1 2.3 0
assign (resid 2 and name HH2 ) (resid 4 and name HG* ) 3.9 2.1 0
assign (resid 4 and name HG* ) (resid 7 and name HB2 ) 4.6 2.8 0
assign (resid 4 and name HG* ) (resid 7 and name HD* ) 3.85 2.05 0
assign (resid 5 and name HB* ) (resid 6 and name HN ) 3.78 1.98 0
assign (resid 7 and name HN ) (resid 16 and name HB* ) 5.34 3.54 0
assign (resid 7 and name HA ) (resid 18 and name HG1* ) 4.71 2.91 0
assign (resid 7 and name HB2 ) (resid 16 and name HB* ) 4.96 3.16 0
assign (resid 7 and name HB1 ) (resid 16 and name HB* ) 3.55 1.75 0
assign (resid 7 and name HD* ) (resid 18 and name HG1* ) 4 2.2 0
assign (resid 7 and name HE* ) (resid 18 and name HG1* ) 4.42 2.62 0
assign (resid 8 and name HN ) (resid 16 and name HB* ) 4.12 2.32 0
assign (resid 9 and name HD* ) (resid 16 and name HB* ) 5.34 3.54 0
assign (resid 14 and name HN ) (resid 15 and name HG1* ) 5.34 3.54 0
assign (resid 15 and name HN ) (resid 15 and name HG1* ) 3.59 1.79 0
assign (resid 15 and name HG2* ) (resid 15 and name HG1* ) 3.07 1.27 0
assign (resid 15 and name HG1* ) (resid 16 and name HN ) 4.06 2.26 0
assign (resid 16 and name HN ) (resid 16 and name HB* ) 2.96 1.16 0
assign (resid 16 and name HB* ) (resid 17 and name HN ) 3.58 1.78 0
assign (resid 18 and name HN ) (resid 18 and name HG1* ) 3.84 2.04 0
assign (resid 18 and name HA ) (resid 18 and name HG1* ) 3.44 1.64 0
assign (resid 18 and name HG2* ) (resid 18 and name HG1* ) 3.33 1.53 0
assign (resid 18 and name HG2* ) (resid 22 and name HB* ) 3.88 2.08 0
assign (resid 18 and name HG2* ) (resid 22 and name HD* ) 4.89 3.09 0
assign (resid 18 and name HG1* ) (resid 22 and name HD* ) 4.6 2.8 0
assign (resid 18 and name HD1* ) (resid 22 and name HB* ) 3.69 1.89 0
assign (resid 18 and name HD1* ) (resid 22 and name HG* ) 3.81 2.01 0
assign (resid 18 and name HD1* ) (resid 22 and name HD* ) 4.34 2.54 0
assign (resid 19 and name HN ) (resid 22 and name HB* ) 4.18 2.38 0
assign (resid 19 and name HB ) (resid 20 and name HB* ) 5.34 3.54 0
assign (resid 19 and name HG2* ) (resid 21 and name HB* ) 4.72 2.92 0
assign (resid 20 and name HN ) (resid 20 and name HB* ) 2.81 1.01 0
assign (resid 20 and name HN ) (resid 20 and name HD** ) 3.68 1.88 0
assign (resid 20 and name HA ) (resid 20 and name HD** ) 3 1.2 0
assign (resid 20 and name HB* ) (resid 21 and name HN ) 3.43 1.63 0
assign (resid 20 and name HD** ) (resid 21 and name HN ) 4.16 2.36 0
assign (resid 20 and name HD** ) (resid 23 and name HN ) 5.01 3.21 0
assign (resid 21 and name HN ) (resid 21 and name HB* ) 2.99 1.19 0
assign (resid 21 and name HB* ) (resid 22 and name HN ) 3.81 2.01 0
assign (resid 21 and name HB* ) (resid 23 and name HN ) 5.34 3.54 0
assign (resid 22 and name HN ) (resid 22 and name HB* ) 2.86 1.06 0
assign (resid 22 and name HN ) (resid 22 and name HG* ) 4.44 2.64 0
assign (resid 22 and name HN ) (resid 22 and name HD* ) 5.34 3.54 0
assign (resid 22 and name HA ) (resid 22 and name HG* ) 3.32 1.52 0
assign (resid 22 and name HA ) (resid 22 and name HD* ) 4.62 2.82 0
assign (resid 22 and name HB* ) (resid 22 and name HE ) 4.35 2.55 0
assign (resid 22 and name HB* ) (resid 23 and name HN ) 4.2 2.4 0
assign (resid 22 and name HG* ) (resid 22 and name HE ) 3.52 1.72 0
assign (resid 22 and name HG* ) (resid 23 and name HN ) 4.36 2.56 0
assign (resid 23 and name HN ) (resid 23 and name HG1* ) 3.3 1.5 0
assign (resid 23 and name HG2* ) (resid 23 and name HG1* ) 3.09 1.29 0
assign (resid 23 and name HG1* ) (resid 24 and name HN ) 4.82 3.02 0
assign (resid 24 and name HN ) (resid 24 and name HB* ) 3.52 1.72 0
assign (resid 24 and name HN ) (resid 24 and name HG* ) 3.37 1.57 0
assign (resid 24 and name HB* ) (resid 25 and name HN ) 4.19 2.39 0
assign (resid 24 and name HB* ) (resid 25 and name HD2 ) 4.19 2.39 0  ! WAS 3.73
assign (resid 24 and name HB* ) (resid 25 and name HE1 ) 5.16 3.36 0
assign (resid 25 and name HN ) (resid 25 and name HB* ) 3.64 1.84 0
assign (resid 25 and name HN ) (resid 26 and name HD* ) 4.09 2.29 0
assign (resid 25 and name HB* ) (resid 26 and name HD* ) 4.4 2.6 0
assign (resid 25 and name HB* ) (resid 27 and name HN ) 5.16 3.36 0
assign (resid 25 and name HB* ) (resid 28 and name HN ) 4.85 3.05 0
assign (resid 25 and name HB* ) (resid 28 and name HD2* ) 4.6 2.8 0
assign (resid 25 and name HB* ) (resid 29 and name HD* ) 5.34 3.54 0
assign (resid 25 and name HB* ) (resid 29 and name HE* ) 4.64 2.84 0
assign (resid 26 and name HB* ) (resid 27 and name HN ) 3.84 2.04 0
assign (resid 26 and name HB* ) (resid 28 and name HN ) 5.27 3.47 0
assign (resid 26 and name HG* ) (resid 27 and name HN ) 3.77 1.97 0
assign (resid 26 and name HD* ) (resid 27 and name HN ) 4.31 2.51 0
assign (resid 27 and name HA* ) (resid 28 and name HN ) 2.99 1.19 0
assign (resid 27 and name HA* ) (resid 29 and name HN ) 4.6 2.8 0
assign (resid 28 and name HN ) (resid 28 and name HB* ) 3.31 1.51 0
assign (resid 28 and name HB* ) (resid 29 and name HD* ) 4.69 2.89 0
assign (resid 28 and name HB* ) (resid 29 and name HE* ) 5.03 3.23 0
assign (resid 29 and name HN ) (resid 29 and name HB* ) 3.37 1.57 0
assign (resid 29 and name HN ) (resid 30 and name HB* ) 5.28 3.48 0
assign (resid 30 and name HN ) (resid 30 and name HB* ) 3.37 1.57 0
assign (resid 2 and name HH2 ) (resid 4 and name HB2 ) 5.1 3.3 0
assign (resid 30 and name HN ) (resid 30 and name HB2 ) 3.86 2.06 0
assign (resid 21 and name HA ) (resid 25 and name HD2 ) 4.2 2.4 0
assign (resid 7 and name HD* ) (resid 17 and name HB ) 4.6 2.8 0
assign (resid 7 and name HB1 ) (resid 16 and name HN ) 5.3 3.5 0
assign (resid 23 and name HG2* ) (resid 25 and name HE1 ) 5.2 3.4 0
assign (resid 29 and name HD* ) (resid 31 and name HB* ) 5.3 3.5 0
assign (resid 12 and name HN ) (resid 13 and name HG ) 5.5 3.7 0        ! was 5.2
assign (resid 12 and name HN ) (resid 13 and name HB2 ) 5.2 3.4 0
assign (resid 3 and name SG ) (resid 16 and name SG ) 2.1 0.3 0
assign (resid 3 and name SG ) (resid 16 and name CB ) 3.1 1.3 0
assign (resid 3 and name CB ) (resid 16 and name SG ) 3.1 1.3 0
! PHI From 3Jna

assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    40.0  -120.0   40.0 2     
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    40.0  -60.0   30.0 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    40.0  -120.0   40.0 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    40.0  -120.0   40.0 2 
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    40.0  -60.0   30.0 2
assign (resid    12 and name C    ) (resid    13 and name N    )
       (resid    13 and name CA   ) (resid    13 and name C    )    40.0  -120.0   40.0 2     
assign (resid    14 and name C    ) (resid    15 and name N    )
       (resid    15 and name CA   ) (resid    15 and name C    )    40.0  -120.0   40.0 2
assign (resid    16 and name C    ) (resid    17 and name N    )
       (resid    17 and name CA   ) (resid    17 and name C    )    40.0  -120.0   40.0 2
assign (resid    17 and name C    ) (resid    18 and name N    )
       (resid    18 and name CA   ) (resid    18 and name C    )    40.0  -60.0   30.0 2      
assign (resid    18 and name C    ) (resid    19 and name N    )
       (resid    19 and name CA   ) (resid    19 and name C    )    40.0  -120.0   40.0 2
assign (resid    23 and name C    ) (resid    24 and name N    )
       (resid    24 and name CA   ) (resid    24 and name C    )    40.0  -120.0   40.0 2    
            
! 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 -115.3   32.6 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  132.4   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   90.6   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 -113.3   35.6 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  150.7   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 -118.8   42.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  147.0   30.4 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0  -73.5   29.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  125.8   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  -40.2   20.0 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -94.6   21.6 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0 -129.6   21.0 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0  -84.0   30.6 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  134.9   22.1 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0 -100.9   45.6 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  131.7   35.1 2
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0  -70.5   20.0 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  136.4   20.2 2
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0  -93.9   41.7 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  130.6   45.8 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.
assign (resid    9 and name C    ) (resid   10 and name N   )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -92.3   47.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  110.5   30.0 2



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PCA   1           HN       PCA   1   7.510  -2.393   5.711
    2    HA   PCA   1           HA       PCA   1   7.584  -2.371   3.097
    3    HB2  PCA   1           2HB      PCA   1   5.191  -3.937   2.728
    4    HB3  PCA   1           1HB      PCA   1   6.865  -4.368   2.260
    5    HG2  PCA   1           1HG      PCA   1   6.938  -5.881   3.958
    6    HG3  PCA   1           2HG      PCA   1   5.299  -5.389   4.492
    7    H    TRP   2           HN       TRP   2   7.013  -0.285   3.315
    8    HA   TRP   2           HA       TRP   2   4.451   0.504   4.261
    9    HB2  TRP   2           2HB      TRP   2   6.411   2.015   4.210
   10    HB3  TRP   2           1HB      TRP   2   6.352   2.009   2.447
   11    HD1  TRP   2           HD       TRP   2   4.516   3.318   5.514
   12    HE1  TRP   2           1HE      TRP   2   2.801   5.092   4.769
   13    HE3  TRP   2           3HE      TRP   2   4.843   2.783   0.448
   14    HZ2  TRP   2           2HZ      TRP   2   1.712   6.146   2.343
   15    HZ3  TRP   2           3HZ      TRP   2   3.458   4.185  -1.057
   16    HH2  TRP   2           HH       TRP   2   1.894   5.863  -0.116
   17    H    CYS   3           HN       CYS   3   2.540   0.686   3.245
   18    HA   CYS   3           HA       CYS   3   2.471   0.204   0.324
   19    HB2  CYS   3           2HB      CYS   3   0.464  -0.640   2.427
   20    HB3  CYS   3           1HB      CYS   3   0.269  -0.859   0.689
   21    H    GLN   4           HN       GLN   4   0.880   1.305  -0.878
   22    HA   GLN   4           HA       GLN   4   0.259   3.902   0.212
   23    HB2  GLN   4           2HB      GLN   4  -0.831   3.497  -2.412
   24    HB3  GLN   4           1HB      GLN   4   0.483   4.563  -1.922
   25    HG2  GLN   4           2HG      GLN   4   2.035   2.595  -2.009
   26    HG3  GLN   4           1HG      GLN   4   0.701   1.623  -2.632
   27   HE21  GLN   4          1HE2      GLN   4   1.013   1.368  -4.845
   28   HE22  GLN   4          2HE2      GLN   4   1.483   2.606  -5.907
   29    HA   PRO   5           HA       PRO   5  -4.055   3.423   1.043
   30    HB2  PRO   5           2HB      PRO   5  -4.865   5.316  -1.093
   31    HB3  PRO   5           1HB      PRO   5  -5.121   5.413   0.658
   32    HG2  PRO   5           2HG      PRO   5  -3.366   6.958  -0.632
   33    HG3  PRO   5           1HG      PRO   5  -3.116   6.421   1.034
   34    HD2  PRO   5           2HD      PRO   5  -1.785   5.483  -1.470
   35    HD3  PRO   5           1HD      PRO   5  -1.168   5.584   0.190
   36    H    GLY   6           HN       GLY   6  -5.645   2.037   0.443
   37    HA2  GLY   6           2HA      GLY   6  -7.072   0.808  -0.927
   38    HA3  GLY   6           1HA      GLY   6  -6.351   1.592  -2.328
   39    H    TYR   7           HN       TYR   7  -3.821   0.533  -0.527
   40    HA   TYR   7           HA       TYR   7  -3.736  -2.095  -1.874
   41    HB2  TYR   7           2HB      TYR   7  -1.604  -0.009  -1.589
   42    HB3  TYR   7           1HB      TYR   7  -1.184  -1.689  -1.838
   43    HD1  TYR   7           1HD      TYR   7  -3.461   0.947  -3.254
   44    HD2  TYR   7           2HD      TYR   7  -1.019  -2.505  -3.997
   45    HE1  TYR   7           1HE      TYR   7  -3.911   1.152  -5.684
   46    HE2  TYR   7           2HE      TYR   7  -1.480  -2.310  -6.427
   47    HH   TYR   7           HH       TYR   7  -3.156   0.474  -7.755
   48    H    ALA   8           HN       ALA   8  -2.180  -3.598  -0.843
   49    HA   ALA   8           HA       ALA   8  -1.727  -3.153   2.004
   50    HB1  ALA   8           1HB      ALA   8  -4.004  -4.483   1.245
   51    HB2  ALA   8           2HB      ALA   8  -3.179  -4.694   2.789
   52    HB3  ALA   8           3HB      ALA   8  -2.860  -5.809   1.461
   53    H    TYR   9           HN       TYR   9   0.080  -4.170   2.732
   54    HA   TYR   9           HA       TYR   9   2.030  -4.991   1.006
   55    HB2  TYR   9           2HB      TYR   9   2.559  -4.441   3.307
   56    HB3  TYR   9           1HB      TYR   9   1.638  -5.833   3.872
   57    HD1  TYR   9           2HD      TYR   9   4.087  -5.532   1.017
   58    HD2  TYR   9           1HD      TYR   9   3.160  -7.316   4.818
   59    HE1  TYR   9           2HE      TYR   9   6.084  -6.970   0.826
   60    HE2  TYR   9           1HE      TYR   9   5.168  -8.764   4.621
   61    HH   TYR   9           HH       TYR   9   7.435  -8.396   1.915
   62    H    ASN  10           HN       ASN  10   2.644  -6.845   0.043
   63    HA   ASN  10           HA       ASN  10   0.891  -9.194   0.420
   64    HB2  ASN  10           2HB      ASN  10   1.012  -7.755  -1.824
   65    HB3  ASN  10           1HB      ASN  10   2.365  -8.826  -2.118
   66   HD21  ASN  10          1HD2      ASN  10   1.922 -11.101  -2.421
   67   HD22  ASN  10          2HD2      ASN  10   0.344 -11.702  -2.577
   68    HA   PRO  11           HA       PRO  11   5.163 -10.510   1.658
   69    HB2  PRO  11           2HB      PRO  11   3.786 -12.545   3.228
   70    HB3  PRO  11           1HB      PRO  11   4.849 -11.248   3.784
   71    HG2  PRO  11           2HG      PRO  11   2.155 -11.350   4.216
   72    HG3  PRO  11           1HG      PRO  11   3.123  -9.872   4.231
   73    HD2  PRO  11           2HD      PRO  11   1.247 -10.873   2.157
   74    HD3  PRO  11           1HD      PRO  11   1.717  -9.210   2.554
   75    H    VAL  12           HN       VAL  12   2.735 -11.796  -0.207
   76    HA   VAL  12           HA       VAL  12   4.069 -14.403  -0.566
   77    HB   VAL  12           HB       VAL  12   1.406 -13.501  -1.680
   78   HG11  VAL  12          1HG1      VAL  12   1.076 -15.974  -1.879
   79   HG12  VAL  12          2HG1      VAL  12   2.744 -16.202  -1.355
   80   HG13  VAL  12          3HG1      VAL  12   2.403 -15.376  -2.875
   81   HG21  VAL  12          3HG2      VAL  12   2.006 -15.127   0.813
   82   HG22  VAL  12          1HG2      VAL  12   0.402 -14.764   0.175
   83   HG23  VAL  12          2HG2      VAL  12   1.415 -13.465   0.806
   84    H    LEU  13           HN       LEU  13   3.626 -11.336  -1.972
   85    HA   LEU  13           HA       LEU  13   4.656 -12.312  -4.553
   86    HB2  LEU  13           2HB      LEU  13   2.860 -11.175  -5.315
   87    HB3  LEU  13           1HB      LEU  13   2.689 -10.253  -3.839
   88    HG   LEU  13           HG       LEU  13   4.526  -8.767  -4.522
   89   HD11  LEU  13          1HD1      LEU  13   4.618  -9.529  -7.318
   90   HD12  LEU  13          2HD1      LEU  13   5.105 -10.896  -6.329
   91   HD13  LEU  13          3HD1      LEU  13   5.967  -9.367  -6.195
   92   HD21  LEU  13          3HD2      LEU  13   3.388  -7.732  -6.485
   93   HD22  LEU  13          1HD2      LEU  13   2.304  -8.103  -5.150
   94   HD23  LEU  13          2HD2      LEU  13   2.324  -9.139  -6.572
   95    H    GLY  14           HN       GLY  14   5.022  -9.850  -2.035
   96    HA2  GLY  14           2HA      GLY  14   7.372  -9.442  -1.323
   97    HA3  GLY  14           1HA      GLY  14   7.760  -9.320  -3.033
   98    H    ILE  15           HN       ILE  15   4.815  -7.867  -2.811
   99    HA   ILE  15           HA       ILE  15   5.763  -5.289  -1.813
  100    HB   ILE  15           HB       ILE  15   5.027  -4.119  -3.887
  101   HG12  ILE  15          2HG1      ILE  15   5.273  -6.682  -5.407
  102   HG13  ILE  15          1HG1      ILE  15   3.754  -6.387  -4.575
  103   HG21  ILE  15          1HG2      ILE  15   7.432  -4.817  -3.370
  104   HG22  ILE  15          2HG2      ILE  15   7.073  -4.501  -5.067
  105   HG23  ILE  15          3HG2      ILE  15   7.178  -6.162  -4.482
  106   HD11  ILE  15          3HD1      ILE  15   3.227  -4.555  -5.875
  107   HD12  ILE  15          1HD1      ILE  15   4.131  -5.516  -7.046
  108   HD13  ILE  15          2HD1      ILE  15   4.918  -4.172  -6.214
  109    H    CYS  16           HN       CYS  16   3.722  -3.664  -2.635
  110    HA   CYS  16           HA       CYS  16   1.471  -4.799  -1.173
  111    HB2  CYS  16           2HB      CYS  16   1.781  -1.988  -2.229
  112    HB3  CYS  16           1HB      CYS  16   0.702  -2.559  -0.960
  113    H    THR  17           HN       THR  17  -0.506  -5.082  -1.982
  114    HA   THR  17           HA       THR  17  -0.896  -4.623  -4.880
  115    HB   THR  17           HB       THR  17  -2.080  -6.758  -5.040
  116    HG1  THR  17           1HG      THR  17  -2.816  -7.273  -3.103
  117   HG21  THR  17          3HG2      THR  17   0.215  -6.867  -5.629
  118   HG22  THR  17          1HG2      THR  17  -0.057  -8.246  -4.565
  119   HG23  THR  17          2HG2      THR  17   0.728  -6.794  -3.944
  120    H    ILE  18           HN       ILE  18  -3.098  -4.343  -5.535
  121    HA   ILE  18           HA       ILE  18  -4.595  -2.721  -3.860
  122    HB   ILE  18           HB       ILE  18  -4.700  -2.969  -6.411
  123   HG12  ILE  18          2HG1      ILE  18  -7.428  -2.991  -5.141
  124   HG13  ILE  18          1HG1      ILE  18  -6.314  -1.673  -4.803
  125   HG21  ILE  18          1HG2      ILE  18  -6.109  -4.625  -7.319
  126   HG22  ILE  18          2HG2      ILE  18  -6.854  -4.969  -5.756
  127   HG23  ILE  18          3HG2      ILE  18  -5.199  -5.492  -6.082
  128   HD11  ILE  18          3HD1      ILE  18  -6.441  -0.830  -6.896
  129   HD12  ILE  18          1HD1      ILE  18  -7.999  -1.654  -6.900
  130   HD13  ILE  18          2HD1      ILE  18  -6.596  -2.417  -7.649
  131    H    THR  19           HN       THR  19  -6.066  -3.070  -2.343
  132    HA   THR  19           HA       THR  19  -6.557  -5.800  -1.490
  133    HB   THR  19           HB       THR  19  -6.194  -4.481   0.368
  134    HG1  THR  19           1HG      THR  19  -8.889  -3.851   0.321
  135   HG21  THR  19          3HG2      THR  19  -7.519  -2.186   0.485
  136   HG22  THR  19          1HG2      THR  19  -7.496  -2.349  -1.271
  137   HG23  THR  19          2HG2      THR  19  -5.980  -2.306  -0.366
  138    H    LEU  20           HN       LEU  20  -8.647  -6.690  -1.170
  139    HA   LEU  20           HA       LEU  20 -10.432  -6.346  -3.306
  140    HB2  LEU  20           2HB      LEU  20 -10.522  -7.791  -0.694
  141    HB3  LEU  20           1HB      LEU  20 -11.982  -7.652  -1.668
  142    HG   LEU  20           HG       LEU  20 -10.747  -8.587  -3.618
  143   HD11  LEU  20          1HD1      LEU  20  -8.482  -8.003  -3.173
  144   HD12  LEU  20          2HD1      LEU  20  -8.544  -9.755  -2.978
  145   HD13  LEU  20          3HD1      LEU  20  -8.536  -8.708  -1.557
  146   HD21  LEU  20          3HD2      LEU  20 -10.178 -10.811  -2.060
  147   HD22  LEU  20          1HD2      LEU  20 -11.735 -10.417  -2.788
  148   HD23  LEU  20          2HD2      LEU  20 -11.393  -9.936  -1.127
  149    H    SER  21           HN       SER  21 -10.191  -4.789  -0.219
  150    HA   SER  21           HA       SER  21 -12.801  -3.881   0.161
  151    HB2  SER  21           2HB      SER  21 -11.794  -2.076   1.480
  152    HB3  SER  21           1HB      SER  21 -11.001  -3.611   1.821
  153    HG   SER  21           HG       SER  21  -9.739  -1.540   1.251
  154    H    ARG  22           HN       ARG  22 -10.254  -2.676  -1.956
  155    HA   ARG  22           HA       ARG  22 -11.439  -0.209  -2.643
  156    HB2  ARG  22           2HB      ARG  22  -9.119  -0.613  -3.165
  157    HB3  ARG  22           1HB      ARG  22  -9.542  -1.985  -4.194
  158    HG2  ARG  22           2HG      ARG  22 -10.321  -0.647  -5.899
  159    HG3  ARG  22           1HG      ARG  22 -10.827   0.641  -4.808
  160    HD2  ARG  22           2HD      ARG  22  -7.915  -0.015  -5.222
  161    HD3  ARG  22           1HD      ARG  22  -8.764   1.091  -6.296
  162    HE   ARG  22           HE       ARG  22  -9.191   1.828  -3.582
  163   HH11  ARG  22          1HH2      ARG  22  -6.814   1.777  -6.096
  164   HH12  ARG  22          2HH2      ARG  22  -5.953   3.156  -5.498
  165   HH21  ARG  22          1HH1      ARG  22  -8.067   3.636  -2.793
  166   HH22  ARG  22          2HH1      ARG  22  -6.662   4.209  -3.629
  167    H    ILE  23           HN       ILE  23 -11.782  -3.453  -4.014
  168    HA   ILE  23           HA       ILE  23 -13.141  -2.976  -6.344
  169    HB   ILE  23           HB       ILE  23 -13.755  -5.116  -4.299
  170   HG12  ILE  23          2HG1      ILE  23 -12.013  -5.241  -6.776
  171   HG13  ILE  23          1HG1      ILE  23 -11.373  -4.929  -5.162
  172   HG21  ILE  23          1HG2      ILE  23 -14.260  -6.154  -6.790
  173   HG22  ILE  23          2HG2      ILE  23 -14.831  -4.495  -6.968
  174   HG23  ILE  23          3HG2      ILE  23 -15.493  -5.526  -5.698
  175   HD11  ILE  23          3HD1      ILE  23 -12.469  -7.073  -4.402
  176   HD12  ILE  23          1HD1      ILE  23 -11.173  -7.301  -5.577
  177   HD13  ILE  23          2HD1      ILE  23 -12.856  -7.402  -6.091
  178    H    GLU  24           HN       GLU  24 -15.343  -4.342  -4.087
  179    HA   GLU  24           HA       GLU  24 -17.052  -1.930  -4.230
  180    HB2  GLU  24           2HB      GLU  24 -17.830  -4.821  -4.635
  181    HB3  GLU  24           1HB      GLU  24 -18.996  -3.526  -4.364
  182    HG2  GLU  24           2HG      GLU  24 -18.219  -2.347  -6.350
  183    HG3  GLU  24           1HG      GLU  24 -16.944  -3.540  -6.593
  184    H    HIS  25           HN       HIS  25 -16.466  -1.314  -2.124
  185    HA   HIS  25           HA       HIS  25 -17.886  -2.791  -0.045
  186    HB2  HIS  25           2HB      HIS  25 -14.958  -2.092   0.274
  187    HB3  HIS  25           1HB      HIS  25 -15.988  -2.925   1.440
  188    HD2  HIS  25           2HD      HIS  25 -14.364  -3.672  -2.096
  189    HE1  HIS  25           1HE      HIS  25 -15.589  -7.323  -0.370
  190    HE2  HIS  25           2HE      HIS  25 -14.358  -6.272  -2.325
  191    HA   PRO  26           HA       PRO  26 -18.198   1.898  -0.044
  192    HB2  PRO  26           2HB      PRO  26 -20.927   1.064   0.828
  193    HB3  PRO  26           1HB      PRO  26 -20.442   2.319  -0.328
  194    HG2  PRO  26           2HG      PRO  26 -21.465   0.011  -1.153
  195    HG3  PRO  26           1HG      PRO  26 -20.168   0.820  -2.053
  196    HD2  PRO  26           2HD      PRO  26 -20.013  -1.596  -0.286
  197    HD3  PRO  26           1HD      PRO  26 -19.089  -1.207  -1.755
  198    H    GLY  27           HN       GLY  27 -19.361  -0.575   2.219
  199    HA2  GLY  27           2HA      GLY  27 -19.583   1.048   4.510
  200    HA3  GLY  27           1HA      GLY  27 -19.332  -0.695   4.517
  201    H    ASN  28           HN       ASN  28 -16.848  -0.764   3.167
  202    HA   ASN  28           HA       ASN  28 -15.059  -0.379   5.307
  203    HB2  ASN  28           2HB      ASN  28 -14.692  -2.011   3.490
  204    HB3  ASN  28           1HB      ASN  28 -14.418  -0.677   2.372
  205   HD21  ASN  28          1HD2      ASN  28 -12.567  -2.879   3.599
  206   HD22  ASN  28          2HD2      ASN  28 -11.221  -1.992   4.128
  207    H    TYR  29           HN       TYR  29 -15.643   1.510   2.376
  208    HA   TYR  29           HA       TYR  29 -14.204   3.766   3.636
  209    HB2  TYR  29           2HB      TYR  29 -13.293   4.432   1.522
  210    HB3  TYR  29           1HB      TYR  29 -12.903   2.728   1.760
  211    HD1  TYR  29           1HD      TYR  29 -14.455   0.986   0.731
  212    HD2  TYR  29           2HD      TYR  29 -14.535   5.137  -0.361
  213    HE1  TYR  29           1HE      TYR  29 -15.654   0.413  -1.357
  214    HE2  TYR  29           2HE      TYR  29 -15.731   4.562  -2.452
  215    HH   TYR  29           HH       TYR  29 -17.180   1.567  -2.984
  216    H    ASP  30           HN       ASP  30 -16.873   3.489   4.066
  217    HA   ASP  30           HA       ASP  30 -18.585   4.645   2.169
  218    HB2  ASP  30           2HB      ASP  30 -19.352   3.478   4.216
  219    HB3  ASP  30           1HB      ASP  30 -18.774   4.832   5.185
  220    H    TYR  31           HN       TYR  31 -16.640   6.140   4.735
  221    HA   TYR  31           HA       TYR  31 -17.467   8.722   4.748
  222    HB2  TYR  31           2HB      TYR  31 -15.606   8.079   6.111
  223    HB3  TYR  31           1HB      TYR  31 -14.635   7.668   4.695
  224    HD1  TYR  31           2HD      TYR  31 -16.398  10.524   6.346
  225    HD2  TYR  31           1HD      TYR  31 -13.278   9.294   3.663
  226    HE1  TYR  31           2HE      TYR  31 -15.579  12.861   6.227
  227    HE2  TYR  31           1HE      TYR  31 -12.458  11.633   3.545
  228    HH   TYR  31           HH       TYR  31 -14.102  14.192   4.241
  Start of MODEL    2
    1    H1   PCA   1           HN       PCA   1   7.659  -2.466   5.530
    2    HA   PCA   1           HA       PCA   1   7.748  -2.396   2.916
    3    HB2  PCA   1           2HB      PCA   1   5.314  -3.899   2.519
    4    HB3  PCA   1           1HB      PCA   1   6.976  -4.351   2.027
    5    HG2  PCA   1           1HG      PCA   1   7.057  -5.892   3.699
    6    HG3  PCA   1           2HG      PCA   1   5.410  -5.418   4.225
    7    H    TRP   2           HN       TRP   2   7.217  -0.307   3.105
    8    HA   TRP   2           HA       TRP   2   4.713   0.559   4.118
    9    HB2  TRP   2           2HB      TRP   2   6.716   2.012   3.961
   10    HB3  TRP   2           1HB      TRP   2   6.568   1.991   2.203
   11    HD1  TRP   2           HD       TRP   2   4.913   3.364   5.345
   12    HE1  TRP   2           1HE      TRP   2   3.215   5.181   4.669
   13    HE3  TRP   2           3HE      TRP   2   4.994   2.801   0.271
   14    HZ2  TRP   2           2HZ      TRP   2   2.045   6.256   2.289
   15    HZ3  TRP   2           3HZ      TRP   2   3.580   4.235  -1.176
   16    HH2  TRP   2           HH       TRP   2   2.106   5.958  -0.174
   17    H    CYS   3           HN       CYS   3   2.764   0.740   3.182
   18    HA   CYS   3           HA       CYS   3   2.572   0.262   0.263
   19    HB2  CYS   3           2HB      CYS   3   0.637  -0.563   2.437
   20    HB3  CYS   3           1HB      CYS   3   0.391  -0.792   0.707
   21    H    GLN   4           HN       GLN   4   0.932   1.394  -0.868
   22    HA   GLN   4           HA       GLN   4   0.296   3.952   0.312
   23    HB2  GLN   4           2HB      GLN   4  -0.839   3.643  -2.287
   24    HB3  GLN   4           1HB      GLN   4   0.513   4.666  -1.802
   25    HG2  GLN   4           2HG      GLN   4   2.027   2.694  -2.019
   26    HG3  GLN   4           1HG      GLN   4   0.661   1.743  -2.600
   27   HE21  GLN   4          1HE2      GLN   4   1.058   1.482  -4.814
   28   HE22  GLN   4          2HE2      GLN   4   1.410   2.757  -5.879
   29    HA   PRO   5           HA       PRO   5  -3.979   3.362   1.251
   30    HB2  PRO   5           2HB      PRO   5  -4.830   5.376  -0.752
   31    HB3  PRO   5           1HB      PRO   5  -5.063   5.364   1.005
   32    HG2  PRO   5           2HG      PRO   5  -3.324   6.994  -0.215
   33    HG3  PRO   5           1HG      PRO   5  -3.060   6.362   1.417
   34    HD2  PRO   5           2HD      PRO   5  -1.744   5.587  -1.149
   35    HD3  PRO   5           1HD      PRO   5  -1.122   5.565   0.513
   36    H    GLY   6           HN       GLY   6  -5.578   2.006   0.605
   37    HA2  GLY   6           2HA      GLY   6  -7.066   0.921  -0.840
   38    HA3  GLY   6           1HA      GLY   6  -6.275   1.709  -2.200
   39    H    TYR   7           HN       TYR   7  -3.773   0.565  -0.492
   40    HA   TYR   7           HA       TYR   7  -3.791  -2.062  -1.845
   41    HB2  TYR   7           2HB      TYR   7  -1.598  -0.058  -1.516
   42    HB3  TYR   7           1HB      TYR   7  -1.231  -1.742  -1.804
   43    HD1  TYR   7           2HD      TYR   7  -3.403   1.012  -3.137
   44    HD2  TYR   7           1HD      TYR   7  -1.107  -2.516  -3.991
   45    HE1  TYR   7           2HE      TYR   7  -3.852   1.307  -5.559
   46    HE2  TYR   7           1HE      TYR   7  -1.565  -2.226  -6.415
   47    HH   TYR   7           HH       TYR   7  -3.903  -0.021  -7.594
   48    H    ALA   8           HN       ALA   8  -2.328  -3.651  -0.846
   49    HA   ALA   8           HA       ALA   8  -1.902  -3.258   2.029
   50    HB1  ALA   8           1HB      ALA   8  -4.151  -4.402   1.561
   51    HB2  ALA   8           2HB      ALA   8  -3.051  -5.223   2.669
   52    HB3  ALA   8           3HB      ALA   8  -3.200  -5.780   1.002
   53    H    TYR   9           HN       TYR   9  -0.019  -4.100   2.712
   54    HA   TYR   9           HA       TYR   9   1.976  -4.907   1.024
   55    HB2  TYR   9           2HB      TYR   9   2.568  -4.298   3.239
   56    HB3  TYR   9           1HB      TYR   9   1.533  -5.544   3.931
   57    HD1  TYR   9           1HD      TYR   9   3.960  -5.767   1.066
   58    HD2  TYR   9           2HD      TYR   9   2.975  -7.011   5.061
   59    HE1  TYR   9           1HE      TYR   9   5.836  -7.361   1.024
   60    HE2  TYR   9           2HE      TYR   9   4.862  -8.616   5.020
   61    HH   TYR   9           HH       TYR   9   7.317  -8.508   2.734
   62    H    ASN  10           HN       ASN  10   2.598  -6.745   0.040
   63    HA   ASN  10           HA       ASN  10   0.984  -9.152   0.555
   64    HB2  ASN  10           2HB      ASN  10   0.993  -7.791  -1.744
   65    HB3  ASN  10           1HB      ASN  10   2.334  -8.880  -2.042
   66   HD21  ASN  10          1HD2      ASN  10   1.877 -11.179  -2.164
   67   HD22  ASN  10          2HD2      ASN  10   0.290 -11.766  -2.269
   68    HA   PRO  11           HA       PRO  11   5.298 -10.395   1.583
   69    HB2  PRO  11           2HB      PRO  11   4.608 -12.287   3.430
   70    HB3  PRO  11           1HB      PRO  11   4.776 -10.565   3.795
   71    HG2  PRO  11           2HG      PRO  11   2.342 -12.180   3.438
   72    HG3  PRO  11           1HG      PRO  11   2.618 -10.773   4.464
   73    HD2  PRO  11           2HD      PRO  11   1.270 -10.745   2.038
   74    HD3  PRO  11           1HD      PRO  11   1.962  -9.317   2.823
   75    H    VAL  12           HN       VAL  12   2.826 -11.819  -0.068
   76    HA   VAL  12           HA       VAL  12   4.211 -14.404  -0.388
   77    HB   VAL  12           HB       VAL  12   1.475 -13.594  -1.395
   78   HG11  VAL  12          1HG1      VAL  12   2.941 -16.236  -1.164
   79   HG12  VAL  12          2HG1      VAL  12   2.419 -15.438  -2.647
   80   HG13  VAL  12          3HG1      VAL  12   1.222 -16.098  -1.534
   81   HG21  VAL  12          3HG2      VAL  12   0.609 -14.899   0.509
   82   HG22  VAL  12          1HG2      VAL  12   1.590 -13.549   1.081
   83   HG23  VAL  12          2HG2      VAL  12   2.257 -15.181   1.072
   84    H    LEU  13           HN       LEU  13   3.618 -11.390  -1.875
   85    HA   LEU  13           HA       LEU  13   4.552 -12.431  -4.464
   86    HB2  LEU  13           2HB      LEU  13   2.708 -11.307  -5.182
   87    HB3  LEU  13           1HB      LEU  13   2.603 -10.345  -3.719
   88    HG   LEU  13           HG       LEU  13   4.419  -8.889  -4.516
   89   HD11  LEU  13          1HD1      LEU  13   5.786  -9.539  -6.221
   90   HD12  LEU  13          2HD1      LEU  13   4.403  -9.732  -7.298
   91   HD13  LEU  13          3HD1      LEU  13   4.916 -11.067  -6.277
   92   HD21  LEU  13          3HD2      LEU  13   2.169  -8.233  -5.071
   93   HD22  LEU  13          1HD2      LEU  13   2.154  -9.287  -6.482
   94   HD23  LEU  13          2HD2      LEU  13   3.213  -7.878  -6.440
   95    H    GLY  14           HN       GLY  14   4.983  -9.830  -2.079
   96    HA2  GLY  14           2HA      GLY  14   7.357  -9.423  -1.462
   97    HA3  GLY  14           1HA      GLY  14   7.693  -9.365  -3.186
   98    H    ILE  15           HN       ILE  15   4.724  -7.912  -2.724
   99    HA   ILE  15           HA       ILE  15   5.689  -5.297  -1.911
  100    HB   ILE  15           HB       ILE  15   4.878  -4.218  -4.016
  101   HG12  ILE  15          2HG1      ILE  15   5.143  -6.856  -5.418
  102   HG13  ILE  15          1HG1      ILE  15   3.632  -6.531  -4.580
  103   HG21  ILE  15          1HG2      ILE  15   7.064  -6.226  -4.601
  104   HG22  ILE  15          2HG2      ILE  15   7.314  -4.860  -3.517
  105   HG23  ILE  15          3HG2      ILE  15   6.912  -4.578  -5.210
  106   HD11  ILE  15          3HD1      ILE  15   4.005  -5.776  -7.106
  107   HD12  ILE  15          1HD1      ILE  15   4.729  -4.373  -6.320
  108   HD13  ILE  15          2HD1      ILE  15   3.052  -4.806  -5.981
  109    H    CYS  16           HN       CYS  16   3.676  -3.693  -2.605
  110    HA   CYS  16           HA       CYS  16   1.423  -4.820  -1.153
  111    HB2  CYS  16           2HB      CYS  16   1.662  -2.014  -2.223
  112    HB3  CYS  16           1HB      CYS  16   0.680  -2.595  -0.879
  113    H    THR  17           HN       THR  17  -0.580  -5.137  -1.956
  114    HA   THR  17           HA       THR  17  -0.983  -4.637  -4.846
  115    HB   THR  17           HB       THR  17  -2.185  -6.765  -5.007
  116    HG1  THR  17           1HG      THR  17  -2.151  -8.166  -3.244
  117   HG21  THR  17          3HG2      THR  17   0.626  -6.812  -3.925
  118   HG22  THR  17          1HG2      THR  17   0.101  -6.910  -5.605
  119   HG23  THR  17          2HG2      THR  17  -0.173  -8.269  -4.514
  120    H    ILE  18           HN       ILE  18  -3.143  -4.262  -5.496
  121    HA   ILE  18           HA       ILE  18  -4.653  -2.685  -3.768
  122    HB   ILE  18           HB       ILE  18  -4.691  -2.865  -6.357
  123   HG12  ILE  18          2HG1      ILE  18  -7.371  -2.648  -4.967
  124   HG13  ILE  18          1HG1      ILE  18  -6.135  -1.399  -4.820
  125   HG21  ILE  18          1HG2      ILE  18  -6.274  -4.348  -7.303
  126   HG22  ILE  18          2HG2      ILE  18  -7.001  -4.707  -5.736
  127   HG23  ILE  18          3HG2      ILE  18  -5.395  -5.332  -6.135
  128   HD11  ILE  18          3HD1      ILE  18  -6.545  -0.604  -6.866
  129   HD12  ILE  18          1HD1      ILE  18  -8.010  -1.582  -6.841
  130   HD13  ILE  18          2HD1      ILE  18  -6.541  -2.217  -7.581
  131    H    THR  19           HN       THR  19  -6.185  -3.086  -2.318
  132    HA   THR  19           HA       THR  19  -6.694  -5.847  -1.598
  133    HB   THR  19           HB       THR  19  -6.444  -4.622   0.329
  134    HG1  THR  19           1HG      THR  19  -8.635  -4.098   1.079
  135   HG21  THR  19          3HG2      THR  19  -7.675  -2.398  -1.263
  136   HG22  THR  19          1HG2      THR  19  -6.139  -2.427  -0.393
  137   HG23  THR  19          2HG2      THR  19  -7.657  -2.297   0.497
  138    H    LEU  20           HN       LEU  20  -8.646  -6.903  -1.691
  139    HA   LEU  20           HA       LEU  20 -10.399  -6.328  -3.785
  140    HB2  LEU  20           2HB      LEU  20 -10.332  -8.207  -1.523
  141    HB3  LEU  20           1HB      LEU  20 -11.937  -7.862  -2.173
  142    HG   LEU  20           HG       LEU  20 -11.146  -8.407  -4.446
  143   HD11  LEU  20          1HD1      LEU  20  -8.546  -8.431  -3.021
  144   HD12  LEU  20          2HD1      LEU  20  -8.903  -8.048  -4.705
  145   HD13  LEU  20          3HD1      LEU  20  -8.778  -9.730  -4.191
  146   HD21  LEU  20          3HD2      LEU  20 -11.316 -10.223  -2.214
  147   HD22  LEU  20          1HD2      LEU  20 -10.203 -10.850  -3.427
  148   HD23  LEU  20          2HD2      LEU  20 -11.861 -10.449  -3.875
  149    H    SER  21           HN       SER  21 -10.384  -5.260  -0.476
  150    HA   SER  21           HA       SER  21 -13.050  -4.487  -0.152
  151    HB2  SER  21           2HB      SER  21 -11.433  -4.471   1.693
  152    HB3  SER  21           1HB      SER  21 -10.552  -3.155   0.924
  153    HG   SER  21           HG       SER  21 -11.932  -2.229   2.376
  154    H    ARG  22           HN       ARG  22 -10.345  -2.830  -1.706
  155    HA   ARG  22           HA       ARG  22 -11.533  -0.320  -2.085
  156    HB2  ARG  22           2HB      ARG  22  -9.136  -0.796  -2.495
  157    HB3  ARG  22           1HB      ARG  22  -9.581  -1.744  -3.917
  158    HG2  ARG  22           2HG      ARG  22 -10.519   0.194  -5.007
  159    HG3  ARG  22           1HG      ARG  22 -10.362   1.163  -3.541
  160    HD2  ARG  22           2HD      ARG  22  -7.933   1.001  -3.657
  161    HD3  ARG  22           1HD      ARG  22  -8.044  -0.056  -5.054
  162    HE   ARG  22           HE       ARG  22  -9.407   2.273  -5.727
  163   HH11  ARG  22          1HH2      ARG  22  -6.225   1.305  -4.773
  164   HH12  ARG  22          2HH2      ARG  22  -5.427   2.564  -5.656
  165   HH21  ARG  22          1HH1      ARG  22  -8.368   3.927  -6.887
  166   HH22  ARG  22          2HH1      ARG  22  -6.641   4.048  -6.852
  167    H    ILE  23           HN       ILE  23 -11.724  -3.297  -3.984
  168    HA   ILE  23           HA       ILE  23 -13.095  -2.219  -6.208
  169    HB   ILE  23           HB       ILE  23 -13.295  -5.030  -5.145
  170   HG12  ILE  23          2HG1      ILE  23 -10.939  -4.436  -5.314
  171   HG13  ILE  23          1HG1      ILE  23 -11.365  -5.495  -6.658
  172   HG21  ILE  23          1HG2      ILE  23 -14.897  -4.536  -6.915
  173   HG22  ILE  23          2HG2      ILE  23 -13.616  -5.563  -7.558
  174   HG23  ILE  23          3HG2      ILE  23 -13.613  -3.833  -7.899
  175   HD11  ILE  23          3HD1      ILE  23 -10.166  -3.794  -7.741
  176   HD12  ILE  23          1HD1      ILE  23 -10.810  -2.536  -6.688
  177   HD13  ILE  23          2HD1      ILE  23 -11.825  -3.244  -7.938
  178    H    GLU  24           HN       GLU  24 -14.904  -4.741  -4.746
  179    HA   GLU  24           HA       GLU  24 -16.927  -2.952  -3.633
  180    HB2  GLU  24           2HB      GLU  24 -17.433  -4.746  -6.014
  181    HB3  GLU  24           1HB      GLU  24 -18.713  -4.019  -5.042
  182    HG2  GLU  24           2HG      GLU  24 -17.727  -1.766  -5.531
  183    HG3  GLU  24           1HG      GLU  24 -16.589  -2.547  -6.622
  184    H    HIS  25           HN       HIS  25 -16.017  -4.201  -1.773
  185    HA   HIS  25           HA       HIS  25 -17.684  -6.570  -1.328
  186    HB2  HIS  25           2HB      HIS  25 -14.689  -6.535  -0.910
  187    HB3  HIS  25           1HB      HIS  25 -15.774  -7.822  -0.383
  188    HD2  HIS  25           2HD      HIS  25 -14.145  -6.512  -3.677
  189    HE1  HIS  25           1HE      HIS  25 -16.444  -9.905  -4.657
  190    HE2  HIS  25           2HE      HIS  25 -14.749  -8.239  -5.540
  191    HA   PRO  26           HA       PRO  26 -17.439  -3.457   2.188
  192    HB2  PRO  26           2HB      PRO  26 -20.371  -3.918   2.157
  193    HB3  PRO  26           1HB      PRO  26 -19.469  -2.392   2.205
  194    HG2  PRO  26           2HG      PRO  26 -20.752  -3.175   0.011
  195    HG3  PRO  26           1HG      PRO  26 -19.201  -2.320  -0.074
  196    HD2  PRO  26           2HD      PRO  26 -19.759  -5.251  -0.434
  197    HD3  PRO  26           1HD      PRO  26 -18.639  -4.194  -1.321
  198    H    GLY  27           HN       GLY  27 -19.341  -6.416   1.766
  199    HA2  GLY  27           2HA      GLY  27 -19.802  -7.001   4.479
  200    HA3  GLY  27           1HA      GLY  27 -19.776  -8.182   3.174
  201    H    ASN  28           HN       ASN  28 -17.150  -7.972   2.309
  202    HA   ASN  28           HA       ASN  28 -15.793  -9.597   4.178
  203    HB2  ASN  28           2HB      ASN  28 -14.852  -8.116   1.728
  204    HB3  ASN  28           1HB      ASN  28 -13.812  -9.187   2.663
  205   HD21  ASN  28          1HD2      ASN  28 -15.065 -11.444   3.134
  206   HD22  ASN  28          2HD2      ASN  28 -15.790 -12.125   1.759
  207    H    TYR  29           HN       TYR  29 -15.572  -6.162   3.389
  208    HA   TYR  29           HA       TYR  29 -14.014  -5.772   5.873
  209    HB2  TYR  29           2HB      TYR  29 -13.509  -4.297   3.276
  210    HB3  TYR  29           1HB      TYR  29 -12.599  -4.142   4.781
  211    HD1  TYR  29           1HD      TYR  29 -13.358  -6.347   1.922
  212    HD2  TYR  29           2HD      TYR  29 -11.012  -5.838   5.483
  213    HE1  TYR  29           1HE      TYR  29 -11.915  -8.246   1.241
  214    HE2  TYR  29           2HE      TYR  29  -9.565  -7.732   4.801
  215    HH   TYR  29           HH       TYR  29  -9.358  -8.902   1.810
  216    H    ASP  30           HN       ASP  30 -16.327  -5.349   6.549
  217    HA   ASP  30           HA       ASP  30 -17.785  -3.131   5.608
  218    HB2  ASP  30           2HB      ASP  30 -18.716  -4.911   7.070
  219    HB3  ASP  30           1HB      ASP  30 -17.758  -4.277   8.408
  220    H    TYR  31           HN       TYR  31 -15.392  -3.428   8.213
  221    HA   TYR  31           HA       TYR  31 -15.502  -0.990   9.423
  222    HB2  TYR  31           2HB      TYR  31 -13.009  -2.477   8.563
  223    HB3  TYR  31           1HB      TYR  31 -13.043  -1.166   9.743
  224    HD1  TYR  31           2HD      TYR  31 -14.073  -1.465  11.941
  225    HD2  TYR  31           1HD      TYR  31 -13.985  -4.661   9.072
  226    HE1  TYR  31           2HE      TYR  31 -14.697  -3.078  13.718
  227    HE2  TYR  31           1HE      TYR  31 -14.608  -6.274  10.850
  228    HH   TYR  31           HH       TYR  31 -14.231  -5.987  13.804
  Start of MODEL    3
    1    H1   PCA   1           HN       PCA   1   8.326  -1.595   4.160
    2    HA   PCA   1           HA       PCA   1   6.812  -3.211   2.731
    3    HB2  PCA   1           2HB      PCA   1   5.065  -3.837   4.972
    4    HB3  PCA   1           1HB      PCA   1   6.041  -4.961   3.975
    5    HG2  PCA   1           1HG      PCA   1   7.555  -5.165   5.659
    6    HG3  PCA   1           2HG      PCA   1   6.584  -4.046   6.667
    7    H    TRP   2           HN       TRP   2   6.950  -0.445   3.410
    8    HA   TRP   2           HA       TRP   2   4.411   0.457   4.285
    9    HB2  TRP   2           2HB      TRP   2   6.418   1.896   4.226
   10    HB3  TRP   2           1HB      TRP   2   6.391   1.842   2.464
   11    HD1  TRP   2           HD       TRP   2   4.553   3.307   5.458
   12    HE1  TRP   2           1HE      TRP   2   2.921   5.123   4.631
   13    HE3  TRP   2           3HE      TRP   2   4.947   2.614   0.415
   14    HZ2  TRP   2           2HZ      TRP   2   1.916   6.148   2.155
   15    HZ3  TRP   2           3HZ      TRP   2   3.643   4.024  -1.155
   16    HH2  TRP   2           HH       TRP   2   2.129   5.788  -0.291
   17    H    CYS   3           HN       CYS   3   2.511   0.661   3.257
   18    HA   CYS   3           HA       CYS   3   2.455   0.180   0.335
   19    HB2  CYS   3           2HB      CYS   3   0.435  -0.682   2.417
   20    HB3  CYS   3           1HB      CYS   3   0.254  -0.890   0.675
   21    H    GLN   4           HN       GLN   4   0.799   1.245  -0.852
   22    HA   GLN   4           HA       GLN   4   0.138   3.833   0.267
   23    HB2  GLN   4           2HB      GLN   4  -0.904   3.474  -2.372
   24    HB3  GLN   4           1HB      GLN   4   0.410   4.526  -1.849
   25    HG2  GLN   4           2HG      GLN   4   1.962   2.576  -1.968
   26    HG3  GLN   4           1HG      GLN   4   0.636   1.595  -2.596
   27   HE21  GLN   4          1HE2      GLN   4   2.639   1.658  -4.349
   28   HE22  GLN   4          2HE2      GLN   4   2.382   2.776  -5.601
   29    HA   PRO   5           HA       PRO   5  -4.168   3.304   1.055
   30    HB2  PRO   5           2HB      PRO   5  -4.933   5.231  -1.067
   31    HB3  PRO   5           1HB      PRO   5  -5.250   5.287   0.677
   32    HG2  PRO   5           2HG      PRO   5  -3.455   6.870  -0.509
   33    HG3  PRO   5           1HG      PRO   5  -3.255   6.283   1.147
   34    HD2  PRO   5           2HD      PRO   5  -1.852   5.430  -1.347
   35    HD3  PRO   5           1HD      PRO   5  -1.282   5.466   0.334
   36    H    GLY   6           HN       GLY   6  -5.716   1.906   0.412
   37    HA2  GLY   6           2HA      GLY   6  -7.121   0.699  -1.004
   38    HA3  GLY   6           1HA      GLY   6  -6.387   1.518  -2.380
   39    H    TYR   7           HN       TYR   7  -3.891   0.429  -0.514
   40    HA   TYR   7           HA       TYR   7  -3.753  -2.178  -1.900
   41    HB2  TYR   7           2HB      TYR   7  -1.649  -0.072  -1.592
   42    HB3  TYR   7           1HB      TYR   7  -1.208  -1.740  -1.864
   43    HD1  TYR   7           2HD      TYR   7  -3.486   0.914  -3.225
   44    HD2  TYR   7           1HD      TYR   7  -1.051  -2.525  -4.040
   45    HE1  TYR   7           2HE      TYR   7  -3.944   1.168  -5.649
   46    HE2  TYR   7           1HE      TYR   7  -1.520  -2.282  -6.468
   47    HH   TYR   7           HH       TYR   7  -3.882   0.001  -7.662
   48    H    ALA   8           HN       ALA   8  -2.263  -3.697  -0.875
   49    HA   ALA   8           HA       ALA   8  -1.773  -3.234   1.973
   50    HB1  ALA   8           1HB      ALA   8  -2.693  -5.842   1.969
   51    HB2  ALA   8           2HB      ALA   8  -3.825  -5.022   0.895
   52    HB3  ALA   8           3HB      ALA   8  -3.593  -4.437   2.543
   53    H    TYR   9           HN       TYR   9   0.075  -4.158   2.670
   54    HA   TYR   9           HA       TYR   9   2.039  -4.972   0.966
   55    HB2  TYR   9           2HB      TYR   9   2.566  -4.383   3.246
   56    HB3  TYR   9           1HB      TYR   9   1.657  -5.769   3.845
   57    HD1  TYR   9           2HD      TYR   9   4.074  -5.526   0.966
   58    HD2  TYR   9           1HD      TYR   9   3.234  -7.204   4.833
   59    HE1  TYR   9           2HE      TYR   9   6.083  -6.945   0.782
   60    HE2  TYR   9           1HE      TYR   9   5.256  -8.631   4.645
   61    HH   TYR   9           HH       TYR   9   7.694  -8.095   2.599
   62    H    ASN  10           HN       ASN  10   2.688  -6.835   0.009
   63    HA   ASN  10           HA       ASN  10   0.995  -9.220   0.445
   64    HB2  ASN  10           2HB      ASN  10   1.056  -7.834  -1.836
   65    HB3  ASN  10           1HB      ASN  10   2.435  -8.872  -2.113
   66   HD21  ASN  10          1HD2      ASN  10   2.053 -11.166  -2.365
   67   HD22  ASN  10          2HD2      ASN  10   0.490 -11.806  -2.505
   68    HA   PRO  11           HA       PRO  11   5.283 -10.444   1.675
   69    HB2  PRO  11           2HB      PRO  11   3.955 -12.473   3.301
   70    HB3  PRO  11           1HB      PRO  11   4.995 -11.141   3.816
   71    HG2  PRO  11           2HG      PRO  11   2.300 -11.289   4.274
   72    HG3  PRO  11           1HG      PRO  11   3.241  -9.796   4.259
   73    HD2  PRO  11           2HD      PRO  11   1.377 -10.857   2.205
   74    HD3  PRO  11           1HD      PRO  11   1.825  -9.182   2.570
   75    H    VAL  12           HN       VAL  12   2.864 -11.789  -0.150
   76    HA   VAL  12           HA       VAL  12   4.229 -14.385  -0.483
   77    HB   VAL  12           HB       VAL  12   1.540 -13.538  -1.581
   78   HG11  VAL  12          1HG1      VAL  12   2.918 -16.218  -1.239
   79   HG12  VAL  12          2HG1      VAL  12   2.557 -15.413  -2.764
   80   HG13  VAL  12          3HG1      VAL  12   1.244 -16.016  -1.756
   81   HG21  VAL  12          3HG2      VAL  12   2.210 -15.101   0.935
   82   HG22  VAL  12          1HG2      VAL  12   0.587 -14.835   0.297
   83   HG23  VAL  12          2HG2      VAL  12   1.536 -13.470   0.891
   84    H    LEU  13           HN       LEU  13   3.761 -11.337  -1.918
   85    HA   LEU  13           HA       LEU  13   4.768 -12.348  -4.496
   86    HB2  LEU  13           2HB      LEU  13   2.942 -11.230  -5.271
   87    HB3  LEU  13           1HB      LEU  13   2.776 -10.288  -3.806
   88    HG   LEU  13           HG       LEU  13   4.607  -8.812  -4.512
   89   HD11  LEU  13          1HD1      LEU  13   4.705  -9.625  -7.303
   90   HD12  LEU  13          2HD1      LEU  13   5.188 -10.966  -6.277
   91   HD13  LEU  13          3HD1      LEU  13   6.044  -9.433  -6.173
   92   HD21  LEU  13          3HD2      LEU  13   3.469  -7.787  -6.476
   93   HD22  LEU  13          1HD2      LEU  13   2.374  -8.161  -5.151
   94   HD23  LEU  13          2HD2      LEU  13   2.419  -9.202  -6.570
   95    H    GLY  14           HN       GLY  14   5.098  -9.805  -2.047
   96    HA2  GLY  14           2HA      GLY  14   7.450  -9.396  -1.349
   97    HA3  GLY  14           1HA      GLY  14   7.834  -9.284  -3.061
   98    H    ILE  15           HN       ILE  15   4.868  -7.884  -2.789
   99    HA   ILE  15           HA       ILE  15   5.752  -5.273  -1.836
  100    HB   ILE  15           HB       ILE  15   5.041  -4.146  -3.942
  101   HG12  ILE  15          2HG1      ILE  15   5.304  -6.729  -5.424
  102   HG13  ILE  15          1HG1      ILE  15   3.784  -6.442  -4.590
  103   HG21  ILE  15          1HG2      ILE  15   7.202  -6.193  -4.484
  104   HG22  ILE  15          2HG2      ILE  15   7.443  -4.826  -3.397
  105   HG23  ILE  15          3HG2      ILE  15   7.094  -4.546  -5.103
  106   HD11  ILE  15          3HD1      ILE  15   4.945  -4.260  -6.282
  107   HD12  ILE  15          1HD1      ILE  15   3.258  -4.584  -5.876
  108   HD13  ILE  15          2HD1      ILE  15   4.093  -5.596  -7.058
  109    H    CYS  16           HN       CYS  16   3.730  -3.676  -2.588
  110    HA   CYS  16           HA       CYS  16   1.462  -4.852  -1.201
  111    HB2  CYS  16           2HB      CYS  16   1.731  -2.035  -2.238
  112    HB3  CYS  16           1HB      CYS  16   0.669  -2.629  -0.963
  113    H    THR  17           HN       THR  17  -0.528  -5.156  -2.038
  114    HA   THR  17           HA       THR  17  -0.869  -4.656  -4.936
  115    HB   THR  17           HB       THR  17  -2.008  -6.807  -5.160
  116    HG1  THR  17           1HG      THR  17  -1.103  -7.645  -2.675
  117   HG21  THR  17          3HG2      THR  17   0.003  -8.278  -4.657
  118   HG22  THR  17          1HG2      THR  17   0.753  -6.852  -3.941
  119   HG23  THR  17          2HG2      THR  17   0.326  -6.858  -5.651
  120    H    ILE  18           HN       ILE  18  -3.003  -4.270  -5.623
  121    HA   ILE  18           HA       ILE  18  -4.565  -2.711  -3.989
  122    HB   ILE  18           HB       ILE  18  -4.637  -3.057  -6.558
  123   HG12  ILE  18          2HG1      ILE  18  -7.411  -2.940  -5.452
  124   HG13  ILE  18          1HG1      ILE  18  -6.272  -1.728  -4.884
  125   HG21  ILE  18          1HG2      ILE  18  -6.853  -4.962  -5.839
  126   HG22  ILE  18          2HG2      ILE  18  -5.216  -5.545  -6.136
  127   HG23  ILE  18          3HG2      ILE  18  -6.094  -4.696  -7.407
  128   HD11  ILE  18          3HD1      ILE  18  -5.735  -1.177  -7.267
  129   HD12  ILE  18          1HD1      ILE  18  -7.402  -0.840  -6.821
  130   HD13  ILE  18          2HD1      ILE  18  -7.018  -2.281  -7.762
  131    H    THR  19           HN       THR  19  -6.223  -3.054  -2.576
  132    HA   THR  19           HA       THR  19  -6.678  -5.848  -1.779
  133    HB   THR  19           HB       THR  19  -6.060  -4.704   0.132
  134    HG1  THR  19           1HG      THR  19  -8.232  -3.989   1.073
  135   HG21  THR  19          3HG2      THR  19  -7.395  -2.385  -1.201
  136   HG22  THR  19          1HG2      THR  19  -5.776  -2.498  -0.513
  137   HG23  THR  19          2HG2      THR  19  -7.176  -2.355   0.549
  138    H    LEU  20           HN       LEU  20  -8.927  -6.280  -0.886
  139    HA   LEU  20           HA       LEU  20 -10.835  -5.990  -2.918
  140    HB2  LEU  20           2HB      LEU  20 -10.899  -7.805  -1.254
  141    HB3  LEU  20           1HB      LEU  20 -11.279  -6.634   0.008
  142    HG   LEU  20           HG       LEU  20 -13.035  -6.414  -2.330
  143   HD11  LEU  20          1HD1      LEU  20 -12.664  -8.848  -2.360
  144   HD12  LEU  20          2HD1      LEU  20 -14.301  -8.465  -1.830
  145   HD13  LEU  20          3HD1      LEU  20 -13.077  -8.932  -0.649
  146   HD21  LEU  20          3HD2      LEU  20 -13.297  -5.340  -0.048
  147   HD22  LEU  20          1HD2      LEU  20 -13.651  -6.945   0.590
  148   HD23  LEU  20          2HD2      LEU  20 -14.717  -6.220  -0.613
  149    H    SER  21           HN       SER  21 -10.117  -4.101  -0.081
  150    HA   SER  21           HA       SER  21 -12.362  -2.612   0.350
  151    HB2  SER  21           2HB      SER  21 -10.267  -2.291   1.602
  152    HB3  SER  21           1HB      SER  21  -9.539  -1.530   0.190
  153    HG   SER  21           HG       SER  21 -10.995   0.135   0.360
  154    H    ARG  22           HN       ARG  22 -10.237  -2.482  -2.413
  155    HA   ARG  22           HA       ARG  22 -10.895  -0.029  -3.530
  156    HB2  ARG  22           2HB      ARG  22  -9.193  -1.698  -4.389
  157    HB3  ARG  22           1HB      ARG  22 -10.532  -2.578  -5.118
  158    HG2  ARG  22           2HG      ARG  22 -11.127  -0.148  -6.071
  159    HG3  ARG  22           1HG      ARG  22  -9.394   0.090  -5.848
  160    HD2  ARG  22           2HD      ARG  22  -9.415  -0.782  -7.996
  161    HD3  ARG  22           1HD      ARG  22  -9.246  -2.253  -7.059
  162    HE   ARG  22           HE       ARG  22 -11.730  -1.315  -8.347
  163   HH11  ARG  22          1HH2      ARG  22  -9.917  -3.724  -6.643
  164   HH12  ARG  22          2HH2      ARG  22 -11.059  -4.985  -6.939
  165   HH21  ARG  22          1HH1      ARG  22 -13.231  -2.970  -8.736
  166   HH22  ARG  22          2HH1      ARG  22 -12.936  -4.562  -8.122
  167    H    ILE  23           HN       ILE  23 -12.718  -3.033  -3.452
  168    HA   ILE  23           HA       ILE  23 -14.617  -2.594  -5.415
  169    HB   ILE  23           HB       ILE  23 -14.970  -3.835  -2.681
  170   HG12  ILE  23          2HG1      ILE  23 -13.294  -4.938  -4.163
  171   HG13  ILE  23          1HG1      ILE  23 -14.703  -5.964  -3.912
  172   HG21  ILE  23          1HG2      ILE  23 -16.849  -5.021  -4.223
  173   HG22  ILE  23          2HG2      ILE  23 -16.852  -3.408  -4.930
  174   HG23  ILE  23          3HG2      ILE  23 -17.191  -3.616  -3.212
  175   HD11  ILE  23          3HD1      ILE  23 -15.501  -4.648  -6.145
  176   HD12  ILE  23          1HD1      ILE  23 -14.582  -6.145  -6.207
  177   HD13  ILE  23          2HD1      ILE  23 -13.767  -4.596  -6.384
  178    H    GLU  24           HN       GLU  24 -15.987  -2.362  -2.257
  179    HA   GLU  24           HA       GLU  24 -16.679   0.463  -2.658
  180    HB2  GLU  24           2HB      GLU  24 -18.678  -1.773  -2.256
  181    HB3  GLU  24           1HB      GLU  24 -19.065  -0.061  -2.092
  182    HG2  GLU  24           2HG      GLU  24 -18.347   0.330  -4.416
  183    HG3  GLU  24           1HG      GLU  24 -17.956  -1.378  -4.586
  184    H    HIS  25           HN       HIS  25 -14.896  -0.963  -0.804
  185    HA   HIS  25           HA       HIS  25 -16.202  -0.123   1.723
  186    HB2  HIS  25           2HB      HIS  25 -14.424  -2.546   1.401
  187    HB3  HIS  25           1HB      HIS  25 -15.206  -2.003   2.884
  188    HD2  HIS  25           2HD      HIS  25 -15.993  -4.247  -0.120
  189    HE1  HIS  25           1HE      HIS  25 -19.689  -3.471   1.764
  190    HE2  HIS  25           2HE      HIS  25 -18.517  -4.895   0.018
  191    HA   PRO  26           HA       PRO  26 -11.943   1.771   0.829
  192    HB2  PRO  26           2HB      PRO  26 -12.795   4.377   1.185
  193    HB3  PRO  26           1HB      PRO  26 -12.709   3.559  -0.387
  194    HG2  PRO  26           2HG      PRO  26 -15.053   4.008   1.389
  195    HG3  PRO  26           1HG      PRO  26 -14.939   4.099  -0.378
  196    HD2  PRO  26           2HD      PRO  26 -16.027   1.968   0.864
  197    HD3  PRO  26           1HD      PRO  26 -15.106   1.795  -0.647
  198    H    GLY  27           HN       GLY  27 -14.421   2.094   3.242
  199    HA2  GLY  27           2HA      GLY  27 -13.011   3.509   5.226
  200    HA3  GLY  27           1HA      GLY  27 -14.350   2.403   5.520
  201    H    ASN  28           HN       ASN  28 -13.110   0.078   4.372
  202    HA   ASN  28           HA       ASN  28 -11.865  -1.716   5.081
  203    HB2  ASN  28           2HB      ASN  28 -10.077  -0.140   4.205
  204    HB3  ASN  28           1HB      ASN  28  -9.792   0.322   5.882
  205   HD21  ASN  28          1HD2      ASN  28  -9.754  -2.499   3.674
  206   HD22  ASN  28          2HD2      ASN  28  -8.668  -3.408   4.609
  207    H    TYR  29           HN       TYR  29 -13.724  -0.809   6.936
  208    HA   TYR  29           HA       TYR  29 -14.303  -0.981   9.150
  209    HB2  TYR  29           2HB      TYR  29 -11.757  -2.559   9.509
  210    HB3  TYR  29           1HB      TYR  29 -13.290  -2.739  10.362
  211    HD1  TYR  29           2HD      TYR  29 -15.249  -3.760   9.251
  212    HD2  TYR  29           1HD      TYR  29 -11.431  -3.497   7.298
  213    HE1  TYR  29           2HE      TYR  29 -15.998  -5.411   7.558
  214    HE2  TYR  29           1HE      TYR  29 -12.181  -5.136   5.604
  215    HH   TYR  29           HH       TYR  29 -14.560  -7.168   5.944
  216    H    ASP  30           HN       ASP  30 -12.359   1.143   8.206
  217    HA   ASP  30           HA       ASP  30 -11.088   2.838   9.097
  218    HB2  ASP  30           2HB      ASP  30 -13.239   2.997  10.429
  219    HB3  ASP  30           1HB      ASP  30 -12.421   2.099  11.705
  220    H    TYR  31           HN       TYR  31  -9.777   0.357   8.928
  221    HA   TYR  31           HA       TYR  31  -7.837   0.676  11.111
  222    HB2  TYR  31           2HB      TYR  31  -9.226  -1.150  11.879
  223    HB3  TYR  31           1HB      TYR  31  -9.114  -1.948  10.310
  224    HD1  TYR  31           2HD      TYR  31  -7.054  -0.755  13.188
  225    HD2  TYR  31           1HD      TYR  31  -7.322  -3.405   9.818
  226    HE1  TYR  31           2HE      TYR  31  -4.965  -1.881  13.908
  227    HE2  TYR  31           1HE      TYR  31  -5.233  -4.531  10.538
  228    HH   TYR  31           HH       TYR  31  -3.945  -4.853  12.626
  Start of MODEL    4
    1    H1   PCA   1           HN       PCA   1   7.456  -2.328   5.740
    2    HA   PCA   1           HA       PCA   1   7.402  -2.499   3.136
    3    HB2  PCA   1           2HB      PCA   1   4.968  -4.022   2.964
    4    HB3  PCA   1           1HB      PCA   1   6.617  -4.548   2.501
    5    HG2  PCA   1           1HG      PCA   1   6.675  -5.917   4.317
    6    HG3  PCA   1           2HG      PCA   1   5.072  -5.315   4.848
    7    H    TRP   2           HN       TRP   2   6.906  -0.349   3.439
    8    HA   TRP   2           HA       TRP   2   4.343   0.492   4.318
    9    HB2  TRP   2           2HB      TRP   2   6.350   1.954   4.283
   10    HB3  TRP   2           1HB      TRP   2   6.289   1.956   2.521
   11    HD1  TRP   2           HD       TRP   2   4.479   3.283   5.594
   12    HE1  TRP   2           1HE      TRP   2   2.804   5.100   4.860
   13    HE3  TRP   2           3HE      TRP   2   4.801   2.781   0.523
   14    HZ2  TRP   2           2HZ      TRP   2   1.741   6.196   2.441
   15    HZ3  TRP   2           3HZ      TRP   2   3.447   4.224  -0.972
   16    HH2  TRP   2           HH       TRP   2   1.920   5.930  -0.020
   17    H    CYS   3           HN       CYS   3   2.446   0.610   3.283
   18    HA   CYS   3           HA       CYS   3   2.427   0.197   0.350
   19    HB2  CYS   3           2HB      CYS   3   0.408  -0.728   2.405
   20    HB3  CYS   3           1HB      CYS   3   0.239  -0.910   0.660
   21    H    GLN   4           HN       GLN   4   0.860   1.309  -0.853
   22    HA   GLN   4           HA       GLN   4   0.143   3.858   0.292
   23    HB2  GLN   4           2HB      GLN   4  -0.886   3.514  -2.353
   24    HB3  GLN   4           1HB      GLN   4   0.416   4.572  -1.817
   25    HG2  GLN   4           2HG      GLN   4   1.982   2.627  -1.943
   26    HG3  GLN   4           1HG      GLN   4   0.665   1.651  -2.595
   27   HE21  GLN   4          1HE2      GLN   4   1.072   1.423  -4.799
   28   HE22  GLN   4          2HE2      GLN   4   1.503   2.694  -5.838
   29    HA   PRO   5           HA       PRO   5  -4.181   3.298   1.035
   30    HB2  PRO   5           2HB      PRO   5  -4.944   5.223  -1.088
   31    HB3  PRO   5           1HB      PRO   5  -5.271   5.278   0.653
   32    HG2  PRO   5           2HG      PRO   5  -3.486   6.875  -0.530
   33    HG3  PRO   5           1HG      PRO   5  -3.292   6.299   1.131
   34    HD2  PRO   5           2HD      PRO   5  -1.857   5.452  -1.344
   35    HD3  PRO   5           1HD      PRO   5  -1.308   5.496   0.342
   36    H    GLY   6           HN       GLY   6  -5.735   1.899   0.367
   37    HA2  GLY   6           2HA      GLY   6  -7.120   0.690  -1.069
   38    HA3  GLY   6           1HA      GLY   6  -6.368   1.507  -2.434
   39    H    TYR   7           HN       TYR   7  -3.878   0.436  -0.580
   40    HA   TYR   7           HA       TYR   7  -3.734  -2.178  -1.953
   41    HB2  TYR   7           2HB      TYR   7  -1.632  -0.072  -1.626
   42    HB3  TYR   7           1HB      TYR   7  -1.192  -1.741  -1.899
   43    HD1  TYR   7           2HD      TYR   7  -3.443   0.924  -3.275
   44    HD2  TYR   7           1HD      TYR   7  -1.031  -2.536  -4.076
   45    HE1  TYR   7           2HE      TYR   7  -3.881   1.183  -5.702
   46    HE2  TYR   7           1HE      TYR   7  -1.480  -2.286  -6.506
   47    HH   TYR   7           HH       TYR   7  -2.210  -0.768  -8.088
   48    H    ALA   8           HN       ALA   8  -2.214  -3.685  -0.914
   49    HA   ALA   8           HA       ALA   8  -1.757  -3.229   1.939
   50    HB1  ALA   8           1HB      ALA   8  -3.950  -4.268   1.930
   51    HB2  ALA   8           2HB      ALA   8  -2.763  -5.442   2.501
   52    HB3  ALA   8           3HB      ALA   8  -3.382  -5.543   0.852
   53    H    TYR   9           HN       TYR   9   0.082  -4.171   2.655
   54    HA   TYR   9           HA       TYR   9   2.047  -5.006   0.961
   55    HB2  TYR   9           2HB      TYR   9   2.558  -4.418   3.252
   56    HB3  TYR   9           1HB      TYR   9   1.648  -5.811   3.835
   57    HD1  TYR   9           1HD      TYR   9   4.094  -5.535   0.977
   58    HD2  TYR   9           2HD      TYR   9   3.207  -7.266   4.810
   59    HE1  TYR   9           1HE      TYR   9   6.108  -6.945   0.801
   60    HE2  TYR   9           2HE      TYR   9   5.235  -8.688   4.629
   61    HH   TYR   9           HH       TYR   9   7.144  -8.790   1.672
   62    H    ASN  10           HN       ASN  10   2.682  -6.868   0.010
   63    HA   ASN  10           HA       ASN  10   0.969  -9.237   0.442
   64    HB2  ASN  10           2HB      ASN  10   1.044  -7.841  -1.830
   65    HB3  ASN  10           1HB      ASN  10   2.407  -8.894  -2.118
   66   HD21  ASN  10          1HD2      ASN  10   1.999 -11.164  -2.414
   67   HD22  ASN  10          2HD2      ASN  10   0.435 -11.799  -2.533
   68    HA   PRO  11           HA       PRO  11   5.260 -10.469   1.675
   69    HB2  PRO  11           2HB      PRO  11   3.917 -12.504   3.283
   70    HB3  PRO  11           1HB      PRO  11   4.966 -11.183   3.807
   71    HG2  PRO  11           2HG      PRO  11   2.275 -11.311   4.265
   72    HG3  PRO  11           1HG      PRO  11   3.220  -9.821   4.240
   73    HD2  PRO  11           2HD      PRO  11   1.356 -10.894   2.193
   74    HD3  PRO  11           1HD      PRO  11   1.793  -9.218   2.557
   75    H    VAL  12           HN       VAL  12   2.854 -11.812  -0.168
   76    HA   VAL  12           HA       VAL  12   4.233 -14.402  -0.501
   77    HB   VAL  12           HB       VAL  12   1.550 -13.566  -1.623
   78   HG11  VAL  12          1HG1      VAL  12   2.633 -15.455  -2.761
   79   HG12  VAL  12          2HG1      VAL  12   1.255 -16.024  -1.822
   80   HG13  VAL  12          3HG1      VAL  12   2.894 -16.256  -1.212
   81   HG21  VAL  12          3HG2      VAL  12   0.596 -14.882   0.258
   82   HG22  VAL  12          1HG2      VAL  12   1.484 -13.471   0.834
   83   HG23  VAL  12          2HG2      VAL  12   2.216 -15.074   0.928
   84    H    LEU  13           HN       LEU  13   3.690 -11.357  -1.946
   85    HA   LEU  13           HA       LEU  13   4.727 -12.346  -4.515
   86    HB2  LEU  13           2HB      LEU  13   2.897 -11.226  -5.274
   87    HB3  LEU  13           1HB      LEU  13   2.739 -10.284  -3.808
   88    HG   LEU  13           HG       LEU  13   4.567  -8.810  -4.521
   89   HD11  LEU  13          1HD1      LEU  13   4.619  -9.636  -7.319
   90   HD12  LEU  13          2HD1      LEU  13   5.150 -10.954  -6.287
   91   HD13  LEU  13          3HD1      LEU  13   5.980  -9.406  -6.222
   92   HD21  LEU  13          3HD2      LEU  13   2.344  -8.140  -5.135
   93   HD22  LEU  13          1HD2      LEU  13   2.351  -9.193  -6.547
   94   HD23  LEU  13          2HD2      LEU  13   3.416  -7.788  -6.484
   95    H    GLY  14           HN       GLY  14   5.078  -9.841  -2.032
   96    HA2  GLY  14           2HA      GLY  14   7.420  -9.415  -1.339
   97    HA3  GLY  14           1HA      GLY  14   7.814  -9.320  -3.048
   98    H    ILE  15           HN       ILE  15   4.849  -7.890  -2.791
   99    HA   ILE  15           HA       ILE  15   5.759  -5.284  -1.850
  100    HB   ILE  15           HB       ILE  15   5.052  -4.157  -3.957
  101   HG12  ILE  15          2HG1      ILE  15   5.302  -6.741  -5.441
  102   HG13  ILE  15          1HG1      ILE  15   3.785  -6.454  -4.601
  103   HG21  ILE  15          1HG2      ILE  15   7.105  -4.562  -5.110
  104   HG22  ILE  15          2HG2      ILE  15   7.198  -6.216  -4.509
  105   HG23  ILE  15          3HG2      ILE  15   7.450  -4.863  -3.407
  106   HD11  ILE  15          3HD1      ILE  15   4.931  -4.261  -6.286
  107   HD12  ILE  15          1HD1      ILE  15   3.246  -4.611  -5.893
  108   HD13  ILE  15          2HD1      ILE  15   4.103  -5.605  -7.073
  109    H    CYS  16           HN       CYS  16   3.747  -3.669  -2.611
  110    HA   CYS  16           HA       CYS  16   1.481  -4.806  -1.200
  111    HB2  CYS  16           2HB      CYS  16   1.785  -2.010  -2.279
  112    HB3  CYS  16           1HB      CYS  16   0.700  -2.571  -1.012
  113    H    THR  17           HN       THR  17  -0.504  -5.123  -2.016
  114    HA   THR  17           HA       THR  17  -0.870  -4.665  -4.920
  115    HB   THR  17           HB       THR  17  -2.051  -6.803  -5.080
  116    HG1  THR  17           1HG      THR  17  -2.509  -7.922  -3.359
  117   HG21  THR  17          3HG2      THR  17   0.272  -6.890  -5.620
  118   HG22  THR  17          1HG2      THR  17  -0.050  -8.290  -4.598
  119   HG23  THR  17          2HG2      THR  17   0.733  -6.863  -3.919
  120    H    ILE  18           HN       ILE  18  -3.030  -4.325  -5.598
  121    HA   ILE  18           HA       ILE  18  -4.553  -2.708  -3.960
  122    HB   ILE  18           HB       ILE  18  -4.640  -2.986  -6.506
  123   HG12  ILE  18          2HG1      ILE  18  -7.386  -2.999  -5.291
  124   HG13  ILE  18          1HG1      ILE  18  -6.276  -1.700  -4.886
  125   HG21  ILE  18          1HG2      ILE  18  -5.121  -5.506  -6.192
  126   HG22  ILE  18          2HG2      ILE  18  -6.065  -4.645  -7.408
  127   HG23  ILE  18          3HG2      ILE  18  -6.778  -5.011  -5.836
  128   HD11  ILE  18          3HD1      ILE  18  -7.085  -2.501  -7.682
  129   HD12  ILE  18          1HD1      ILE  18  -5.963  -1.208  -7.263
  130   HD13  ILE  18          2HD1      ILE  18  -7.660  -1.082  -6.806
  131    H    THR  19           HN       THR  19  -6.056  -3.052  -2.436
  132    HA   THR  19           HA       THR  19  -6.606  -5.825  -1.686
  133    HB   THR  19           HB       THR  19  -5.996  -4.665   0.223
  134    HG1  THR  19           1HG      THR  19  -7.773  -5.270   1.135
  135   HG21  THR  19          3HG2      THR  19  -7.369  -2.354  -1.112
  136   HG22  THR  19          1HG2      THR  19  -5.725  -2.461  -0.482
  137   HG23  THR  19          2HG2      THR  19  -7.085  -2.318   0.630
  138    H    LEU  20           HN       LEU  20  -8.872  -6.311  -0.901
  139    HA   LEU  20           HA       LEU  20 -10.733  -5.894  -2.961
  140    HB2  LEU  20           2HB      LEU  20 -11.024  -6.950  -0.173
  141    HB3  LEU  20           1HB      LEU  20 -12.322  -6.940  -1.352
  142    HG   LEU  20           HG       LEU  20  -9.627  -8.246  -1.803
  143   HD11  LEU  20          1HD1      LEU  20 -12.270  -9.596  -1.367
  144   HD12  LEU  20          2HD1      LEU  20 -11.161  -9.256  -0.042
  145   HD13  LEU  20          3HD1      LEU  20 -10.665 -10.319  -1.356
  146   HD21  LEU  20          3HD2      LEU  20 -12.026  -7.761  -3.489
  147   HD22  LEU  20          1HD2      LEU  20 -11.364  -9.392  -3.571
  148   HD23  LEU  20          2HD2      LEU  20 -10.348  -8.005  -3.965
  149    H    SER  21           HN       SER  21 -10.019  -4.180  -0.057
  150    HA   SER  21           HA       SER  21 -12.450  -2.824   0.344
  151    HB2  SER  21           2HB      SER  21 -11.154  -1.238   1.654
  152    HB3  SER  21           1HB      SER  21 -10.570  -2.867   1.976
  153    HG   SER  21           HG       SER  21  -9.060  -0.973   1.363
  154    H    ARG  22           HN       ARG  22 -10.097  -2.556  -2.121
  155    HA   ARG  22           HA       ARG  22 -10.194   0.114  -2.857
  156    HB2  ARG  22           2HB      ARG  22  -9.533  -0.604  -5.056
  157    HB3  ARG  22           1HB      ARG  22  -8.755  -1.671  -3.889
  158    HG2  ARG  22           2HG      ARG  22  -9.652  -3.371  -5.091
  159    HG3  ARG  22           1HG      ARG  22 -11.177  -2.930  -4.340
  160    HD2  ARG  22           2HD      ARG  22 -11.633  -2.933  -6.669
  161    HD3  ARG  22           1HD      ARG  22 -11.444  -1.233  -6.249
  162    HE   ARG  22           HE       ARG  22  -8.949  -2.351  -7.056
  163   HH11  ARG  22          1HH2      ARG  22 -12.023  -1.268  -8.215
  164   HH12  ARG  22          2HH2      ARG  22 -11.434  -0.831  -9.783
  165   HH21  ARG  22          1HH1      ARG  22  -8.167  -1.779  -9.110
  166   HH22  ARG  22          2HH1      ARG  22  -9.250  -1.119 -10.290
  167    H    ILE  23           HN       ILE  23 -12.663  -2.286  -2.993
  168    HA   ILE  23           HA       ILE  23 -14.270  -1.331  -5.087
  169    HB   ILE  23           HB       ILE  23 -15.065  -2.659  -2.491
  170   HG12  ILE  23          2HG1      ILE  23 -14.808  -3.840  -5.269
  171   HG13  ILE  23          1HG1      ILE  23 -13.491  -3.868  -4.098
  172   HG21  ILE  23          1HG2      ILE  23 -17.123  -1.898  -3.197
  173   HG22  ILE  23          2HG2      ILE  23 -17.013  -3.337  -4.211
  174   HG23  ILE  23          3HG2      ILE  23 -16.606  -1.758  -4.878
  175   HD11  ILE  23          3HD1      ILE  23 -16.259  -4.985  -3.573
  176   HD12  ILE  23          1HD1      ILE  23 -14.851  -5.119  -2.518
  177   HD13  ILE  23          2HD1      ILE  23 -14.874  -5.958  -4.069
  178    H    GLU  24           HN       GLU  24 -15.749  -1.061  -1.985
  179    HA   GLU  24           HA       GLU  24 -15.906   1.872  -2.239
  180    HB2  GLU  24           2HB      GLU  24 -18.224   0.002  -1.692
  181    HB3  GLU  24           1HB      GLU  24 -18.299   1.763  -1.618
  182    HG2  GLU  24           2HG      GLU  24 -17.417   0.256  -4.082
  183    HG3  GLU  24           1HG      GLU  24 -19.078   0.745  -3.806
  184    H    HIS  25           HN       HIS  25 -14.157   0.492  -0.535
  185    HA   HIS  25           HA       HIS  25 -15.319   1.206   2.092
  186    HB2  HIS  25           2HB      HIS  25 -13.493  -1.153   1.593
  187    HB3  HIS  25           1HB      HIS  25 -14.255  -0.704   3.118
  188    HD2  HIS  25           2HD      HIS  25 -15.136  -2.612  -0.147
  189    HE1  HIS  25           1HE      HIS  25 -18.653  -2.433   2.177
  190    HE2  HIS  25           2HE      HIS  25 -17.590  -3.465   0.118
  191    HA   PRO  26           HA       PRO  26 -11.104   3.118   1.317
  192    HB2  PRO  26           2HB      PRO  26 -11.859   5.724   1.157
  193    HB3  PRO  26           1HB      PRO  26 -11.828   4.648  -0.254
  194    HG2  PRO  26           2HG      PRO  26 -14.137   5.545   1.395
  195    HG3  PRO  26           1HG      PRO  26 -14.021   5.300  -0.355
  196    HD2  PRO  26           2HD      PRO  26 -15.179   3.483   1.369
  197    HD3  PRO  26           1HD      PRO  26 -14.479   3.058  -0.208
  198    H    GLY  27           HN       GLY  27 -13.700   3.421   3.507
  199    HA2  GLY  27           2HA      GLY  27 -12.760   5.321   5.346
  200    HA3  GLY  27           1HA      GLY  27 -13.836   3.986   5.733
  201    H    ASN  28           HN       ASN  28 -12.104   1.855   5.052
  202    HA   ASN  28           HA       ASN  28 -10.669   1.547   7.458
  203    HB2  ASN  28           2HB      ASN  28 -10.589   0.029   4.851
  204    HB3  ASN  28           1HB      ASN  28  -9.669  -0.456   6.274
  205   HD21  ASN  28          1HD2      ASN  28 -11.778  -2.088   5.158
  206   HD22  ASN  28          2HD2      ASN  28 -13.033  -2.161   6.299
  207    H    TYR  29           HN       TYR  29  -9.680   2.540   4.228
  208    HA   TYR  29           HA       TYR  29  -6.905   2.856   5.165
  209    HB2  TYR  29           2HB      TYR  29  -8.079   2.830   2.378
  210    HB3  TYR  29           1HB      TYR  29  -6.375   3.105   2.744
  211    HD1  TYR  29           2HD      TYR  29  -9.142   0.647   2.938
  212    HD2  TYR  29           1HD      TYR  29  -4.924   1.310   3.404
  213    HE1  TYR  29           2HE      TYR  29  -8.774  -1.801   3.075
  214    HE2  TYR  29           1HE      TYR  29  -4.554  -1.140   3.538
  215    HH   TYR  29           HH       TYR  29  -7.017  -3.342   4.068
  216    H    ASP  30           HN       ASP  30  -9.373   4.677   5.559
  217    HA   ASP  30           HA       ASP  30  -8.619   7.101   4.155
  218    HB2  ASP  30           2HB      ASP  30 -10.976   6.632   4.674
  219    HB3  ASP  30           1HB      ASP  30 -10.605   6.659   6.397
  220    H    TYR  31           HN       TYR  31  -6.370   7.002   5.014
  221    HA   TYR  31           HA       TYR  31  -6.177   8.047   7.771
  222    HB2  TYR  31           2HB      TYR  31  -4.876   6.044   7.518
  223    HB3  TYR  31           1HB      TYR  31  -4.154   6.635   6.020
  224    HD1  TYR  31           2HD      TYR  31  -4.411   7.302   9.680
  225    HD2  TYR  31           1HD      TYR  31  -2.231   8.026   6.050
  226    HE1  TYR  31           2HE      TYR  31  -2.609   8.403  10.982
  227    HE2  TYR  31           1HE      TYR  31  -0.430   9.127   7.351
  228    HH   TYR  31           HH       TYR  31   0.255   8.783  10.195
  Start of MODEL    5
    1    H1   PCA   1           HN       PCA   1   6.841  -2.125   6.630
    2    HA   PCA   1           HA       PCA   1   7.331  -2.273   4.054
    3    HB2  PCA   1           2HB      PCA   1   4.951  -3.829   3.476
    4    HB3  PCA   1           1HB      PCA   1   6.662  -4.274   3.191
    5    HG2  PCA   1           1HG      PCA   1   6.606  -5.688   4.973
    6    HG3  PCA   1           2HG      PCA   1   4.893  -5.250   5.266
    7    H    TRP   2           HN       TRP   2   6.791  -0.172   4.030
    8    HA   TRP   2           HA       TRP   2   4.154   0.739   4.565
    9    HB2  TRP   2           2HB      TRP   2   6.131   2.211   4.668
   10    HB3  TRP   2           1HB      TRP   2   6.334   2.049   2.924
   11    HD1  TRP   2           HD       TRP   2   4.115   3.670   5.557
   12    HE1  TRP   2           1HE      TRP   2   2.581   5.396   4.409
   13    HE3  TRP   2           3HE      TRP   2   5.151   2.654   0.662
   14    HZ2  TRP   2           2HZ      TRP   2   1.886   6.235   1.765
   15    HZ3  TRP   2           3HZ      TRP   2   4.040   3.932  -1.151
   16    HH2  TRP   2           HH       TRP   2   2.410   5.718  -0.606
   17    H    CYS   3           HN       CYS   3   2.395   0.831   3.316
   18    HA   CYS   3           HA       CYS   3   2.691   0.254   0.429
   19    HB2  CYS   3           2HB      CYS   3   0.581  -0.717   2.361
   20    HB3  CYS   3           1HB      CYS   3   0.426  -0.838   0.609
   21    H    GLN   4           HN       GLN   4   1.290   1.298  -0.970
   22    HA   GLN   4           HA       GLN   4   0.512   3.915  -0.243
   23    HB2  GLN   4           2HB      GLN   4  -0.728   3.118  -2.678
   24    HB3  GLN   4           1HB      GLN   4   0.679   4.155  -2.470
   25    HG2  GLN   4           2HG      GLN   4   2.120   2.136  -2.378
   26    HG3  GLN   4           1HG      GLN   4   0.697   1.128  -2.646
   27   HE21  GLN   4          1HE2      GLN   4   0.721   0.438  -4.781
   28   HE22  GLN   4          2HE2      GLN   4   1.096   1.419  -6.115
   29    HA   PRO   5           HA       PRO   5  -3.629   3.357   1.052
   30    HB2  PRO   5           2HB      PRO   5  -4.982   5.300  -0.387
   31    HB3  PRO   5           1HB      PRO   5  -4.037   5.607   1.082
   32    HG2  PRO   5           2HG      PRO   5  -3.323   6.054  -1.761
   33    HG3  PRO   5           1HG      PRO   5  -2.876   6.973  -0.315
   34    HD2  PRO   5           2HD      PRO   5  -1.172   5.251  -1.588
   35    HD3  PRO   5           1HD      PRO   5  -1.054   5.613   0.143
   36    H    GLY   6           HN       GLY   6  -5.348   2.120   0.578
   37    HA2  GLY   6           2HA      GLY   6  -6.985   1.051  -0.701
   38    HA3  GLY   6           1HA      GLY   6  -6.285   1.767  -2.152
   39    H    TYR   7           HN       TYR   7  -3.706   0.606  -0.541
   40    HA   TYR   7           HA       TYR   7  -3.863  -2.047  -1.827
   41    HB2  TYR   7           2HB      TYR   7  -1.604  -0.081  -1.666
   42    HB3  TYR   7           1HB      TYR   7  -1.286  -1.792  -1.893
   43    HD1  TYR   7           2HD      TYR   7  -3.601   0.849  -3.253
   44    HD2  TYR   7           1HD      TYR   7  -1.127  -2.564  -4.069
   45    HE1  TYR   7           2HE      TYR   7  -4.146   1.030  -5.664
   46    HE2  TYR   7           1HE      TYR   7  -1.680  -2.391  -6.480
   47    HH   TYR   7           HH       TYR   7  -2.431  -0.631  -8.065
   48    H    ALA   8           HN       ALA   8  -2.317  -3.631  -0.850
   49    HA   ALA   8           HA       ALA   8  -1.804  -3.193   1.999
   50    HB1  ALA   8           1HB      ALA   8  -3.261  -4.736   2.752
   51    HB2  ALA   8           2HB      ALA   8  -2.855  -5.866   1.461
   52    HB3  ALA   8           3HB      ALA   8  -4.043  -4.594   1.178
   53    H    TYR   9           HN       TYR   9   0.040  -4.160   2.687
   54    HA   TYR   9           HA       TYR   9   1.981  -4.960   0.913
   55    HB2  TYR   9           2HB      TYR   9   2.563  -4.322   3.179
   56    HB3  TYR   9           1HB      TYR   9   1.691  -5.712   3.819
   57    HD1  TYR   9           2HD      TYR   9   4.071  -5.431   0.906
   58    HD2  TYR   9           1HD      TYR   9   3.251  -7.156   4.755
   59    HE1  TYR   9           2HE      TYR   9   6.094  -6.835   0.705
   60    HE2  TYR   9           1HE      TYR   9   5.282  -8.568   4.551
   61    HH   TYR   9           HH       TYR   9   7.708  -8.038   2.752
   62    H    ASN  10           HN       ASN  10   2.607  -6.823  -0.019
   63    HA   ASN  10           HA       ASN  10   0.925  -9.202   0.475
   64    HB2  ASN  10           2HB      ASN  10   0.941  -7.829  -1.809
   65    HB3  ASN  10           1HB      ASN  10   2.321  -8.867  -2.113
   66   HD21  ASN  10          1HD2      ASN  10   1.936 -11.159  -2.352
   67   HD22  ASN  10          2HD2      ASN  10   0.374 -11.814  -2.439
   68    HA   PRO  11           HA       PRO  11   5.260 -10.388   1.614
   69    HB2  PRO  11           2HB      PRO  11   3.993 -12.418   3.285
   70    HB3  PRO  11           1HB      PRO  11   5.027 -11.070   3.773
   71    HG2  PRO  11           2HG      PRO  11   2.349 -11.251   4.283
   72    HG3  PRO  11           1HG      PRO  11   3.268  -9.742   4.237
   73    HD2  PRO  11           2HD      PRO  11   1.372 -10.856   2.235
   74    HD3  PRO  11           1HD      PRO  11   1.795  -9.168   2.584
   75    H    VAL  12           HN       VAL  12   2.808 -11.780  -0.131
   76    HA   VAL  12           HA       VAL  12   4.181 -14.369  -0.459
   77    HB   VAL  12           HB       VAL  12   1.466 -13.531  -1.494
   78   HG11  VAL  12          1HG1      VAL  12   1.189 -16.029  -1.645
   79   HG12  VAL  12          2HG1      VAL  12   2.900 -16.189  -1.249
   80   HG13  VAL  12          3HG1      VAL  12   2.412 -15.380  -2.738
   81   HG21  VAL  12          3HG2      VAL  12   0.584 -14.857   0.403
   82   HG22  VAL  12          1HG2      VAL  12   1.530 -13.481   0.973
   83   HG23  VAL  12          2HG2      VAL  12   2.229 -15.102   0.990
   84    H    LEU  13           HN       LEU  13   3.658 -11.351  -1.932
   85    HA   LEU  13           HA       LEU  13   4.625 -12.382  -4.519
   86    HB2  LEU  13           2HB      LEU  13   2.783 -11.298  -5.267
   87    HB3  LEU  13           1HB      LEU  13   2.634 -10.344  -3.805
   88    HG   LEU  13           HG       LEU  13   4.404  -8.829  -4.578
   89   HD11  LEU  13          1HD1      LEU  13   5.826  -9.437  -6.260
   90   HD12  LEU  13          2HD1      LEU  13   4.464  -9.650  -7.356
   91   HD13  LEU  13          3HD1      LEU  13   4.994 -10.991  -6.352
   92   HD21  LEU  13          3HD2      LEU  13   3.189  -7.887  -6.549
   93   HD22  LEU  13          1HD2      LEU  13   2.154  -8.241  -5.172
   94   HD23  LEU  13          2HD2      LEU  13   2.168  -9.325  -6.561
   95    H    GLY  14           HN       GLY  14   5.011  -9.840  -2.081
   96    HA2  GLY  14           2HA      GLY  14   7.359  -9.360  -1.442
   97    HA3  GLY  14           1HA      GLY  14   7.716  -9.302  -3.164
   98    H    ILE  15           HN       ILE  15   4.741  -7.888  -2.894
   99    HA   ILE  15           HA       ILE  15   5.688  -5.264  -2.041
  100    HB   ILE  15           HB       ILE  15   4.905  -4.182  -4.136
  101   HG12  ILE  15          2HG1      ILE  15   5.092  -6.797  -5.565
  102   HG13  ILE  15          1HG1      ILE  15   3.595  -6.466  -4.700
  103   HG21  ILE  15          1HG2      ILE  15   6.910  -4.630  -5.364
  104   HG22  ILE  15          2HG2      ILE  15   7.020  -6.266  -4.713
  105   HG23  ILE  15          3HG2      ILE  15   7.318  -4.878  -3.666
  106   HD11  ILE  15          3HD1      ILE  15   3.066  -4.643  -6.025
  107   HD12  ILE  15          1HD1      ILE  15   3.876  -5.681  -7.197
  108   HD13  ILE  15          2HD1      ILE  15   4.748  -4.336  -6.462
  109    H    CYS  16           HN       CYS  16   3.640  -3.673  -2.765
  110    HA   CYS  16           HA       CYS  16   1.424  -4.813  -1.254
  111    HB2  CYS  16           2HB      CYS  16   1.617  -2.009  -2.344
  112    HB3  CYS  16           1HB      CYS  16   0.666  -2.593  -0.979
  113    H    THR  17           HN       THR  17  -0.563  -5.162  -2.023
  114    HA   THR  17           HA       THR  17  -1.034  -4.704  -4.910
  115    HB   THR  17           HB       THR  17  -2.211  -6.843  -5.020
  116    HG1  THR  17           1HG      THR  17  -2.807  -6.936  -2.811
  117   HG21  THR  17          3HG2      THR  17   0.610  -6.908  -3.946
  118   HG22  THR  17          1HG2      THR  17   0.098  -6.913  -5.633
  119   HG23  THR  17          2HG2      THR  17  -0.195  -8.326  -4.618
  120    H    ILE  18           HN       ILE  18  -3.223  -4.354  -5.507
  121    HA   ILE  18           HA       ILE  18  -4.686  -2.761  -3.761
  122    HB   ILE  18           HB       ILE  18  -4.804  -3.027  -6.348
  123   HG12  ILE  18          2HG1      ILE  18  -7.427  -2.694  -4.873
  124   HG13  ILE  18          1HG1      ILE  18  -6.166  -1.463  -4.835
  125   HG21  ILE  18          1HG2      ILE  18  -6.465  -4.496  -7.183
  126   HG22  ILE  18          2HG2      ILE  18  -7.133  -4.788  -5.577
  127   HG23  ILE  18          3HG2      ILE  18  -5.563  -5.469  -6.021
  128   HD11  ILE  18          3HD1      ILE  18  -6.711  -0.729  -6.870
  129   HD12  ILE  18          1HD1      ILE  18  -8.128  -1.775  -6.804
  130   HD13  ILE  18          2HD1      ILE  18  -6.639  -2.355  -7.547
  131    H    THR  19           HN       THR  19  -6.223  -3.111  -2.290
  132    HA   THR  19           HA       THR  19  -6.680  -5.868  -1.479
  133    HB   THR  19           HB       THR  19  -6.342  -4.621   0.416
  134    HG1  THR  19           1HG      THR  19  -9.112  -4.204   0.010
  135   HG21  THR  19          3HG2      THR  19  -7.640  -2.408  -1.137
  136   HG22  THR  19          1HG2      THR  19  -6.063  -2.434  -0.348
  137   HG23  THR  19          2HG2      THR  19  -7.533  -2.295   0.618
  138    H    LEU  20           HN       LEU  20  -8.628  -6.923  -1.511
  139    HA   LEU  20           HA       LEU  20 -10.454  -6.306  -3.529
  140    HB2  LEU  20           2HB      LEU  20  -9.951  -8.518  -2.198
  141    HB3  LEU  20           1HB      LEU  20 -11.255  -7.950  -1.162
  142    HG   LEU  20           HG       LEU  20 -11.510  -8.173  -4.179
  143   HD11  LEU  20          1HD1      LEU  20 -11.708 -10.202  -2.053
  144   HD12  LEU  20          2HD1      LEU  20 -11.384 -10.384  -3.776
  145   HD13  LEU  20          3HD1      LEU  20 -13.040 -10.173  -3.207
  146   HD21  LEU  20          3HD2      LEU  20 -13.278  -7.328  -1.953
  147   HD22  LEU  20          1HD2      LEU  20 -14.004  -8.443  -3.108
  148   HD23  LEU  20          2HD2      LEU  20 -13.335  -6.912  -3.663
  149    H    SER  21           HN       SER  21 -10.303  -5.377  -0.174
  150    HA   SER  21           HA       SER  21 -12.961  -4.624   0.264
  151    HB2  SER  21           2HB      SER  21 -12.079  -3.177   2.029
  152    HB3  SER  21           1HB      SER  21 -11.279  -4.747   2.052
  153    HG   SER  21           HG       SER  21 -10.332  -2.263   1.087
  154    H    ARG  22           HN       ARG  22 -10.372  -3.033  -1.453
  155    HA   ARG  22           HA       ARG  22 -11.360  -0.418  -1.556
  156    HB2  ARG  22           2HB      ARG  22  -9.106  -1.058  -2.345
  157    HB3  ARG  22           1HB      ARG  22  -9.832  -1.910  -3.710
  158    HG2  ARG  22           2HG      ARG  22 -10.758   0.137  -4.588
  159    HG3  ARG  22           1HG      ARG  22 -10.297   1.031  -3.138
  160    HD2  ARG  22           2HD      ARG  22  -7.935   0.684  -3.629
  161    HD3  ARG  22           1HD      ARG  22  -8.344  -0.314  -5.017
  162    HE   ARG  22           HE       ARG  22  -9.588   2.138  -5.432
  163   HH11  ARG  22          1HH2      ARG  22  -6.395   0.888  -4.965
  164   HH12  ARG  22          2HH2      ARG  22  -5.627   2.107  -5.926
  165   HH21  ARG  22          1HH1      ARG  22  -8.588   3.741  -6.694
  166   HH22  ARG  22          2HH1      ARG  22  -6.868   3.722  -6.906
  167    H    ILE  23           HN       ILE  23 -12.104  -3.254  -3.538
  168    HA   ILE  23           HA       ILE  23 -13.544  -2.148  -5.594
  169    HB   ILE  23           HB       ILE  23 -14.311  -4.612  -4.018
  170   HG12  ILE  23          2HG1      ILE  23 -11.983  -4.720  -4.735
  171   HG13  ILE  23          1HG1      ILE  23 -12.954  -5.814  -5.715
  172   HG21  ILE  23          1HG2      ILE  23 -15.166  -5.292  -6.350
  173   HG22  ILE  23          2HG2      ILE  23 -15.059  -3.578  -6.751
  174   HG23  ILE  23          3HG2      ILE  23 -16.127  -4.116  -5.452
  175   HD11  ILE  23          3HD1      ILE  23 -11.628  -3.244  -6.486
  176   HD12  ILE  23          1HD1      ILE  23 -13.115  -3.693  -7.320
  177   HD13  ILE  23          2HD1      ILE  23 -11.719  -4.764  -7.370
  178    H    GLU  24           HN       GLU  24 -15.653  -3.729  -3.358
  179    HA   GLU  24           HA       GLU  24 -16.986  -1.213  -2.670
  180    HB2  GLU  24           2HB      GLU  24 -18.325  -3.516  -4.108
  181    HB3  GLU  24           1HB      GLU  24 -19.197  -2.193  -3.334
  182    HG2  GLU  24           2HG      GLU  24 -17.992  -0.575  -4.776
  183    HG3  GLU  24           1HG      GLU  24 -17.167  -1.914  -5.568
  184    H    HIS  25           HN       HIS  25 -15.434  -3.094  -1.094
  185    HA   HIS  25           HA       HIS  25 -17.568  -3.949   0.777
  186    HB2  HIS  25           2HB      HIS  25 -15.057  -5.519   0.177
  187    HB3  HIS  25           1HB      HIS  25 -16.359  -5.986   1.266
  188    HD2  HIS  25           2HD      HIS  25 -15.454  -6.291  -2.451
  189    HE1  HIS  25           1HE      HIS  25 -19.544  -7.285  -2.147
  190    HE2  HIS  25           2HE      HIS  25 -17.524  -7.298  -3.683
  191    HA   PRO  26           HA       PRO  26 -14.148  -1.295   2.666
  192    HB2  PRO  26           2HB      PRO  26 -15.832   0.618   3.700
  193    HB3  PRO  26           1HB      PRO  26 -15.072   0.729   2.102
  194    HG2  PRO  26           2HG      PRO  26 -17.833  -0.112   2.830
  195    HG3  PRO  26           1HG      PRO  26 -17.274   0.878   1.470
  196    HD2  PRO  26           2HD      PRO  26 -17.936  -1.736   1.180
  197    HD3  PRO  26           1HD      PRO  26 -16.674  -0.966   0.195
  198    H    GLY  27           HN       GLY  27 -17.086  -2.784   3.665
  199    HA2  GLY  27           2HA      GLY  27 -17.020  -2.359   6.444
  200    HA3  GLY  27           1HA      GLY  27 -17.771  -3.736   5.643
  201    H    ASN  28           HN       ASN  28 -15.205  -4.521   4.368
  202    HA   ASN  28           HA       ASN  28 -13.521  -6.022   4.792
  203    HB2  ASN  28           2HB      ASN  28 -13.196  -4.340   7.284
  204    HB3  ASN  28           1HB      ASN  28 -11.992  -5.438   6.613
  205   HD21  ASN  28          1HD2      ASN  28 -11.701  -4.919   4.039
  206   HD22  ASN  28          2HD2      ASN  28 -11.450  -3.274   3.711
  207    H    TYR  29           HN       TYR  29 -16.144  -6.779   5.622
  208    HA   TYR  29           HA       TYR  29 -17.222  -8.390   6.859
  209    HB2  TYR  29           2HB      TYR  29 -14.427  -9.348   7.510
  210    HB3  TYR  29           1HB      TYR  29 -15.913 -10.300   7.513
  211    HD1  TYR  29           2HD      TYR  29 -17.072 -10.837   5.381
  212    HD2  TYR  29           1HD      TYR  29 -13.296  -8.791   5.458
  213    HE1  TYR  29           2HE      TYR  29 -16.755 -11.330   2.971
  214    HE2  TYR  29           1HE      TYR  29 -12.980  -9.283   3.049
  215    HH   TYR  29           HH       TYR  29 -15.411 -11.149   1.220
  216    H    ASP  30           HN       ASP  30 -16.181  -5.851   8.157
  217    HA   ASP  30           HA       ASP  30 -16.098  -4.897  10.244
  218    HB2  ASP  30           2HB      ASP  30 -18.384  -5.991  10.251
  219    HB3  ASP  30           1HB      ASP  30 -17.651  -7.329  11.135
  220    H    TYR  31           HN       TYR  31 -13.850  -6.422   9.555
  221    HA   TYR  31           HA       TYR  31 -12.915  -7.165  12.230
  222    HB2  TYR  31           2HB      TYR  31 -13.276  -9.028   9.973
  223    HB3  TYR  31           1HB      TYR  31 -11.696  -9.104  10.753
  224    HD1  TYR  31           2HD      TYR  31 -11.708  -9.134  13.377
  225    HD2  TYR  31           1HD      TYR  31 -15.081 -10.179  10.931
  226    HE1  TYR  31           2HE      TYR  31 -12.695 -10.391  15.274
  227    HE2  TYR  31           1HE      TYR  31 -16.067 -11.434  12.827
  228    HH   TYR  31           HH       TYR  31 -15.160 -11.071  15.941
  Start of MODEL    6
    1    H1   PCA   1           HN       PCA   1   8.458  -1.470   4.002
    2    HA   PCA   1           HA       PCA   1   6.971  -3.116   2.558
    3    HB2  PCA   1           2HB      PCA   1   5.314  -3.803   4.869
    4    HB3  PCA   1           1HB      PCA   1   6.220  -4.896   3.775
    5    HG2  PCA   1           1HG      PCA   1   7.878  -5.134   5.313
    6    HG3  PCA   1           2HG      PCA   1   6.926  -4.133   6.455
    7    H    TRP   2           HN       TRP   2   7.050  -0.355   3.286
    8    HA   TRP   2           HA       TRP   2   4.511   0.461   4.240
    9    HB2  TRP   2           2HB      TRP   2   6.506   1.938   4.140
   10    HB3  TRP   2           1HB      TRP   2   6.372   1.951   2.382
   11    HD1  TRP   2           HD       TRP   2   4.648   3.215   5.536
   12    HE1  TRP   2           1HE      TRP   2   2.937   5.029   4.880
   13    HE3  TRP   2           3HE      TRP   2   4.832   2.803   0.452
   14    HZ2  TRP   2           2HZ      TRP   2   1.797   6.156   2.511
   15    HZ3  TRP   2           3HZ      TRP   2   3.425   4.258  -0.982
   16    HH2  TRP   2           HH       TRP   2   1.908   5.933   0.042
   17    H    CYS   3           HN       CYS   3   2.582   0.668   3.260
   18    HA   CYS   3           HA       CYS   3   2.459   0.156   0.347
   19    HB2  CYS   3           2HB      CYS   3   0.457  -0.590   2.483
   20    HB3  CYS   3           1HB      CYS   3   0.247  -0.849   0.752
   21    H    GLN   4           HN       GLN   4   0.850   1.238  -0.842
   22    HA   GLN   4           HA       GLN   4   0.225   3.861   0.208
   23    HB2  GLN   4           2HB      GLN   4  -0.838   3.433  -2.420
   24    HB3  GLN   4           1HB      GLN   4   0.482   4.496  -1.929
   25    HG2  GLN   4           2HG      GLN   4   2.028   2.542  -1.997
   26    HG3  GLN   4           1HG      GLN   4   0.699   1.546  -2.594
   27   HE21  GLN   4          1HE2      GLN   4   3.362   3.076  -3.723
   28   HE22  GLN   4          2HE2      GLN   4   2.824   3.513  -5.273
   29    HA   PRO   5           HA       PRO   5  -4.082   3.389   1.031
   30    HB2  PRO   5           2HB      PRO   5  -4.859   5.300  -1.099
   31    HB3  PRO   5           1HB      PRO   5  -5.117   5.396   0.652
   32    HG2  PRO   5           2HG      PRO   5  -3.332   6.920  -0.639
   33    HG3  PRO   5           1HG      PRO   5  -3.109   6.390   1.034
   34    HD2  PRO   5           2HD      PRO   5  -1.764   5.427  -1.451
   35    HD3  PRO   5           1HD      PRO   5  -1.166   5.507   0.218
   36    H    GLY   6           HN       GLY   6  -5.670   2.011   0.422
   37    HA2  GLY   6           2HA      GLY   6  -7.107   0.808  -0.963
   38    HA3  GLY   6           1HA      GLY   6  -6.367   1.591  -2.355
   39    H    TYR   7           HN       TYR   7  -3.847   0.513  -0.560
   40    HA   TYR   7           HA       TYR   7  -3.770  -2.114  -1.915
   41    HB2  TYR   7           2HB      TYR   7  -1.646  -0.043  -1.585
   42    HB3  TYR   7           1HB      TYR   7  -1.205  -1.718  -1.810
   43    HD1  TYR   7           1HD      TYR   7  -3.489   0.881  -3.271
   44    HD2  TYR   7           2HD      TYR   7  -0.972  -2.526  -3.970
   45    HE1  TYR   7           1HE      TYR   7  -3.884   1.092  -5.710
   46    HE2  TYR   7           2HE      TYR   7  -1.374  -2.321  -6.414
   47    HH   TYR   7           HH       TYR   7  -2.730  -1.342  -7.977
   48    H    ALA   8           HN       ALA   8  -2.236  -3.639  -0.881
   49    HA   ALA   8           HA       ALA   8  -1.843  -3.214   1.982
   50    HB1  ALA   8           1HB      ALA   8  -2.984  -5.178   2.664
   51    HB2  ALA   8           2HB      ALA   8  -3.171  -5.742   1.004
   52    HB3  ALA   8           3HB      ALA   8  -4.098  -4.353   1.573
   53    H    TYR   9           HN       TYR   9  -0.024  -4.153   2.721
   54    HA   TYR   9           HA       TYR   9   2.006  -4.938   1.053
   55    HB2  TYR   9           2HB      TYR   9   2.557  -4.374   3.289
   56    HB3  TYR   9           1HB      TYR   9   1.500  -5.629   3.935
   57    HD1  TYR   9           1HD      TYR   9   3.982  -5.800   1.111
   58    HD2  TYR   9           2HD      TYR   9   2.916  -7.137   5.056
   59    HE1  TYR   9           1HE      TYR   9   5.851  -7.402   1.067
   60    HE2  TYR   9           2HE      TYR   9   4.796  -8.750   5.010
   61    HH   TYR   9           HH       TYR   9   6.623  -9.412   3.904
   62    H    ASN  10           HN       ASN  10   2.650  -6.771   0.066
   63    HA   ASN  10           HA       ASN  10   0.998  -9.167   0.498
   64    HB2  ASN  10           2HB      ASN  10   1.023  -7.770  -1.770
   65    HB3  ASN  10           1HB      ASN  10   2.381  -8.834  -2.072
   66   HD21  ASN  10          1HD2      ASN  10   1.952 -11.136  -2.250
   67   HD22  ASN  10          2HD2      ASN  10   0.377 -11.740  -2.392
   68    HA   PRO  11           HA       PRO  11   5.287 -10.469   1.572
   69    HB2  PRO  11           2HB      PRO  11   4.555 -12.392   3.361
   70    HB3  PRO  11           1HB      PRO  11   4.730 -10.679   3.765
   71    HG2  PRO  11           2HG      PRO  11   2.286 -12.264   3.337
   72    HG3  PRO  11           1HG      PRO  11   2.559 -10.883   4.396
   73    HD2  PRO  11           2HD      PRO  11   1.252 -10.792   1.947
   74    HD3  PRO  11           1HD      PRO  11   1.945  -9.389   2.775
   75    H    VAL  12           HN       VAL  12   2.840 -11.834  -0.170
   76    HA   VAL  12           HA       VAL  12   4.228 -14.414  -0.546
   77    HB   VAL  12           HB       VAL  12   1.509 -13.587  -1.581
   78   HG11  VAL  12          1HG1      VAL  12   2.457 -15.421  -2.834
   79   HG12  VAL  12          2HG1      VAL  12   1.263 -16.100  -1.729
   80   HG13  VAL  12          3HG1      VAL  12   2.981 -16.226  -1.355
   81   HG21  VAL  12          3HG2      VAL  12   0.646 -14.997   0.297
   82   HG22  VAL  12          1HG2      VAL  12   1.486 -13.553   0.864
   83   HG23  VAL  12          2HG2      VAL  12   2.291 -15.122   0.919
   84    H    LEU  13           HN       LEU  13   3.696 -11.359  -1.943
   85    HA   LEU  13           HA       LEU  13   4.635 -12.335  -4.559
   86    HB2  LEU  13           2HB      LEU  13   2.792 -11.193  -5.282
   87    HB3  LEU  13           1HB      LEU  13   2.666 -10.276  -3.793
   88    HG   LEU  13           HG       LEU  13   4.496  -8.802  -4.532
   89   HD11  LEU  13          1HD1      LEU  13   5.862  -9.382  -6.269
   90   HD12  LEU  13          2HD1      LEU  13   4.484  -9.577  -7.348
   91   HD13  LEU  13          3HD1      LEU  13   5.012 -10.919  -6.350
   92   HD21  LEU  13          3HD2      LEU  13   3.306  -7.733  -6.447
   93   HD22  LEU  13          1HD2      LEU  13   2.259  -8.105  -5.083
   94   HD23  LEU  13          2HD2      LEU  13   2.231  -9.128  -6.514
   95    H    GLY  14           HN       GLY  14   5.059  -9.847  -2.055
   96    HA2  GLY  14           2HA      GLY  14   7.417  -9.443  -1.419
   97    HA3  GLY  14           1HA      GLY  14   7.771  -9.317  -3.138
   98    H    ILE  15           HN       ILE  15   4.816  -7.883  -2.708
   99    HA   ILE  15           HA       ILE  15   5.754  -5.291  -1.774
  100    HB   ILE  15           HB       ILE  15   4.994  -4.131  -3.849
  101   HG12  ILE  15          2HG1      ILE  15   5.222  -6.716  -5.341
  102   HG13  ILE  15          1HG1      ILE  15   3.713  -6.391  -4.501
  103   HG21  ILE  15          1HG2      ILE  15   7.412  -4.826  -3.359
  104   HG22  ILE  15          2HG2      ILE  15   7.028  -4.494  -5.047
  105   HG23  ILE  15          3HG2      ILE  15   7.147  -6.160  -4.481
  106   HD11  ILE  15          3HD1      ILE  15   4.101  -5.555  -6.993
  107   HD12  ILE  15          1HD1      ILE  15   4.870  -4.204  -6.164
  108   HD13  ILE  15          2HD1      ILE  15   3.180  -4.594  -5.833
  109    H    CYS  16           HN       CYS  16   3.717  -3.688  -2.533
  110    HA   CYS  16           HA       CYS  16   1.466  -4.851  -1.107
  111    HB2  CYS  16           2HB      CYS  16   1.755  -2.031  -2.128
  112    HB3  CYS  16           1HB      CYS  16   0.668  -2.619  -0.870
  113    H    THR  17           HN       THR  17  -0.543  -5.123  -1.931
  114    HA   THR  17           HA       THR  17  -0.890  -4.645  -4.833
  115    HB   THR  17           HB       THR  17  -2.127  -6.761  -4.989
  116    HG1  THR  17           1HG      THR  17  -1.190  -7.254  -2.367
  117   HG21  THR  17          3HG2      THR  17   0.154  -6.932  -5.591
  118   HG22  THR  17          1HG2      THR  17  -0.124  -8.277  -4.484
  119   HG23  THR  17          2HG2      THR  17   0.686  -6.818  -3.913
  120    H    ILE  18           HN       ILE  18  -3.111  -4.405  -5.528
  121    HA   ILE  18           HA       ILE  18  -4.601  -2.714  -3.903
  122    HB   ILE  18           HB       ILE  18  -4.685  -2.939  -6.423
  123   HG12  ILE  18          2HG1      ILE  18  -7.432  -3.126  -5.210
  124   HG13  ILE  18          1HG1      ILE  18  -6.384  -1.767  -4.821
  125   HG21  ILE  18          1HG2      ILE  18  -5.080  -5.505  -6.117
  126   HG22  ILE  18          2HG2      ILE  18  -5.934  -4.659  -7.408
  127   HG23  ILE  18          3HG2      ILE  18  -6.770  -5.043  -5.902
  128   HD11  ILE  18          3HD1      ILE  18  -6.604  -0.843  -6.867
  129   HD12  ILE  18          1HD1      ILE  18  -8.037  -1.862  -6.994
  130   HD13  ILE  18          2HD1      ILE  18  -6.511  -2.402  -7.688
  131    H    THR  19           HN       THR  19  -6.095  -3.053  -2.375
  132    HA   THR  19           HA       THR  19  -6.636  -5.792  -1.566
  133    HB   THR  19           HB       THR  19  -6.204  -4.498   0.308
  134    HG1  THR  19           1HG      THR  19  -8.916  -3.892   0.282
  135   HG21  THR  19          3HG2      THR  19  -7.539  -2.202   0.476
  136   HG22  THR  19          1HG2      THR  19  -7.529  -2.347  -1.282
  137   HG23  THR  19          2HG2      THR  19  -6.007  -2.309  -0.390
  138    H    LEU  20           HN       LEU  20  -8.803  -6.563  -1.171
  139    HA   LEU  20           HA       LEU  20 -10.570  -6.108  -3.314
  140    HB2  LEU  20           2HB      LEU  20 -10.720  -7.592  -0.712
  141    HB3  LEU  20           1HB      LEU  20 -12.177  -7.366  -1.664
  142    HG   LEU  20           HG       LEU  20 -10.939  -9.515  -2.181
  143   HD11  LEU  20          1HD1      LEU  20 -12.191  -7.723  -3.914
  144   HD12  LEU  20          2HD1      LEU  20 -11.809  -9.403  -4.273
  145   HD13  LEU  20          3HD1      LEU  20 -10.690  -8.124  -4.743
  146   HD21  LEU  20          3HD2      LEU  20  -8.935  -7.749  -3.587
  147   HD22  LEU  20          1HD2      LEU  20  -8.812  -9.467  -3.214
  148   HD23  LEU  20          2HD2      LEU  20  -8.673  -8.273  -1.925
  149    H    SER  21           HN       SER  21 -10.197  -4.573  -0.243
  150    HA   SER  21           HA       SER  21 -12.785  -3.523   0.109
  151    HB2  SER  21           2HB      SER  21 -11.749  -1.938   1.626
  152    HB3  SER  21           1HB      SER  21 -11.001  -3.518   1.847
  153    HG   SER  21           HG       SER  21  -9.249  -2.359   1.550
  154    H    ARG  22           HN       ARG  22 -10.228  -2.694  -2.059
  155    HA   ARG  22           HA       ARG  22 -10.760  -0.005  -2.580
  156    HB2  ARG  22           2HB      ARG  22  -8.839  -1.401  -3.475
  157    HB3  ARG  22           1HB      ARG  22  -9.964  -2.033  -4.676
  158    HG2  ARG  22           2HG      ARG  22  -9.307  -0.234  -5.912
  159    HG3  ARG  22           1HG      ARG  22 -10.430   0.657  -4.889
  160    HD2  ARG  22           2HD      ARG  22  -7.477   0.279  -4.319
  161    HD3  ARG  22           1HD      ARG  22  -8.204   1.744  -4.968
  162    HE   ARG  22           HE       ARG  22  -8.356   0.806  -2.221
  163   HH11  ARG  22          1HH2      ARG  22  -9.634   2.841  -4.709
  164   HH12  ARG  22          2HH2      ARG  22 -10.372   3.956  -3.609
  165   HH21  ARG  22          1HH1      ARG  22  -9.321   2.264  -0.771
  166   HH22  ARG  22          2HH1      ARG  22 -10.195   3.630  -1.379
  167    H    ILE  23           HN       ILE  23 -12.390  -2.924  -3.657
  168    HA   ILE  23           HA       ILE  23 -13.874  -2.167  -5.795
  169    HB   ILE  23           HB       ILE  23 -14.817  -3.662  -3.354
  170   HG12  ILE  23          2HG1      ILE  23 -14.042  -4.691  -6.096
  171   HG13  ILE  23          1HG1      ILE  23 -12.887  -4.557  -4.769
  172   HG21  ILE  23          1HG2      ILE  23 -16.861  -3.184  -4.303
  173   HG22  ILE  23          2HG2      ILE  23 -16.418  -4.566  -5.305
  174   HG23  ILE  23          3HG2      ILE  23 -16.175  -2.927  -5.907
  175   HD11  ILE  23          3HD1      ILE  23 -15.503  -6.000  -4.377
  176   HD12  ILE  23          1HD1      ILE  23 -13.997  -6.175  -3.473
  177   HD13  ILE  23          2HD1      ILE  23 -14.126  -6.825  -5.107
  178    H    GLU  24           HN       GLU  24 -15.597  -2.032  -2.769
  179    HA   GLU  24           HA       GLU  24 -16.336   0.770  -3.253
  180    HB2  GLU  24           2HB      GLU  24 -18.292  -1.517  -2.960
  181    HB3  GLU  24           1HB      GLU  24 -18.742   0.185  -2.816
  182    HG2  GLU  24           2HG      GLU  24 -17.871   0.594  -5.094
  183    HG3  GLU  24           1HG      GLU  24 -17.467  -1.112  -5.238
  184    H    HIS  25           HN       HIS  25 -18.360  -0.950  -1.124
  185    HA   HIS  25           HA       HIS  25 -18.661  -0.848   1.148
  186    HB2  HIS  25           2HB      HIS  25 -15.637  -0.881   1.247
  187    HB3  HIS  25           1HB      HIS  25 -16.753  -1.405   2.509
  188    HD2  HIS  25           2HD      HIS  25 -14.951  -2.899  -0.522
  189    HE1  HIS  25           1HE      HIS  25 -18.008  -5.628   0.487
  190    HE2  HIS  25           2HE      HIS  25 -15.918  -5.292  -0.914
  191    HA   PRO  26           HA       PRO  26 -17.725   3.780   0.865
  192    HB2  PRO  26           2HB      PRO  26 -20.560   3.741   1.798
  193    HB3  PRO  26           1HB      PRO  26 -19.785   4.766   0.575
  194    HG2  PRO  26           2HG      PRO  26 -21.399   2.779  -0.116
  195    HG3  PRO  26           1HG      PRO  26 -19.957   3.176  -1.068
  196    HD2  PRO  26           2HD      PRO  26 -20.410   0.886   0.805
  197    HD3  PRO  26           1HD      PRO  26 -19.452   0.959  -0.689
  198    H    GLY  27           HN       GLY  27 -19.421   1.788   3.249
  199    HA2  GLY  27           2HA      GLY  27 -19.181   3.507   5.467
  200    HA3  GLY  27           1HA      GLY  27 -19.373   1.759   5.549
  201    H    ASN  28           HN       ASN  28 -17.010   1.045   4.139
  202    HA   ASN  28           HA       ASN  28 -15.133   1.006   6.231
  203    HB2  ASN  28           2HB      ASN  28 -15.284  -0.623   4.307
  204    HB3  ASN  28           1HB      ASN  28 -14.521   0.607   3.302
  205   HD21  ASN  28          1HD2      ASN  28 -12.480  -0.443   3.012
  206   HD22  ASN  28          2HD2      ASN  28 -11.423  -0.766   4.301
  207    H    TYR  29           HN       TYR  29 -15.420   3.037   3.361
  208    HA   TYR  29           HA       TYR  29 -13.038   4.569   4.182
  209    HB2  TYR  29           2HB      TYR  29 -14.762   4.742   1.700
  210    HB3  TYR  29           1HB      TYR  29 -13.324   5.717   2.002
  211    HD1  TYR  29           2HD      TYR  29 -14.581   2.316   1.342
  212    HD2  TYR  29           1HD      TYR  29 -11.096   4.758   1.901
  213    HE1  TYR  29           2HE      TYR  29 -13.159   0.476   0.492
  214    HE2  TYR  29           1HE      TYR  29  -9.670   2.918   1.048
  215    HH   TYR  29           HH       TYR  29 -11.054  -0.250   0.229
  216    H    ASP  30           HN       ASP  30 -16.229   4.567   4.919
  217    HA   ASP  30           HA       ASP  30 -17.732   6.130   5.695
  218    HB2  ASP  30           2HB      ASP  30 -15.799   6.339   7.312
  219    HB3  ASP  30           1HB      ASP  30 -15.256   7.725   6.369
  220    H    TYR  31           HN       TYR  31 -17.558   6.314   3.014
  221    HA   TYR  31           HA       TYR  31 -16.735   8.540   1.698
  222    HB2  TYR  31           2HB      TYR  31 -18.435   8.164   0.124
  223    HB3  TYR  31           1HB      TYR  31 -18.214   6.583   0.873
  224    HD1  TYR  31           2HD      TYR  31 -19.802   5.812   2.654
  225    HD2  TYR  31           1HD      TYR  31 -20.474   9.396   0.383
  226    HE1  TYR  31           2HE      TYR  31 -22.178   5.816   3.362
  227    HE2  TYR  31           1HE      TYR  31 -22.850   9.400   1.092
  228    HH   TYR  31           HH       TYR  31 -24.307   8.516   2.638
  Start of MODEL    7
    1    H1   PCA   1           HN       PCA   1   7.714  -2.264   5.693
    2    HA   PCA   1           HA       PCA   1   7.517  -2.544   3.108
    3    HB2  PCA   1           2HB      PCA   1   5.028  -3.998   3.143
    4    HB3  PCA   1           1HB      PCA   1   6.630  -4.582   2.593
    5    HG2  PCA   1           1HG      PCA   1   6.794  -5.874   4.458
    6    HG3  PCA   1           2HG      PCA   1   5.222  -5.246   5.048
    7    H    TRP   2           HN       TRP   2   7.087  -0.396   3.212
    8    HA   TRP   2           HA       TRP   2   4.595   0.575   4.210
    9    HB2  TRP   2           2HB      TRP   2   6.639   1.972   4.043
   10    HB3  TRP   2           1HB      TRP   2   6.516   1.900   2.285
   11    HD1  TRP   2           HD       TRP   2   4.848   3.409   5.356
   12    HE1  TRP   2           1HE      TRP   2   3.205   5.245   4.599
   13    HE3  TRP   2           3HE      TRP   2   4.991   2.690   0.305
   14    HZ2  TRP   2           2HZ      TRP   2   2.099   6.274   2.170
   15    HZ3  TRP   2           3HZ      TRP   2   3.634   4.111  -1.208
   16    HH2  TRP   2           HH       TRP   2   2.190   5.900  -0.282
   17    H    CYS   3           HN       CYS   3   2.667   0.761   3.233
   18    HA   CYS   3           HA       CYS   3   2.522   0.203   0.328
   19    HB2  CYS   3           2HB      CYS   3   0.557  -0.565   2.495
   20    HB3  CYS   3           1HB      CYS   3   0.307  -0.808   0.767
   21    H    GLN   4           HN       GLN   4   0.863   1.250  -0.852
   22    HA   GLN   4           HA       GLN   4   0.278   3.885   0.201
   23    HB2  GLN   4           2HB      GLN   4  -0.823   3.448  -2.411
   24    HB3  GLN   4           1HB      GLN   4   0.492   4.521  -1.940
   25    HG2  GLN   4           2HG      GLN   4   2.052   2.571  -2.018
   26    HG3  GLN   4           1HG      GLN   4   0.721   1.572  -2.603
   27   HE21  GLN   4          1HE2      GLN   4   3.362   2.775  -3.865
   28   HE22  GLN   4          2HE2      GLN   4   2.810   3.358  -5.362
   29    HA   PRO   5           HA       PRO   5  -4.026   3.411   1.073
   30    HB2  PRO   5           2HB      PRO   5  -4.838   5.312  -1.050
   31    HB3  PRO   5           1HB      PRO   5  -5.074   5.411   0.703
   32    HG2  PRO   5           2HG      PRO   5  -3.313   6.938  -0.615
   33    HG3  PRO   5           1HG      PRO   5  -3.063   6.414   1.055
   34    HD2  PRO   5           2HD      PRO   5  -1.746   5.453  -1.444
   35    HD3  PRO   5           1HD      PRO   5  -1.128   5.543   0.217
   36    H    GLY   6           HN       GLY   6  -5.627   2.037   0.475
   37    HA2  GLY   6           2HA      GLY   6  -7.080   0.840  -0.900
   38    HA3  GLY   6           1HA      GLY   6  -6.346   1.619  -2.298
   39    H    TYR   7           HN       TYR   7  -3.829   0.514  -0.495
   40    HA   TYR   7           HA       TYR   7  -3.776  -2.105  -1.862
   41    HB2  TYR   7           2HB      TYR   7  -1.626  -0.052  -1.552
   42    HB3  TYR   7           1HB      TYR   7  -1.212  -1.731  -1.798
   43    HD1  TYR   7           1HD      TYR   7  -3.444   0.938  -3.216
   44    HD2  TYR   7           2HD      TYR   7  -1.053  -2.547  -3.964
   45    HE1  TYR   7           1HE      TYR   7  -3.878   1.163  -5.648
   46    HE2  TYR   7           2HE      TYR   7  -1.498  -2.333  -6.398
   47    HH   TYR   7           HH       TYR   7  -2.301   0.165  -7.894
   48    H    ALA   8           HN       ALA   8  -2.266  -3.649  -0.843
   49    HA   ALA   8           HA       ALA   8  -1.842  -3.232   2.023
   50    HB1  ALA   8           1HB      ALA   8  -3.089  -5.810   1.112
   51    HB2  ALA   8           2HB      ALA   8  -4.104  -4.418   1.491
   52    HB3  ALA   8           3HB      ALA   8  -3.050  -5.102   2.727
   53    H    TYR   9           HN       TYR   9   0.005  -4.134   2.734
   54    HA   TYR   9           HA       TYR   9   2.007  -4.922   1.049
   55    HB2  TYR   9           2HB      TYR   9   2.579  -4.347   3.278
   56    HB3  TYR   9           1HB      TYR   9   1.541  -5.612   3.936
   57    HD1  TYR   9           2HD      TYR   9   4.004  -5.748   1.091
   58    HD2  TYR   9           1HD      TYR   9   2.963  -7.113   5.033
   59    HE1  TYR   9           2HE      TYR   9   5.885  -7.337   1.031
   60    HE2  TYR   9           1HE      TYR   9   4.855  -8.713   4.973
   61    HH   TYR   9           HH       TYR   9   6.568  -9.489   3.801
   62    H    ASN  10           HN       ASN  10   2.632  -6.752   0.049
   63    HA   ASN  10           HA       ASN  10   0.994  -9.155   0.505
   64    HB2  ASN  10           2HB      ASN  10   1.023  -7.764  -1.766
   65    HB3  ASN  10           1HB      ASN  10   2.377  -8.835  -2.073
   66   HD21  ASN  10          1HD2      ASN  10   1.941 -11.141  -2.230
   67   HD22  ASN  10          2HD2      ASN  10   0.363 -11.738  -2.368
   68    HA   PRO  11           HA       PRO  11   5.291 -10.449   1.553
   69    HB2  PRO  11           2HB      PRO  11   4.575 -12.374   3.377
   70    HB3  PRO  11           1HB      PRO  11   4.749 -10.662   3.771
   71    HG2  PRO  11           2HG      PRO  11   2.308 -12.251   3.353
   72    HG3  PRO  11           1HG      PRO  11   2.583 -10.870   4.413
   73    HD2  PRO  11           2HD      PRO  11   1.258 -10.778   1.976
   74    HD3  PRO  11           1HD      PRO  11   1.957  -9.370   2.792
   75    H    VAL  12           HN       VAL  12   2.821 -11.830  -0.144
   76    HA   VAL  12           HA       VAL  12   4.193 -14.415  -0.498
   77    HB   VAL  12           HB       VAL  12   1.477 -13.579  -1.548
   78   HG11  VAL  12          1HG1      VAL  12   1.793 -16.386  -1.086
   79   HG12  VAL  12          2HG1      VAL  12   3.175 -15.832  -2.024
   80   HG13  VAL  12          3HG1      VAL  12   1.541 -15.560  -2.622
   81   HG21  VAL  12          3HG2      VAL  12   0.576 -14.917   0.342
   82   HG22  VAL  12          1HG2      VAL  12   1.489 -13.519   0.910
   83   HG23  VAL  12          2HG2      VAL  12   2.214 -15.125   0.959
   84    H    LEU  13           HN       LEU  13   3.665 -11.367  -1.926
   85    HA   LEU  13           HA       LEU  13   4.617 -12.360  -4.528
   86    HB2  LEU  13           2HB      LEU  13   2.791 -11.221  -5.246
   87    HB3  LEU  13           1HB      LEU  13   2.663 -10.291  -3.765
   88    HG   LEU  13           HG       LEU  13   4.487  -8.815  -4.501
   89   HD11  LEU  13          1HD1      LEU  13   5.891  -9.443  -6.185
   90   HD12  LEU  13          2HD1      LEU  13   4.528  -9.585  -7.295
   91   HD13  LEU  13          3HD1      LEU  13   5.007 -10.958  -6.309
   92   HD21  LEU  13          3HD2      LEU  13   2.239  -8.161  -5.082
   93   HD22  LEU  13          1HD2      LEU  13   2.258  -9.179  -6.519
   94   HD23  LEU  13          2HD2      LEU  13   3.311  -7.767  -6.421
   95    H    GLY  14           HN       GLY  14   5.023  -9.808  -2.087
   96    HA2  GLY  14           2HA      GLY  14   7.397  -9.415  -1.440
   97    HA3  GLY  14           1HA      GLY  14   7.739  -9.311  -3.160
   98    H    ILE  15           HN       ILE  15   4.768  -7.878  -2.713
   99    HA   ILE  15           HA       ILE  15   5.722  -5.286  -1.808
  100    HB   ILE  15           HB       ILE  15   4.933  -4.148  -3.887
  101   HG12  ILE  15          2HG1      ILE  15   5.204  -6.740  -5.366
  102   HG13  ILE  15          1HG1      ILE  15   3.686  -6.442  -4.528
  103   HG21  ILE  15          1HG2      ILE  15   6.971  -4.496  -5.086
  104   HG22  ILE  15          2HG2      ILE  15   7.118  -6.151  -4.495
  105   HG23  ILE  15          3HG2      ILE  15   7.361  -4.797  -3.392
  106   HD11  ILE  15          3HD1      ILE  15   4.799  -4.234  -6.198
  107   HD12  ILE  15          1HD1      ILE  15   3.119  -4.668  -5.875
  108   HD13  ILE  15          2HD1      ILE  15   4.070  -5.609  -7.026
  109    H    CYS  16           HN       CYS  16   3.677  -3.684  -2.570
  110    HA   CYS  16           HA       CYS  16   1.432  -4.837  -1.116
  111    HB2  CYS  16           2HB      CYS  16   1.683  -2.020  -2.159
  112    HB3  CYS  16           1HB      CYS  16   0.657  -2.611  -0.854
  113    H    THR  17           HN       THR  17  -0.564  -5.145  -1.923
  114    HA   THR  17           HA       THR  17  -0.949  -4.671  -4.821
  115    HB   THR  17           HB       THR  17  -2.161  -6.801  -4.963
  116    HG1  THR  17           1HG      THR  17  -2.829  -7.009  -2.839
  117   HG21  THR  17          3HG2      THR  17   0.108  -6.962  -5.590
  118   HG22  THR  17          1HG2      THR  17  -0.127  -8.291  -4.456
  119   HG23  THR  17          2HG2      THR  17   0.665  -6.808  -3.924
  120    H    ILE  18           HN       ILE  18  -3.105  -4.312  -5.493
  121    HA   ILE  18           HA       ILE  18  -4.623  -2.698  -3.825
  122    HB   ILE  18           HB       ILE  18  -4.676  -2.977  -6.399
  123   HG12  ILE  18          2HG1      ILE  18  -7.368  -2.734  -5.047
  124   HG13  ILE  18          1HG1      ILE  18  -6.138  -1.483  -4.882
  125   HG21  ILE  18          1HG2      ILE  18  -6.253  -4.504  -7.282
  126   HG22  ILE  18          2HG2      ILE  18  -6.972  -4.807  -5.699
  127   HG23  ILE  18          3HG2      ILE  18  -5.363  -5.437  -6.080
  128   HD11  ILE  18          3HD1      ILE  18  -6.466  -0.722  -6.961
  129   HD12  ILE  18          1HD1      ILE  18  -7.964  -1.648  -6.933
  130   HD13  ILE  18          2HD1      ILE  18  -6.513  -2.346  -7.646
  131    H    THR  19           HN       THR  19  -6.175  -3.044  -2.361
  132    HA   THR  19           HA       THR  19  -6.689  -5.796  -1.567
  133    HB   THR  19           HB       THR  19  -6.325  -4.534   0.331
  134    HG1  THR  19           1HG      THR  19  -9.096  -4.118  -0.057
  135   HG21  THR  19          3HG2      THR  19  -7.556  -2.213   0.513
  136   HG22  THR  19          1HG2      THR  19  -7.620  -2.337  -1.245
  137   HG23  THR  19          2HG2      THR  19  -6.063  -2.348  -0.416
  138    H    LEU  20           HN       LEU  20  -8.743  -6.744  -1.449
  139    HA   LEU  20           HA       LEU  20 -10.503  -6.199  -3.538
  140    HB2  LEU  20           2HB      LEU  20 -10.206  -8.347  -2.101
  141    HB3  LEU  20           1HB      LEU  20 -11.360  -7.593  -1.011
  142    HG   LEU  20           HG       LEU  20 -11.936  -7.845  -3.975
  143   HD11  LEU  20          1HD1      LEU  20 -12.035  -9.900  -1.839
  144   HD12  LEU  20          2HD1      LEU  20 -11.746 -10.078  -3.570
  145   HD13  LEU  20          3HD1      LEU  20 -13.387  -9.833  -2.971
  146   HD21  LEU  20          3HD2      LEU  20 -13.363  -6.887  -1.602
  147   HD22  LEU  20          1HD2      LEU  20 -14.271  -8.118  -2.471
  148   HD23  LEU  20          2HD2      LEU  20 -13.744  -6.660  -3.302
  149    H    SER  21           HN       SER  21 -10.306  -4.942  -0.327
  150    HA   SER  21           HA       SER  21 -12.902  -4.043   0.095
  151    HB2  SER  21           2HB      SER  21 -10.287  -2.769   0.913
  152    HB3  SER  21           1HB      SER  21 -11.863  -2.293   1.536
  153    HG   SER  21           HG       SER  21 -11.655  -4.938   1.689
  154    H    ARG  22           HN       ARG  22 -10.291  -2.606  -1.794
  155    HA   ARG  22           HA       ARG  22 -11.369  -0.071  -2.255
  156    HB2  ARG  22           2HB      ARG  22  -9.114  -0.504  -2.924
  157    HB3  ARG  22           1HB      ARG  22  -9.614  -1.824  -3.988
  158    HG2  ARG  22           2HG      ARG  22 -10.563  -0.359  -5.562
  159    HG3  ARG  22           1HG      ARG  22 -10.695   0.962  -4.402
  160    HD2  ARG  22           2HD      ARG  22  -8.004  -0.129  -5.138
  161    HD3  ARG  22           1HD      ARG  22  -8.792   1.032  -6.196
  162    HE   ARG  22           HE       ARG  22  -8.772   1.918  -3.470
  163   HH11  ARG  22          1HH2      ARG  22  -6.863   1.547  -6.332
  164   HH12  ARG  22          2HH2      ARG  22  -5.792   2.855  -5.955
  165   HH21  ARG  22          1HH1      ARG  22  -7.374   3.635  -2.969
  166   HH22  ARG  22          2HH1      ARG  22  -6.082   4.038  -4.050
  167    H    ILE  23           HN       ILE  23 -11.968  -3.144  -3.898
  168    HA   ILE  23           HA       ILE  23 -13.328  -2.484  -6.131
  169    HB   ILE  23           HB       ILE  23 -14.235  -4.503  -4.081
  170   HG12  ILE  23          2HG1      ILE  23 -11.889  -4.814  -4.823
  171   HG13  ILE  23          1HG1      ILE  23 -12.923  -6.098  -5.445
  172   HG21  ILE  23          1HG2      ILE  23 -16.040  -4.615  -5.473
  173   HG22  ILE  23          2HG2      ILE  23 -14.931  -5.496  -6.525
  174   HG23  ILE  23          3HG2      ILE  23 -15.197  -3.771  -6.775
  175   HD11  ILE  23          3HD1      ILE  23 -11.563  -3.869  -6.910
  176   HD12  ILE  23          1HD1      ILE  23 -13.126  -4.393  -7.517
  177   HD13  ILE  23          2HD1      ILE  23 -11.806  -5.544  -7.400
  178    H    GLU  24           HN       GLU  24 -15.459  -3.320  -3.510
  179    HA   GLU  24           HA       GLU  24 -16.821  -0.730  -3.716
  180    HB2  GLU  24           2HB      GLU  24 -18.147  -3.404  -4.208
  181    HB3  GLU  24           1HB      GLU  24 -19.024  -1.895  -3.952
  182    HG2  GLU  24           2HG      GLU  24 -17.857  -0.899  -5.897
  183    HG3  GLU  24           1HG      GLU  24 -17.026  -2.428  -6.168
  184    H    HIS  25           HN       HIS  25 -15.429  -1.121  -1.544
  185    HA   HIS  25           HA       HIS  25 -17.446  -1.866   0.489
  186    HB2  HIS  25           2HB      HIS  25 -14.511  -2.536   0.703
  187    HB3  HIS  25           1HB      HIS  25 -15.791  -2.989   1.823
  188    HD2  HIS  25           2HD      HIS  25 -14.549  -3.991  -1.784
  189    HE1  HIS  25           1HE      HIS  25 -17.402  -6.834  -0.521
  190    HE2  HIS  25           2HE      HIS  25 -15.719  -6.258  -2.334
  191    HA   PRO  26           HA       PRO  26 -15.697   2.468   0.992
  192    HB2  PRO  26           2HB      PRO  26 -18.476   2.775   2.030
  193    HB3  PRO  26           1HB      PRO  26 -17.552   3.827   0.941
  194    HG2  PRO  26           2HG      PRO  26 -19.509   2.279   0.036
  195    HG3  PRO  26           1HG      PRO  26 -18.041   2.570  -0.915
  196    HD2  PRO  26           2HD      PRO  26 -18.846   0.124   0.613
  197    HD3  PRO  26           1HD      PRO  26 -17.921   0.266  -0.899
  198    H    GLY  27           HN       GLY  27 -17.673   0.435   3.110
  199    HA2  GLY  27           2HA      GLY  27 -17.140   1.713   5.559
  200    HA3  GLY  27           1HA      GLY  27 -17.585   0.020   5.373
  201    H    ASN  28           HN       ASN  28 -15.373  -0.803   3.808
  202    HA   ASN  28           HA       ASN  28 -13.288  -1.717   4.110
  203    HB2  ASN  28           2HB      ASN  28 -12.760   0.936   5.458
  204    HB3  ASN  28           1HB      ASN  28 -11.543  -0.178   4.836
  205   HD21  ASN  28          1HD2      ASN  28 -11.819  -0.700   2.383
  206   HD22  ASN  28          2HD2      ASN  28 -12.305   0.583   1.385
  207    H    TYR  29           HN       TYR  29 -15.266  -2.320   6.094
  208    HA   TYR  29           HA       TYR  29 -15.454  -3.322   8.155
  209    HB2  TYR  29           2HB      TYR  29 -12.434  -3.484   8.024
  210    HB3  TYR  29           1HB      TYR  29 -13.514  -4.498   8.980
  211    HD1  TYR  29           1HD      TYR  29 -14.964  -6.173   7.901
  212    HD2  TYR  29           2HD      TYR  29 -12.204  -3.792   5.630
  213    HE1  TYR  29           1HE      TYR  29 -15.221  -7.714   5.975
  214    HE2  TYR  29           2HE      TYR  29 -12.462  -5.327   3.704
  215    HH   TYR  29           HH       TYR  29 -14.893  -7.381   3.301
  216    H    ASP  30           HN       ASP  30 -14.830  -0.351   7.867
  217    HA   ASP  30           HA       ASP  30 -14.393   1.460   9.214
  218    HB2  ASP  30           2HB      ASP  30 -16.326   0.322  10.385
  219    HB3  ASP  30           1HB      ASP  30 -15.142  -0.415  11.462
  220    H    TYR  31           HN       TYR  31 -12.103   0.004   8.550
  221    HA   TYR  31           HA       TYR  31 -10.503  -0.649  10.810
  222    HB2  TYR  31           2HB      TYR  31  -9.911  -1.539   8.649
  223    HB3  TYR  31           1HB      TYR  31  -9.768   0.082   7.968
  224    HD1  TYR  31           1HD      TYR  31  -8.367  -2.131  10.639
  225    HD2  TYR  31           2HD      TYR  31  -7.717   1.233   8.049
  226    HE1  TYR  31           1HE      TYR  31  -5.995  -2.036  11.357
  227    HE2  TYR  31           2HE      TYR  31  -5.345   1.328   8.767
  228    HH   TYR  31           HH       TYR  31  -3.689   0.102   9.799
  Start of MODEL    8
    1    H1   PCA   1           HN       PCA   1   7.218  -2.387   5.951
    2    HA   PCA   1           HA       PCA   1   7.468  -2.435   3.320
    3    HB2  PCA   1           2HB      PCA   1   5.012  -3.970   2.985
    4    HB3  PCA   1           1HB      PCA   1   6.665  -4.366   2.418
    5    HG2  PCA   1           1HG      PCA   1   6.917  -5.865   4.110
    6    HG3  PCA   1           2HG      PCA   1   5.246  -5.514   4.655
    7    H    TRP   2           HN       TRP   2   6.940  -0.339   3.380
    8    HA   TRP   2           HA       TRP   2   4.401   0.576   4.275
    9    HB2  TRP   2           2HB      TRP   2   6.425   2.014   4.138
   10    HB3  TRP   2           1HB      TRP   2   6.329   1.935   2.379
   11    HD1  TRP   2           HD       TRP   2   4.580   3.409   5.423
   12    HE1  TRP   2           1HE      TRP   2   2.910   5.209   4.639
   13    HE3  TRP   2           3HE      TRP   2   4.823   2.694   0.374
   14    HZ2  TRP   2           2HZ      TRP   2   1.821   6.214   2.192
   15    HZ3  TRP   2           3HZ      TRP   2   3.460   4.087  -1.160
   16    HH2  TRP   2           HH       TRP   2   1.962   5.843  -0.259
   17    H    CYS   3           HN       CYS   3   2.494   0.716   3.254
   18    HA   CYS   3           HA       CYS   3   2.427   0.123   0.354
   19    HB2  CYS   3           2HB      CYS   3   0.411  -0.616   2.486
   20    HB3  CYS   3           1HB      CYS   3   0.215  -0.903   0.756
   21    H    GLN   4           HN       GLN   4   0.885   1.195  -0.894
   22    HA   GLN   4           HA       GLN   4   0.237   3.833   0.066
   23    HB2  GLN   4           2HB      GLN   4  -0.852   3.273  -2.538
   24    HB3  GLN   4           1HB      GLN   4   0.435   4.394  -2.100
   25    HG2  GLN   4           2HG      GLN   4   2.030   2.462  -2.066
   26    HG3  GLN   4           1HG      GLN   4   0.728   1.428  -2.656
   27   HE21  GLN   4          1HE2      GLN   4   1.088   1.066  -4.845
   28   HE22  GLN   4          2HE2      GLN   4   1.535   2.260  -5.965
   29    HA   PRO   5           HA       PRO   5  -4.063   3.409   0.958
   30    HB2  PRO   5           2HB      PRO   5  -4.865   5.239  -1.222
   31    HB3  PRO   5           1HB      PRO   5  -5.101   5.399   0.526
   32    HG2  PRO   5           2HG      PRO   5  -3.333   6.869  -0.845
   33    HG3  PRO   5           1HG      PRO   5  -3.087   6.406   0.844
   34    HD2  PRO   5           2HD      PRO   5  -1.769   5.353  -1.619
   35    HD3  PRO   5           1HD      PRO   5  -1.156   5.494   0.040
   36    H    GLY   6           HN       GLY   6  -5.641   2.001   0.414
   37    HA2  GLY   6           2HA      GLY   6  -7.100   0.752  -0.907
   38    HA3  GLY   6           1HA      GLY   6  -6.410   1.515  -2.334
   39    H    TYR   7           HN       TYR   7  -3.857   0.453  -0.535
   40    HA   TYR   7           HA       TYR   7  -3.785  -2.172  -1.896
   41    HB2  TYR   7           2HB      TYR   7  -1.654  -0.098  -1.580
   42    HB3  TYR   7           1HB      TYR   7  -1.223  -1.777  -1.806
   43    HD1  TYR   7           1HD      TYR   7  -3.549   0.792  -3.256
   44    HD2  TYR   7           2HD      TYR   7  -0.955  -2.551  -3.975
   45    HE1  TYR   7           1HE      TYR   7  -3.959   1.002  -5.693
   46    HE2  TYR   7           2HE      TYR   7  -1.370  -2.348  -6.415
   47    HH   TYR   7           HH       TYR   7  -2.065  -0.499  -8.008
   48    H    ALA   8           HN       ALA   8  -2.254  -3.699  -0.866
   49    HA   ALA   8           HA       ALA   8  -1.849  -3.273   2.001
   50    HB1  ALA   8           1HB      ALA   8  -3.159  -5.810   1.022
   51    HB2  ALA   8           2HB      ALA   8  -4.102  -4.423   1.569
   52    HB3  ALA   8           3HB      ALA   8  -2.995  -5.230   2.680
   53    H    TYR   9           HN       TYR   9  -0.005  -4.177   2.727
   54    HA   TYR   9           HA       TYR   9   2.020  -4.955   1.067
   55    HB2  TYR   9           2HB      TYR   9   2.559  -4.409   3.311
   56    HB3  TYR   9           1HB      TYR   9   1.510  -5.679   3.938
   57    HD1  TYR   9           2HD      TYR   9   3.999  -5.813   1.117
   58    HD2  TYR   9           1HD      TYR   9   2.934  -7.175   5.053
   59    HE1  TYR   9           2HE      TYR   9   5.875  -7.402   1.066
   60    HE2  TYR   9           1HE      TYR   9   4.821  -8.780   5.000
   61    HH   TYR   9           HH       TYR   9   6.839  -9.148   2.097
   62    H    ASN  10           HN       ASN  10   2.654  -6.772   0.050
   63    HA   ASN  10           HA       ASN  10   1.019  -9.183   0.468
   64    HB2  ASN  10           2HB      ASN  10   1.048  -7.774  -1.790
   65    HB3  ASN  10           1HB      ASN  10   2.411  -8.830  -2.101
   66   HD21  ASN  10          1HD2      ASN  10   1.998 -11.136  -2.282
   67   HD22  ASN  10          2HD2      ASN  10   0.426 -11.747  -2.433
   68    HA   PRO  11           HA       PRO  11   5.317 -10.465   1.528
   69    HB2  PRO  11           2HB      PRO  11   4.596 -12.421   3.315
   70    HB3  PRO  11           1HB      PRO  11   4.758 -10.713   3.736
   71    HG2  PRO  11           2HG      PRO  11   2.329 -12.308   3.276
   72    HG3  PRO  11           1HG      PRO  11   2.588 -10.943   4.359
   73    HD2  PRO  11           2HD      PRO  11   1.281 -10.821   1.916
   74    HD3  PRO  11           1HD      PRO  11   1.969  -9.424   2.757
   75    H    VAL  12           HN       VAL  12   2.853 -11.851  -0.186
   76    HA   VAL  12           HA       VAL  12   4.243 -14.421  -0.573
   77    HB   VAL  12           HB       VAL  12   1.533 -13.575  -1.620
   78   HG11  VAL  12          1HG1      VAL  12   1.258 -16.062  -1.825
   79   HG12  VAL  12          2HG1      VAL  12   2.952 -16.243  -1.367
   80   HG13  VAL  12          3HG1      VAL  12   2.526 -15.414  -2.864
   81   HG21  VAL  12          3HG2      VAL  12   2.352 -15.008   0.921
   82   HG22  VAL  12          1HG2      VAL  12   0.722 -15.109   0.254
   83   HG23  VAL  12          2HG2      VAL  12   1.367 -13.551   0.775
   84    H    LEU  13           HN       LEU  13   3.724 -11.356  -1.963
   85    HA   LEU  13           HA       LEU  13   4.690 -12.318  -4.570
   86    HB2  LEU  13           2HB      LEU  13   2.869 -11.170  -5.294
   87    HB3  LEU  13           1HB      LEU  13   2.715 -10.271  -3.799
   88    HG   LEU  13           HG       LEU  13   4.547  -8.775  -4.486
   89   HD11  LEU  13          1HD1      LEU  13   4.581  -9.499  -7.303
   90   HD12  LEU  13          2HD1      LEU  13   5.090 -10.871  -6.329
   91   HD13  LEU  13          3HD1      LEU  13   5.947  -9.338  -6.198
   92   HD21  LEU  13          3HD2      LEU  13   2.311  -8.095  -5.054
   93   HD22  LEU  13          1HD2      LEU  13   2.314  -9.092  -6.505
   94   HD23  LEU  13          2HD2      LEU  13   3.375  -7.689  -6.394
   95    H    GLY  14           HN       GLY  14   5.082  -9.816  -2.079
   96    HA2  GLY  14           2HA      GLY  14   7.452  -9.425  -1.420
   97    HA3  GLY  14           1HA      GLY  14   7.800  -9.287  -3.138
   98    H    ILE  15           HN       ILE  15   4.830  -7.870  -2.696
   99    HA   ILE  15           HA       ILE  15   5.764  -5.295  -1.728
  100    HB   ILE  15           HB       ILE  15   5.008  -4.113  -3.791
  101   HG12  ILE  15          2HG1      ILE  15   5.253  -6.673  -5.326
  102   HG13  ILE  15          1HG1      ILE  15   3.738  -6.378  -4.485
  103   HG21  ILE  15          1HG2      ILE  15   7.169  -6.128  -4.438
  104   HG22  ILE  15          2HG2      ILE  15   7.425  -4.805  -3.302
  105   HG23  ILE  15          3HG2      ILE  15   7.045  -4.457  -4.988
  106   HD11  ILE  15          3HD1      ILE  15   4.100  -5.499  -6.951
  107   HD12  ILE  15          1HD1      ILE  15   4.899  -4.165  -6.121
  108   HD13  ILE  15          2HD1      ILE  15   3.211  -4.539  -5.769
  109    H    CYS  16           HN       CYS  16   3.711  -3.697  -2.504
  110    HA   CYS  16           HA       CYS  16   1.461  -4.886  -1.087
  111    HB2  CYS  16           2HB      CYS  16   1.734  -2.052  -2.080
  112    HB3  CYS  16           1HB      CYS  16   0.656  -2.661  -0.826
  113    H    THR  17           HN       THR  17  -0.535  -5.179  -1.918
  114    HA   THR  17           HA       THR  17  -0.870  -4.681  -4.818
  115    HB   THR  17           HB       THR  17  -2.096  -6.800  -4.991
  116    HG1  THR  17           1HG      THR  17  -2.860  -7.287  -3.056
  117   HG21  THR  17          3HG2      THR  17   0.712  -6.813  -3.914
  118   HG22  THR  17          1HG2      THR  17   0.168  -7.017  -5.579
  119   HG23  THR  17          2HG2      THR  17  -0.080  -8.310  -4.406
  120    H    ILE  18           HN       ILE  18  -3.040  -4.353  -5.522
  121    HA   ILE  18           HA       ILE  18  -4.559  -2.705  -3.900
  122    HB   ILE  18           HB       ILE  18  -4.611  -2.982  -6.443
  123   HG12  ILE  18          2HG1      ILE  18  -7.359  -2.938  -5.202
  124   HG13  ILE  18          1HG1      ILE  18  -6.220  -1.634  -4.889
  125   HG21  ILE  18          1HG2      ILE  18  -6.030  -4.621  -7.370
  126   HG22  ILE  18          2HG2      ILE  18  -6.813  -4.945  -5.823
  127   HG23  ILE  18          3HG2      ILE  18  -5.161  -5.497  -6.109
  128   HD11  ILE  18          3HD1      ILE  18  -7.904  -1.720  -7.031
  129   HD12  ILE  18          1HD1      ILE  18  -6.427  -2.380  -7.719
  130   HD13  ILE  18          2HD1      ILE  18  -6.410  -0.789  -6.963
  131    H    THR  19           HN       THR  19  -6.099  -3.035  -2.400
  132    HA   THR  19           HA       THR  19  -6.672  -5.800  -1.644
  133    HB   THR  19           HB       THR  19  -6.100  -4.555   0.248
  134    HG1  THR  19           1HG      THR  19  -7.826  -5.195   1.214
  135   HG21  THR  19          3HG2      THR  19  -7.538  -2.293   0.529
  136   HG22  THR  19          1HG2      THR  19  -7.447  -2.366  -1.230
  137   HG23  THR  19          2HG2      THR  19  -5.968  -2.337  -0.268
  138    H    LEU  20           HN       LEU  20  -8.887  -6.425  -1.093
  139    HA   LEU  20           HA       LEU  20 -10.706  -5.942  -3.178
  140    HB2  LEU  20           2HB      LEU  20 -10.682  -7.980  -1.764
  141    HB3  LEU  20           1HB      LEU  20 -11.348  -7.014  -0.445
  142    HG   LEU  20           HG       LEU  20 -13.295  -6.425  -1.882
  143   HD11  LEU  20          1HD1      LEU  20 -12.745  -6.571  -4.118
  144   HD12  LEU  20          2HD1      LEU  20 -13.436  -8.180  -3.919
  145   HD13  LEU  20          3HD1      LEU  20 -11.687  -7.960  -3.873
  146   HD21  LEU  20          3HD2      LEU  20 -13.507  -9.261  -2.205
  147   HD22  LEU  20          1HD2      LEU  20 -14.274  -8.223  -1.007
  148   HD23  LEU  20          2HD2      LEU  20 -12.676  -8.897  -0.696
  149    H    SER  21           HN       SER  21 -10.152  -4.341  -0.154
  150    HA   SER  21           HA       SER  21 -12.591  -3.095   0.325
  151    HB2  SER  21           2HB      SER  21 -10.658  -2.956   1.848
  152    HB3  SER  21           1HB      SER  21  -9.831  -1.917   0.693
  153    HG   SER  21           HG       SER  21 -12.177  -1.420   2.186
  154    H    ARG  22           HN       ARG  22 -10.048  -2.250  -1.981
  155    HA   ARG  22           HA       ARG  22 -10.602   0.270  -2.764
  156    HB2  ARG  22           2HB      ARG  22  -8.988  -1.353  -3.865
  157    HB3  ARG  22           1HB      ARG  22 -10.357  -1.969  -4.786
  158    HG2  ARG  22           2HG      ARG  22  -9.586  -0.341  -6.254
  159    HG3  ARG  22           1HG      ARG  22 -10.725   0.615  -5.317
  160    HD2  ARG  22           2HD      ARG  22  -8.895   1.385  -3.855
  161    HD3  ARG  22           1HD      ARG  22  -7.751   0.419  -4.777
  162    HE   ARG  22           HE       ARG  22  -9.087   2.118  -6.571
  163   HH11  ARG  22          1HH2      ARG  22  -6.934   2.246  -3.866
  164   HH12  ARG  22          2HH2      ARG  22  -6.158   3.708  -4.374
  165   HH21  ARG  22          1HH1      ARG  22  -8.074   4.036  -7.246
  166   HH22  ARG  22          2HH1      ARG  22  -6.804   4.722  -6.288
  167    H    ILE  23           HN       ILE  23 -12.670  -2.514  -3.199
  168    HA   ILE  23           HA       ILE  23 -14.743  -0.719  -4.303
  169    HB   ILE  23           HB       ILE  23 -14.390  -3.622  -5.066
  170   HG12  ILE  23          2HG1      ILE  23 -13.658  -1.169  -6.699
  171   HG13  ILE  23          1HG1      ILE  23 -12.475  -2.128  -5.815
  172   HG21  ILE  23          1HG2      ILE  23 -16.523  -1.810  -5.296
  173   HG22  ILE  23          2HG2      ILE  23 -16.348  -3.347  -6.146
  174   HG23  ILE  23          3HG2      ILE  23 -15.782  -1.856  -6.898
  175   HD11  ILE  23          3HD1      ILE  23 -13.371  -2.617  -8.406
  176   HD12  ILE  23          1HD1      ILE  23 -14.216  -3.811  -7.420
  177   HD13  ILE  23          2HD1      ILE  23 -12.454  -3.728  -7.386
  178    H    GLU  24           HN       GLU  24 -15.034  -0.723  -1.832
  179    HA   GLU  24           HA       GLU  24 -17.179  -2.611  -1.218
  180    HB2  GLU  24           2HB      GLU  24 -14.719  -2.267   0.495
  181    HB3  GLU  24           1HB      GLU  24 -16.206  -3.017   1.069
  182    HG2  GLU  24           2HG      GLU  24 -16.055  -4.653  -0.808
  183    HG3  GLU  24           1HG      GLU  24 -14.503  -3.956  -1.248
  184    H    HIS  25           HN       HIS  25 -17.404   0.069  -1.866
  185    HA   HIS  25           HA       HIS  25 -18.840   1.080   0.373
  186    HB2  HIS  25           2HB      HIS  25 -17.180   3.231   0.277
  187    HB3  HIS  25           1HB      HIS  25 -17.029   1.941   1.461
  188    HD2  HIS  25           2HD      HIS  25 -14.641   0.504   1.279
  189    HE1  HIS  25           1HE      HIS  25 -13.362   2.033  -2.438
  190    HE2  HIS  25           2HE      HIS  25 -12.706   0.582  -0.464
  191    HA   PRO  26           HA       PRO  26 -19.560   2.719  -4.024
  192    HB2  PRO  26           2HB      PRO  26 -22.055   1.583  -4.326
  193    HB3  PRO  26           1HB      PRO  26 -20.548   0.830  -4.880
  194    HG2  PRO  26           2HG      PRO  26 -22.140   0.299  -2.423
  195    HG3  PRO  26           1HG      PRO  26 -21.286  -0.834  -3.485
  196    HD2  PRO  26           2HD      PRO  26 -20.272  -0.042  -1.090
  197    HD3  PRO  26           1HD      PRO  26 -19.235  -0.449  -2.475
  198    H    GLY  27           HN       GLY  27 -21.572   2.391  -1.148
  199    HA2  GLY  27           2HA      GLY  27 -23.477   4.389  -1.728
  200    HA3  GLY  27           1HA      GLY  27 -23.040   3.830  -0.117
  201    H    ASN  28           HN       ASN  28 -20.340   4.527  -0.055
  202    HA   ASN  28           HA       ASN  28 -20.508   7.293   0.597
  203    HB2  ASN  28           2HB      ASN  28 -18.196   5.362   0.428
  204    HB3  ASN  28           1HB      ASN  28 -18.001   7.044   0.916
  205   HD21  ASN  28          1HD2      ASN  28 -17.451   4.871   2.718
  206   HD22  ASN  28          2HD2      ASN  28 -18.599   4.923   3.968
  207    H    TYR  29           HN       TYR  29 -19.162   5.486  -2.113
  208    HA   TYR  29           HA       TYR  29 -18.560   8.055  -3.462
  209    HB2  TYR  29           2HB      TYR  29 -17.348   5.324  -3.951
  210    HB3  TYR  29           1HB      TYR  29 -16.927   6.811  -4.802
  211    HD1  TYR  29           1HD      TYR  29 -15.678   8.598  -3.693
  212    HD2  TYR  29           2HD      TYR  29 -16.705   4.980  -1.619
  213    HE1  TYR  29           1HE      TYR  29 -14.072   9.174  -1.892
  214    HE2  TYR  29           2HE      TYR  29 -15.102   5.555   0.182
  215    HH   TYR  29           HH       TYR  29 -13.868   8.553   0.654
  216    H    ASP  30           HN       ASP  30 -21.059   7.723  -3.757
  217    HA   ASP  30           HA       ASP  30 -22.037   5.826  -5.592
  218    HB2  ASP  30           2HB      ASP  30 -22.989   8.594  -4.853
  219    HB3  ASP  30           1HB      ASP  30 -23.879   7.530  -5.940
  220    H    TYR  31           HN       TYR  31 -20.655   9.053  -6.050
  221    HA   TYR  31           HA       TYR  31 -20.093  10.218  -7.961
  222    HB2  TYR  31           2HB      TYR  31 -18.266   8.671  -7.988
  223    HB3  TYR  31           1HB      TYR  31 -19.283   7.388  -8.645
  224    HD1  TYR  31           1HD      TYR  31 -17.898  10.771  -9.404
  225    HD2  TYR  31           2HD      TYR  31 -19.577   7.144 -10.979
  226    HE1  TYR  31           1HE      TYR  31 -17.362  11.523 -11.705
  227    HE2  TYR  31           2HE      TYR  31 -19.042   7.896 -13.281
  228    HH   TYR  31           HH       TYR  31 -17.106   9.679 -14.227
  Start of MODEL    9
    1    H1   PCA   1           HN       PCA   1   8.520  -1.627   3.931
    2    HA   PCA   1           HA       PCA   1   6.946  -3.191   2.559
    3    HB2  PCA   1           2HB      PCA   1   5.262  -3.921   4.798
    4    HB3  PCA   1           1HB      PCA   1   6.294  -4.991   3.798
    5    HG2  PCA   1           1HG      PCA   1   7.816  -5.134   5.481
    6    HG3  PCA   1           2HG      PCA   1   6.776  -4.090   6.501
    7    H    TRP   2           HN       TRP   2   7.053  -0.434   3.305
    8    HA   TRP   2           HA       TRP   2   4.514   0.384   4.270
    9    HB2  TRP   2           2HB      TRP   2   6.519   1.853   4.192
   10    HB3  TRP   2           1HB      TRP   2   6.393   1.887   2.432
   11    HD1  TRP   2           HD       TRP   2   4.691   3.147   5.594
   12    HE1  TRP   2           1HE      TRP   2   2.984   4.971   4.957
   13    HE3  TRP   2           3HE      TRP   2   4.831   2.747   0.506
   14    HZ2  TRP   2           2HZ      TRP   2   1.831   6.110   2.600
   15    HZ3  TRP   2           3HZ      TRP   2   3.420   4.211  -0.910
   16    HH2  TRP   2           HH       TRP   2   1.921   5.891   0.130
   17    H    CYS   3           HN       CYS   3   2.592   0.624   3.275
   18    HA   CYS   3           HA       CYS   3   2.484   0.161   0.353
   19    HB2  CYS   3           2HB      CYS   3   0.490  -0.668   2.473
   20    HB3  CYS   3           1HB      CYS   3   0.265  -0.866   0.734
   21    H    GLN   4           HN       GLN   4   0.826   1.247  -0.835
   22    HA   GLN   4           HA       GLN   4   0.211   3.849   0.273
   23    HB2  GLN   4           2HB      GLN   4  -0.844   3.497  -2.358
   24    HB3  GLN   4           1HB      GLN   4   0.487   4.532  -1.844
   25    HG2  GLN   4           2HG      GLN   4   2.010   2.560  -1.968
   26    HG3  GLN   4           1HG      GLN   4   0.668   1.594  -2.579
   27   HE21  GLN   4          1HE2      GLN   4   2.509   1.520  -4.411
   28   HE22  GLN   4          2HE2      GLN   4   2.320   2.674  -5.641
   29    HA   PRO   5           HA       PRO   5  -4.107   3.362   1.070
   30    HB2  PRO   5           2HB      PRO   5  -4.858   5.306  -1.042
   31    HB3  PRO   5           1HB      PRO   5  -5.160   5.364   0.703
   32    HG2  PRO   5           2HG      PRO   5  -3.357   6.926  -0.506
   33    HG3  PRO   5           1HG      PRO   5  -3.162   6.354   1.156
   34    HD2  PRO   5           2HD      PRO   5  -1.758   5.474  -1.324
   35    HD3  PRO   5           1HD      PRO   5  -1.201   5.504   0.361
   36    H    GLY   6           HN       GLY   6  -5.692   1.997   0.416
   37    HA2  GLY   6           2HA      GLY   6  -7.107   0.811  -1.007
   38    HA3  GLY   6           1HA      GLY   6  -6.352   1.618  -2.377
   39    H    TYR   7           HN       TYR   7  -3.868   0.501  -0.539
   40    HA   TYR   7           HA       TYR   7  -3.778  -2.109  -1.926
   41    HB2  TYR   7           2HB      TYR   7  -1.652  -0.030  -1.614
   42    HB3  TYR   7           1HB      TYR   7  -1.225  -1.703  -1.867
   43    HD1  TYR   7           2HD      TYR   7  -3.465   0.960  -3.273
   44    HD2  TYR   7           1HD      TYR   7  -1.069  -2.518  -4.034
   45    HE1  TYR   7           2HE      TYR   7  -3.908   1.188  -5.702
   46    HE2  TYR   7           1HE      TYR   7  -1.524  -2.302  -6.466
   47    HH   TYR   7           HH       TYR   7  -2.684   0.457  -7.869
   48    H    ALA   8           HN       ALA   8  -2.245  -3.636  -0.899
   49    HA   ALA   8           HA       ALA   8  -1.784  -3.204   1.957
   50    HB1  ALA   8           1HB      ALA   8  -3.166  -4.836   2.733
   51    HB2  ALA   8           2HB      ALA   8  -2.943  -5.850   1.308
   52    HB3  ALA   8           3HB      ALA   8  -4.065  -4.490   1.256
   53    H    TYR   9           HN       TYR   9   0.043  -4.175   2.675
   54    HA   TYR   9           HA       TYR   9   2.010  -4.987   0.966
   55    HB2  TYR   9           2HB      TYR   9   2.525  -4.404   3.255
   56    HB3  TYR   9           1HB      TYR   9   1.625  -5.803   3.837
   57    HD1  TYR   9           2HD      TYR   9   4.055  -5.502   0.970
   58    HD2  TYR   9           1HD      TYR   9   3.194  -7.251   4.802
   59    HE1  TYR   9           2HE      TYR   9   6.073  -6.905   0.779
   60    HE2  TYR   9           1HE      TYR   9   5.226  -8.666   4.604
   61    HH   TYR   9           HH       TYR   9   7.321  -8.472   1.722
   62    H    ASN  10           HN       ASN  10   2.664  -6.850   0.022
   63    HA   ASN  10           HA       ASN  10   0.953  -9.220   0.442
   64    HB2  ASN  10           2HB      ASN  10   1.025  -7.822  -1.832
   65    HB3  ASN  10           1HB      ASN  10   2.394  -8.874  -2.115
   66   HD21  ASN  10          1HD2      ASN  10   1.993 -11.152  -2.393
   67   HD22  ASN  10          2HD2      ASN  10   0.428 -11.788  -2.522
   68    HA   PRO  11           HA       PRO  11   5.249 -10.436   1.689
   69    HB2  PRO  11           2HB      PRO  11   3.900 -12.480   3.280
   70    HB3  PRO  11           1HB      PRO  11   4.945 -11.161   3.816
   71    HG2  PRO  11           2HG      PRO  11   2.254 -11.290   4.265
   72    HG3  PRO  11           1HG      PRO  11   3.199  -9.798   4.248
   73    HD2  PRO  11           2HD      PRO  11   1.340 -10.868   2.192
   74    HD3  PRO  11           1HD      PRO  11   1.777  -9.191   2.560
   75    H    VAL  12           HN       VAL  12   2.847 -11.798  -0.157
   76    HA   VAL  12           HA       VAL  12   4.248 -14.374  -0.487
   77    HB   VAL  12           HB       VAL  12   1.567 -13.562  -1.636
   78   HG11  VAL  12          1HG1      VAL  12   3.287 -15.794  -2.037
   79   HG12  VAL  12          2HG1      VAL  12   1.646 -15.578  -2.638
   80   HG13  VAL  12          3HG1      VAL  12   1.919 -16.362  -1.083
   81   HG21  VAL  12          3HG2      VAL  12   0.602 -14.868   0.249
   82   HG22  VAL  12          1HG2      VAL  12   1.473 -13.443   0.817
   83   HG23  VAL  12          2HG2      VAL  12   2.218 -15.038   0.937
   84    H    LEU  13           HN       LEU  13   3.699 -11.336  -1.941
   85    HA   LEU  13           HA       LEU  13   4.754 -12.321  -4.507
   86    HB2  LEU  13           2HB      LEU  13   2.932 -11.210  -5.282
   87    HB3  LEU  13           1HB      LEU  13   2.743 -10.282  -3.809
   88    HG   LEU  13           HG       LEU  13   4.574  -8.783  -4.490
   89   HD11  LEU  13          1HD1      LEU  13   5.184 -10.904  -6.267
   90   HD12  LEU  13          2HD1      LEU  13   6.000  -9.349  -6.179
   91   HD13  LEU  13          3HD1      LEU  13   4.651  -9.574  -7.291
   92   HD21  LEU  13          3HD2      LEU  13   3.423  -7.752  -6.452
   93   HD22  LEU  13          1HD2      LEU  13   2.348  -8.116  -5.108
   94   HD23  LEU  13          2HD2      LEU  13   2.365  -9.163  -6.525
   95    H    GLY  14           HN       GLY  14   5.081  -9.822  -2.021
   96    HA2  GLY  14           2HA      GLY  14   7.427  -9.396  -1.325
   97    HA3  GLY  14           1HA      GLY  14   7.811  -9.274  -3.034
   98    H    ILE  15           HN       ILE  15   4.849  -7.873  -2.795
   99    HA   ILE  15           HA       ILE  15   5.734  -5.274  -1.807
  100    HB   ILE  15           HB       ILE  15   5.009  -4.129  -3.899
  101   HG12  ILE  15          2HG1      ILE  15   5.279  -6.707  -5.400
  102   HG13  ILE  15          1HG1      ILE  15   3.755  -6.416  -4.576
  103   HG21  ILE  15          1HG2      ILE  15   7.190  -6.166  -4.420
  104   HG22  ILE  15          2HG2      ILE  15   7.411  -4.760  -3.379
  105   HG23  ILE  15          3HG2      ILE  15   7.058  -4.540  -5.093
  106   HD11  ILE  15          3HD1      ILE  15   3.225  -4.584  -5.881
  107   HD12  ILE  15          1HD1      ILE  15   4.119  -5.560  -7.048
  108   HD13  ILE  15          2HD1      ILE  15   4.915  -4.214  -6.234
  109    H    CYS  16           HN       CYS  16   3.699  -3.680  -2.602
  110    HA   CYS  16           HA       CYS  16   1.441  -4.857  -1.194
  111    HB2  CYS  16           2HB      CYS  16   1.700  -2.037  -2.218
  112    HB3  CYS  16           1HB      CYS  16   0.651  -2.639  -0.936
  113    H    THR  17           HN       THR  17  -0.554  -5.125  -2.016
  114    HA   THR  17           HA       THR  17  -0.909  -4.638  -4.912
  115    HB   THR  17           HB       THR  17  -2.088  -6.778  -5.109
  116    HG1  THR  17           1HG      THR  17  -2.809  -7.488  -3.271
  117   HG21  THR  17          3HG2      THR  17  -0.084  -8.263  -4.691
  118   HG22  THR  17          1HG2      THR  17   0.699  -6.871  -3.945
  119   HG23  THR  17          2HG2      THR  17   0.247  -6.820  -5.649
  120    H    ILE  18           HN       ILE  18  -3.075  -4.298  -5.591
  121    HA   ILE  18           HA       ILE  18  -4.608  -2.706  -3.930
  122    HB   ILE  18           HB       ILE  18  -4.679  -2.999  -6.501
  123   HG12  ILE  18          2HG1      ILE  18  -7.416  -2.882  -5.270
  124   HG13  ILE  18          1HG1      ILE  18  -6.249  -1.620  -4.899
  125   HG21  ILE  18          1HG2      ILE  18  -6.900  -4.906  -5.802
  126   HG22  ILE  18          2HG2      ILE  18  -5.267  -5.483  -6.147
  127   HG23  ILE  18          3HG2      ILE  18  -6.168  -4.598  -7.378
  128   HD11  ILE  18          3HD1      ILE  18  -7.143  -2.434  -7.666
  129   HD12  ILE  18          1HD1      ILE  18  -5.923  -1.214  -7.307
  130   HD13  ILE  18          2HD1      ILE  18  -7.590  -0.963  -6.814
  131    H    THR  19           HN       THR  19  -6.170  -3.059  -2.458
  132    HA   THR  19           HA       THR  19  -6.628  -5.820  -1.634
  133    HB   THR  19           HB       THR  19  -6.207  -4.565   0.255
  134    HG1  THR  19           1HG      THR  19  -8.844  -3.830   0.381
  135   HG21  THR  19          3HG2      THR  19  -7.401  -2.243   0.490
  136   HG22  THR  19          1HG2      THR  19  -7.569  -2.362  -1.261
  137   HG23  THR  19          2HG2      THR  19  -5.966  -2.382  -0.523
  138    H    LEU  20           HN       LEU  20  -8.899  -6.389  -0.898
  139    HA   LEU  20           HA       LEU  20 -10.662  -6.174  -3.103
  140    HB2  LEU  20           2HB      LEU  20 -10.853  -7.333  -0.337
  141    HB3  LEU  20           1HB      LEU  20 -12.280  -7.224  -1.351
  142    HG   LEU  20           HG       LEU  20 -11.042  -9.423  -1.550
  143   HD11  LEU  20          1HD1      LEU  20 -12.224  -7.864  -3.544
  144   HD12  LEU  20          2HD1      LEU  20 -11.862  -9.582  -3.654
  145   HD13  LEU  20          3HD1      LEU  20 -10.709  -8.396  -4.263
  146   HD21  LEU  20          3HD2      LEU  20  -8.895  -9.502  -2.567
  147   HD22  LEU  20          1HD2      LEU  20  -8.778  -8.205  -1.380
  148   HD23  LEU  20          2HD2      LEU  20  -8.992  -7.820  -3.087
  149    H    SER  21           HN       SER  21 -10.005  -4.083  -0.542
  150    HA   SER  21           HA       SER  21 -12.548  -3.008   0.025
  151    HB2  SER  21           2HB      SER  21 -11.320  -1.051   0.850
  152    HB3  SER  21           1HB      SER  21 -10.542  -2.539   1.382
  153    HG   SER  21           HG       SER  21  -9.785  -1.317  -1.038
  154    H    ARG  22           HN       ARG  22 -10.404  -2.642  -2.673
  155    HA   ARG  22           HA       ARG  22 -11.315  -0.196  -3.699
  156    HB2  ARG  22           2HB      ARG  22  -9.289  -1.379  -4.532
  157    HB3  ARG  22           1HB      ARG  22 -10.320  -2.611  -5.250
  158    HG2  ARG  22           2HG      ARG  22  -9.896  -1.151  -7.069
  159    HG3  ARG  22           1HG      ARG  22 -11.456  -0.600  -6.488
  160    HD2  ARG  22           2HD      ARG  22 -10.404   1.200  -5.216
  161    HD3  ARG  22           1HD      ARG  22  -8.810   0.616  -5.663
  162    HE   ARG  22           HE       ARG  22  -9.096   1.599  -7.758
  163   HH11  ARG  22          1HH2      ARG  22 -12.071   1.464  -5.995
  164   HH12  ARG  22          2HH2      ARG  22 -12.934   2.475  -7.106
  165   HH21  ARG  22          1HH1      ARG  22 -10.221   2.923  -9.219
  166   HH22  ARG  22          2HH1      ARG  22 -11.887   3.301  -8.931
  167    H    ILE  23           HN       ILE  23 -12.538  -3.492  -4.055
  168    HA   ILE  23           HA       ILE  23 -14.329  -3.316  -6.079
  169    HB   ILE  23           HB       ILE  23 -14.907  -4.534  -3.380
  170   HG12  ILE  23          2HG1      ILE  23 -12.779  -5.338  -4.343
  171   HG13  ILE  23          1HG1      ILE  23 -14.000  -6.605  -4.402
  172   HG21  ILE  23          1HG2      ILE  23 -16.059  -6.075  -5.392
  173   HG22  ILE  23          2HG2      ILE  23 -16.394  -4.417  -5.886
  174   HG23  ILE  23          3HG2      ILE  23 -16.923  -4.988  -4.302
  175   HD11  ILE  23          3HD1      ILE  23 -14.450  -5.572  -6.823
  176   HD12  ILE  23          1HD1      ILE  23 -13.158  -6.739  -6.568
  177   HD13  ILE  23          2HD1      ILE  23 -12.795  -5.016  -6.643
  178    H    GLU  24           HN       GLU  24 -15.841  -3.090  -2.952
  179    HA   GLU  24           HA       GLU  24 -17.024  -0.499  -3.639
  180    HB2  GLU  24           2HB      GLU  24 -18.614  -3.006  -3.063
  181    HB3  GLU  24           1HB      GLU  24 -19.299  -1.381  -3.056
  182    HG2  GLU  24           2HG      GLU  24 -18.558  -1.076  -5.402
  183    HG3  GLU  24           1HG      GLU  24 -17.929  -2.721  -5.405
  184    H    HIS  25           HN       HIS  25 -15.223  -0.414  -1.788
  185    HA   HIS  25           HA       HIS  25 -16.730  -0.434   0.769
  186    HB2  HIS  25           2HB      HIS  25 -13.801  -1.106   0.486
  187    HB3  HIS  25           1HB      HIS  25 -14.779  -1.177   1.948
  188    HD2  HIS  25           2HD      HIS  25 -14.514  -3.142  -1.484
  189    HE1  HIS  25           1HE      HIS  25 -16.636  -5.519   1.283
  190    HE2  HIS  25           2HE      HIS  25 -15.622  -5.465  -1.042
  191    HA   PRO  26           HA       PRO  26 -14.814   3.732  -0.425
  192    HB2  PRO  26           2HB      PRO  26 -17.126   5.154   0.120
  193    HB3  PRO  26           1HB      PRO  26 -16.671   4.552  -1.485
  194    HG2  PRO  26           2HG      PRO  26 -18.554   3.395   0.509
  195    HG3  PRO  26           1HG      PRO  26 -18.695   3.492  -1.256
  196    HD2  PRO  26           2HD      PRO  26 -18.006   1.202  -0.034
  197    HD3  PRO  26           1HD      PRO  26 -17.316   1.647  -1.607
  198    H    GLY  27           HN       GLY  27 -16.504   2.366   2.255
  199    HA2  GLY  27           2HA      GLY  27 -16.301   4.439   4.153
  200    HA3  GLY  27           1HA      GLY  27 -16.381   2.718   4.526
  201    H    ASN  28           HN       ASN  28 -14.038   1.895   3.178
  202    HA   ASN  28           HA       ASN  28 -12.083   2.390   5.160
  203    HB2  ASN  28           2HB      ASN  28 -11.929   1.149   2.415
  204    HB3  ASN  28           1HB      ASN  28 -10.535   1.260   3.489
  205   HD21  ASN  28          1HD2      ASN  28 -11.697  -1.268   2.675
  206   HD22  ASN  28          2HD2      ASN  28 -12.335  -2.007   4.063
  207    H    TYR  29           HN       TYR  29 -12.608   3.718   1.937
  208    HA   TYR  29           HA       TYR  29 -10.195   5.298   1.977
  209    HB2  TYR  29           2HB      TYR  29 -12.611   5.369   0.151
  210    HB3  TYR  29           1HB      TYR  29 -11.134   6.301  -0.098
  211    HD1  TYR  29           1HD      TYR  29 -12.618   2.929  -0.088
  212    HD2  TYR  29           2HD      TYR  29  -9.049   5.223  -0.752
  213    HE1  TYR  29           1HE      TYR  29 -11.563   0.970  -1.185
  214    HE2  TYR  29           2HE      TYR  29  -7.994   3.266  -1.848
  215    HH   TYR  29           HH       TYR  29  -9.541   0.109  -1.853
  216    H    ASP  30           HN       ASP  30 -13.251   5.580   3.363
  217    HA   ASP  30           HA       ASP  30 -14.344   7.277   4.462
  218    HB2  ASP  30           2HB      ASP  30 -12.048   7.425   5.521
  219    HB3  ASP  30           1HB      ASP  30 -11.692   8.721   4.381
  220    H    TYR  31           HN       TYR  31 -14.659   7.270   1.710
  221    HA   TYR  31           HA       TYR  31 -15.135  10.118   1.228
  222    HB2  TYR  31           2HB      TYR  31 -12.968   9.719   0.167
  223    HB3  TYR  31           1HB      TYR  31 -13.633   8.341  -0.709
  224    HD1  TYR  31           2HD      TYR  31 -14.041  12.020  -0.209
  225    HD2  TYR  31           1HD      TYR  31 -14.756   8.643  -2.766
  226    HE1  TYR  31           2HE      TYR  31 -14.843  13.542  -1.995
  227    HE2  TYR  31           1HE      TYR  31 -15.558  10.165  -4.552
  228    HH   TYR  31           HH       TYR  31 -16.657  12.749  -4.407
  Start of MODEL   10
    1    H1   PCA   1           HN       PCA   1   7.318  -2.384   5.931
    2    HA   PCA   1           HA       PCA   1   7.435  -2.460   3.323
    3    HB2  PCA   1           2HB      PCA   1   5.001  -3.933   2.925
    4    HB3  PCA   1           1HB      PCA   1   6.671  -4.477   2.573
    5    HG2  PCA   1           1HG      PCA   1   6.539  -5.915   4.333
    6    HG3  PCA   1           2HG      PCA   1   4.932  -5.263   4.787
    7    H    TRP   2           HN       TRP   2   6.938  -0.354   3.393
    8    HA   TRP   2           HA       TRP   2   4.402   0.584   4.280
    9    HB2  TRP   2           2HB      TRP   2   6.420   2.010   4.183
   10    HB3  TRP   2           1HB      TRP   2   6.382   1.918   2.422
   11    HD1  TRP   2           HD       TRP   2   4.556   3.444   5.394
   12    HE1  TRP   2           1HE      TRP   2   2.928   5.251   4.537
   13    HE3  TRP   2           3HE      TRP   2   4.941   2.660   0.365
   14    HZ2  TRP   2           2HZ      TRP   2   1.923   6.234   2.046
   15    HZ3  TRP   2           3HZ      TRP   2   3.640   4.046  -1.229
   16    HH2  TRP   2           HH       TRP   2   2.132   5.829  -0.395
   17    H    CYS   3           HN       CYS   3   2.502   0.704   3.255
   18    HA   CYS   3           HA       CYS   3   2.449   0.173   0.343
   19    HB2  CYS   3           2HB      CYS   3   0.449  -0.651   2.457
   20    HB3  CYS   3           1HB      CYS   3   0.236  -0.879   0.722
   21    H    GLN   4           HN       GLN   4   0.956   1.294  -0.904
   22    HA   GLN   4           HA       GLN   4   0.275   3.887   0.130
   23    HB2  GLN   4           2HB      GLN   4  -0.835   3.422  -2.466
   24    HB3  GLN   4           1HB      GLN   4   0.502   4.482  -2.021
   25    HG2  GLN   4           2HG      GLN   4   2.028   2.502  -2.086
   26    HG3  GLN   4           1HG      GLN   4   0.675   1.520  -2.649
   27   HE21  GLN   4          1HE2      GLN   4   3.333   3.067  -3.816
   28   HE22  GLN   4          2HE2      GLN   4   2.778   3.469  -5.369
   29    HA   PRO   5           HA       PRO   5  -4.028   3.422   1.033
   30    HB2  PRO   5           2HB      PRO   5  -4.834   5.303  -1.111
   31    HB3  PRO   5           1HB      PRO   5  -5.081   5.415   0.640
   32    HG2  PRO   5           2HG      PRO   5  -3.316   6.935  -0.675
   33    HG3  PRO   5           1HG      PRO   5  -3.069   6.416   0.997
   34    HD2  PRO   5           2HD      PRO   5  -1.742   5.449  -1.494
   35    HD3  PRO   5           1HD      PRO   5  -1.131   5.542   0.169
   36    H    GLY   6           HN       GLY   6  -5.628   2.038   0.451
   37    HA2  GLY   6           2HA      GLY   6  -7.077   0.820  -0.906
   38    HA3  GLY   6           1HA      GLY   6  -6.366   1.605  -2.311
   39    H    TYR   7           HN       TYR   7  -3.834   0.518  -0.522
   40    HA   TYR   7           HA       TYR   7  -3.773  -2.102  -1.890
   41    HB2  TYR   7           2HB      TYR   7  -1.645  -0.016  -1.615
   42    HB3  TYR   7           1HB      TYR   7  -1.211  -1.694  -1.842
   43    HD1  TYR   7           2HD      TYR   7  -3.522   0.896  -3.284
   44    HD2  TYR   7           1HD      TYR   7  -1.016  -2.513  -4.000
   45    HE1  TYR   7           2HE      TYR   7  -3.969   1.079  -5.716
   46    HE2  TYR   7           1HE      TYR   7  -1.468  -2.339  -6.434
   47    HH   TYR   7           HH       TYR   7  -3.812  -0.023  -7.701
   48    H    ALA   8           HN       ALA   8  -2.208  -3.617  -0.872
   49    HA   ALA   8           HA       ALA   8  -1.761  -3.186   1.981
   50    HB1  ALA   8           1HB      ALA   8  -3.101  -4.873   2.752
   51    HB2  ALA   8           2HB      ALA   8  -2.952  -5.817   1.270
   52    HB3  ALA   8           3HB      ALA   8  -4.046  -4.434   1.330
   53    H    TYR   9           HN       TYR   9   0.042  -4.193   2.714
   54    HA   TYR   9           HA       TYR   9   2.022  -4.993   1.005
   55    HB2  TYR   9           2HB      TYR   9   2.531  -4.432   3.300
   56    HB3  TYR   9           1HB      TYR   9   1.602  -5.816   3.872
   57    HD1  TYR   9           2HD      TYR   9   4.066  -5.539   1.033
   58    HD2  TYR   9           1HD      TYR   9   3.123  -7.302   4.839
   59    HE1  TYR   9           2HE      TYR   9   6.064  -6.979   0.859
   60    HE2  TYR   9           1HE      TYR   9   5.131  -8.750   4.660
   61    HH   TYR   9           HH       TYR   9   7.477  -8.321   2.074
   62    H    ASN  10           HN       ASN  10   2.642  -6.848   0.031
   63    HA   ASN  10           HA       ASN  10   0.914  -9.214   0.430
   64    HB2  ASN  10           2HB      ASN  10   1.012  -7.791  -1.826
   65    HB3  ASN  10           1HB      ASN  10   2.371  -8.857  -2.114
   66   HD21  ASN  10          1HD2      ASN  10   1.939 -11.125  -2.425
   67   HD22  ASN  10          2HD2      ASN  10   0.366 -11.738  -2.566
   68    HA   PRO  11           HA       PRO  11   5.189 -10.497   1.668
   69    HB2  PRO  11           2HB      PRO  11   3.832 -12.547   3.237
   70    HB3  PRO  11           1HB      PRO  11   4.876 -11.235   3.796
   71    HG2  PRO  11           2HG      PRO  11   2.174 -11.376   4.213
   72    HG3  PRO  11           1HG      PRO  11   3.127  -9.890   4.251
   73    HD2  PRO  11           2HD      PRO  11   1.272 -10.879   2.153
   74    HD3  PRO  11           1HD      PRO  11   1.741  -9.219   2.558
   75    H    VAL  12           HN       VAL  12   2.786 -11.805  -0.214
   76    HA   VAL  12           HA       VAL  12   4.159 -14.396  -0.569
   77    HB   VAL  12           HB       VAL  12   1.490 -13.559  -1.720
   78   HG11  VAL  12          1HG1      VAL  12   3.174 -15.780  -2.155
   79   HG12  VAL  12          2HG1      VAL  12   1.498 -15.605  -2.666
   80   HG13  VAL  12          3HG1      VAL  12   1.874 -16.364  -1.120
   81   HG21  VAL  12          3HG2      VAL  12   1.256 -13.416   0.673
   82   HG22  VAL  12          1HG2      VAL  12   2.170 -14.907   0.908
   83   HG23  VAL  12          2HG2      VAL  12   0.563 -14.961   0.182
   84    H    LEU  13           HN       LEU  13   3.656 -11.333  -1.980
   85    HA   LEU  13           HA       LEU  13   4.697 -12.297  -4.564
   86    HB2  LEU  13           2HB      LEU  13   2.878 -11.171  -5.320
   87    HB3  LEU  13           1HB      LEU  13   2.714 -10.245  -3.844
   88    HG   LEU  13           HG       LEU  13   4.553  -8.765  -4.540
   89   HD11  LEU  13          1HD1      LEU  13   5.128 -10.894  -6.329
   90   HD12  LEU  13          2HD1      LEU  13   5.974  -9.357  -6.228
   91   HD13  LEU  13          3HD1      LEU  13   4.618  -9.550  -7.339
   92   HD21  LEU  13          3HD2      LEU  13   2.314  -8.106  -5.155
   93   HD22  LEU  13          1HD2      LEU  13   2.352  -9.123  -6.591
   94   HD23  LEU  13          2HD2      LEU  13   3.405  -7.711  -6.479
   95    H    GLY  14           HN       GLY  14   5.051  -9.843  -2.038
   96    HA2  GLY  14           2HA      GLY  14   7.396  -9.429  -1.335
   97    HA3  GLY  14           1HA      GLY  14   7.786  -9.296  -3.043
   98    H    ILE  15           HN       ILE  15   4.841  -7.871  -2.814
   99    HA   ILE  15           HA       ILE  15   5.755  -5.281  -1.813
  100    HB   ILE  15           HB       ILE  15   5.032  -4.122  -3.895
  101   HG12  ILE  15          2HG1      ILE  15   5.260  -6.694  -5.406
  102   HG13  ILE  15          1HG1      ILE  15   3.745  -6.388  -4.571
  103   HG21  ILE  15          1HG2      ILE  15   7.436  -4.850  -3.374
  104   HG22  ILE  15          2HG2      ILE  15   7.076  -4.499  -5.063
  105   HG23  ILE  15          3HG2      ILE  15   7.169  -6.172  -4.510
  106   HD11  ILE  15          3HD1      ILE  15   4.108  -5.527  -7.042
  107   HD12  ILE  15          1HD1      ILE  15   4.921  -4.191  -6.225
  108   HD13  ILE  15          2HD1      ILE  15   3.229  -4.547  -5.867
  109    H    CYS  16           HN       CYS  16   3.728  -3.667  -2.589
  110    HA   CYS  16           HA       CYS  16   1.475  -4.824  -1.160
  111    HB2  CYS  16           2HB      CYS  16   1.768  -2.011  -2.206
  112    HB3  CYS  16           1HB      CYS  16   0.685  -2.590  -0.942
  113    H    THR  17           HN       THR  17  -0.511  -5.113  -1.975
  114    HA   THR  17           HA       THR  17  -0.887  -4.640  -4.875
  115    HB   THR  17           HB       THR  17  -2.065  -6.780  -5.048
  116    HG1  THR  17           1HG      THR  17  -2.812  -7.217  -3.072
  117   HG21  THR  17          3HG2      THR  17   0.734  -6.814  -3.926
  118   HG22  THR  17          1HG2      THR  17   0.242  -6.873  -5.617
  119   HG23  THR  17          2HG2      THR  17  -0.043  -8.261  -4.567
  120    H    ILE  18           HN       ILE  18  -3.089  -4.372  -5.547
  121    HA   ILE  18           HA       ILE  18  -4.605  -2.740  -3.904
  122    HB   ILE  18           HB       ILE  18  -4.719  -3.001  -6.441
  123   HG12  ILE  18          2HG1      ILE  18  -7.458  -3.165  -5.241
  124   HG13  ILE  18          1HG1      ILE  18  -6.410  -1.821  -4.796
  125   HG21  ILE  18          1HG2      ILE  18  -6.829  -5.057  -5.874
  126   HG22  ILE  18          2HG2      ILE  18  -5.146  -5.566  -6.044
  127   HG23  ILE  18          3HG2      ILE  18  -5.957  -4.742  -7.375
  128   HD11  ILE  18          3HD1      ILE  18  -6.786  -2.545  -7.682
  129   HD12  ILE  18          1HD1      ILE  18  -6.299  -1.006  -6.974
  130   HD13  ILE  18          2HD1      ILE  18  -7.975  -1.541  -6.851
  131    H    THR  19           HN       THR  19  -6.093  -3.080  -2.377
  132    HA   THR  19           HA       THR  19  -6.574  -5.815  -1.509
  133    HB   THR  19           HB       THR  19  -6.184  -4.495   0.344
  134    HG1  THR  19           1HG      THR  19  -7.976  -5.073   1.227
  135   HG21  THR  19          3HG2      THR  19  -7.497  -2.196   0.473
  136   HG22  THR  19          1HG2      THR  19  -7.500  -2.366  -1.282
  137   HG23  THR  19          2HG2      THR  19  -5.972  -2.324  -0.400
  138    H    LEU  20           HN       LEU  20  -8.757  -6.542  -0.967
  139    HA   LEU  20           HA       LEU  20 -10.528  -6.421  -3.118
  140    HB2  LEU  20           2HB      LEU  20 -10.551  -8.240  -1.479
  141    HB3  LEU  20           1HB      LEU  20 -11.111  -7.125  -0.232
  142    HG   LEU  20           HG       LEU  20 -12.732  -7.061  -2.684
  143   HD11  LEU  20          1HD1      LEU  20 -13.883  -9.229  -1.989
  144   HD12  LEU  20          2HD1      LEU  20 -12.433  -9.576  -1.045
  145   HD13  LEU  20          3HD1      LEU  20 -12.325  -9.402  -2.796
  146   HD21  LEU  20          3HD2      LEU  20 -13.589  -7.678   0.148
  147   HD22  LEU  20          1HD2      LEU  20 -14.512  -6.879  -1.124
  148   HD23  LEU  20          2HD2      LEU  20 -13.172  -6.039  -0.345
  149    H    SER  21           HN       SER  21 -10.233  -4.420  -0.298
  150    HA   SER  21           HA       SER  21 -12.752  -3.221  -0.211
  151    HB2  SER  21           2HB      SER  21 -11.672  -1.373   0.939
  152    HB3  SER  21           1HB      SER  21 -10.950  -2.887   1.476
  153    HG   SER  21           HG       SER  21  -9.513  -2.296  -0.528
  154    H    ARG  22           HN       ARG  22 -10.190  -2.864  -2.525
  155    HA   ARG  22           HA       ARG  22 -11.581  -0.561  -3.755
  156    HB2  ARG  22           2HB      ARG  22  -9.057  -0.477  -3.099
  157    HB3  ARG  22           1HB      ARG  22  -8.830  -1.461  -4.544
  158    HG2  ARG  22           2HG      ARG  22  -9.985   0.238  -5.902
  159    HG3  ARG  22           1HG      ARG  22 -10.247   1.220  -4.462
  160    HD2  ARG  22           2HD      ARG  22  -7.785   1.347  -4.142
  161    HD3  ARG  22           1HD      ARG  22  -7.564   0.447  -5.637
  162    HE   ARG  22           HE       ARG  22  -8.365   3.233  -5.389
  163   HH11  ARG  22          1HH2      ARG  22  -8.177   0.383  -7.344
  164   HH12  ARG  22          2HH2      ARG  22  -8.261   1.241  -8.847
  165   HH21  ARG  22          1HH1      ARG  22  -8.474   4.365  -7.355
  166   HH22  ARG  22          2HH1      ARG  22  -8.429   3.495  -8.854
  167    H    ILE  23           HN       ILE  23 -12.389  -3.379  -3.962
  168    HA   ILE  23           HA       ILE  23 -12.223  -3.638  -6.888
  169    HB   ILE  23           HB       ILE  23 -12.143  -5.942  -4.939
  170   HG12  ILE  23          2HG1      ILE  23  -9.958  -4.767  -6.681
  171   HG13  ILE  23          1HG1      ILE  23 -10.064  -4.578  -4.938
  172   HG21  ILE  23          1HG2      ILE  23 -13.211  -6.427  -7.130
  173   HG22  ILE  23          2HG2      ILE  23 -11.677  -7.272  -6.957
  174   HG23  ILE  23          3HG2      ILE  23 -11.775  -5.819  -7.950
  175   HD11  ILE  23          3HD1      ILE  23  -8.856  -6.484  -4.779
  176   HD12  ILE  23          1HD1      ILE  23  -9.093  -6.855  -6.488
  177   HD13  ILE  23          2HD1      ILE  23 -10.313  -7.326  -5.305
  178    H    GLU  24           HN       GLU  24 -14.023  -4.136  -3.964
  179    HA   GLU  24           HA       GLU  24 -16.457  -4.722  -5.552
  180    HB2  GLU  24           2HB      GLU  24 -15.654  -5.462  -2.765
  181    HB3  GLU  24           1HB      GLU  24 -17.294  -5.663  -3.382
  182    HG2  GLU  24           2HG      GLU  24 -16.452  -7.084  -5.207
  183    HG3  GLU  24           1HG      GLU  24 -14.804  -6.879  -4.615
  184    H    HIS  25           HN       HIS  25 -17.684  -2.958  -5.766
  185    HA   HIS  25           HA       HIS  25 -18.733  -1.591  -3.478
  186    HB2  HIS  25           2HB      HIS  25 -17.493   0.515  -5.060
  187    HB3  HIS  25           1HB      HIS  25 -17.390   0.219  -3.327
  188    HD2  HIS  25           2HD      HIS  25 -15.006  -1.012  -2.509
  189    HE1  HIS  25           1HE      HIS  25 -13.430  -1.689  -6.354
  190    HE2  HIS  25           2HE      HIS  25 -12.915  -1.769  -3.874
  191    HA   PRO  26           HA       PRO  26 -20.934  -1.485  -7.671
  192    HB2  PRO  26           2HB      PRO  26 -23.020  -3.126  -6.934
  193    HB3  PRO  26           1HB      PRO  26 -21.551  -3.691  -7.752
  194    HG2  PRO  26           2HG      PRO  26 -22.274  -3.796  -4.865
  195    HG3  PRO  26           1HG      PRO  26 -21.441  -4.998  -5.867
  196    HD2  PRO  26           2HD      PRO  26 -20.103  -3.372  -4.145
  197    HD3  PRO  26           1HD      PRO  26 -19.383  -3.938  -5.667
  198    H    GLY  27           HN       GLY  27 -21.924  -1.280  -4.316
  199    HA2  GLY  27           2HA      GLY  27 -24.418   0.004  -4.681
  200    HA3  GLY  27           1HA      GLY  27 -23.451   0.042  -3.211
  201    H    ASN  28           HN       ASN  28 -21.258   1.081  -5.221
  202    HA   ASN  28           HA       ASN  28 -21.365   3.771  -4.467
  203    HB2  ASN  28           2HB      ASN  28 -19.323   2.557  -5.246
  204    HB3  ASN  28           1HB      ASN  28 -19.959   2.633  -6.888
  205   HD21  ASN  28          1HD2      ASN  28 -18.298   4.074  -7.681
  206   HD22  ASN  28          2HD2      ASN  28 -18.187   5.687  -7.164
  207    H    TYR  29           HN       TYR  29 -22.520   2.119  -7.362
  208    HA   TYR  29           HA       TYR  29 -23.761   4.655  -8.239
  209    HB2  TYR  29           2HB      TYR  29 -23.811   3.526 -10.520
  210    HB3  TYR  29           1HB      TYR  29 -22.228   4.032  -9.927
  211    HD1  TYR  29           2HD      TYR  29 -20.597   2.402  -9.127
  212    HD2  TYR  29           1HD      TYR  29 -24.434   1.168 -10.613
  213    HE1  TYR  29           2HE      TYR  29 -19.793   0.065  -9.259
  214    HE2  TYR  29           1HE      TYR  29 -23.630  -1.168 -10.748
  215    HH   TYR  29           HH       TYR  29 -21.789  -2.486 -10.694
  216    H    ASP  30           HN       ASP  30 -24.964   2.987  -6.288
  217    HA   ASP  30           HA       ASP  30 -26.820   1.148  -7.331
  218    HB2  ASP  30           2HB      ASP  30 -28.034   1.462  -5.220
  219    HB3  ASP  30           1HB      ASP  30 -26.303   1.332  -4.932
  220    H    TYR  31           HN       TYR  31 -26.784   4.618  -7.317
  221    HA   TYR  31           HA       TYR  31 -28.260   6.196  -8.101
  222    HB2  TYR  31           2HB      TYR  31 -27.973   5.144 -10.226
  223    HB3  TYR  31           1HB      TYR  31 -29.021   3.800  -9.776
  224    HD1  TYR  31           1HD      TYR  31 -28.991   7.490 -10.344
  225    HD2  TYR  31           2HD      TYR  31 -31.358   3.912 -10.122
  226    HE1  TYR  31           1HE      TYR  31 -30.960   8.740 -11.186
  227    HE2  TYR  31           2HE      TYR  31 -33.326   5.162 -10.965
  228    HH   TYR  31           HH       TYR  31 -33.068   8.313 -12.299
  Start of MODEL   11
    1    H1   PCA   1           HN       PCA   1   8.205  -1.681   4.297
    2    HA   PCA   1           HA       PCA   1   6.687  -3.282   2.860
    3    HB2  PCA   1           2HB      PCA   1   4.869  -3.833   5.060
    4    HB3  PCA   1           1HB      PCA   1   5.851  -4.995   4.115
    5    HG2  PCA   1           1HG      PCA   1   7.304  -5.198   5.854
    6    HG3  PCA   1           2HG      PCA   1   6.333  -4.029   6.804
    7    H    TRP   2           HN       TRP   2   6.877  -0.508   3.508
    8    HA   TRP   2           HA       TRP   2   4.343   0.472   4.307
    9    HB2  TRP   2           2HB      TRP   2   6.383   1.859   4.266
   10    HB3  TRP   2           1HB      TRP   2   6.399   1.770   2.504
   11    HD1  TRP   2           HD       TRP   2   4.523   3.345   5.419
   12    HE1  TRP   2           1HE      TRP   2   2.960   5.183   4.510
   13    HE3  TRP   2           3HE      TRP   2   5.028   2.530   0.406
   14    HZ2  TRP   2           2HZ      TRP   2   2.044   6.176   1.987
   15    HZ3  TRP   2           3HZ      TRP   2   3.802   3.936  -1.229
   16    HH2  TRP   2           HH       TRP   2   2.311   5.755  -0.443
   17    H    CYS   3           HN       CYS   3   2.472   0.675   3.246
   18    HA   CYS   3           HA       CYS   3   2.454   0.199   0.323
   19    HB2  CYS   3           2HB      CYS   3   0.406  -0.694   2.367
   20    HB3  CYS   3           1HB      CYS   3   0.267  -0.900   0.621
   21    H    GLN   4           HN       GLN   4   0.811   1.290  -0.870
   22    HA   GLN   4           HA       GLN   4   0.161   3.868   0.268
   23    HB2  GLN   4           2HB      GLN   4  -0.886   3.532  -2.372
   24    HB3  GLN   4           1HB      GLN   4   0.430   4.576  -1.842
   25    HG2  GLN   4           2HG      GLN   4   1.980   2.623  -1.991
   26    HG3  GLN   4           1HG      GLN   4   0.646   1.649  -2.607
   27   HE21  GLN   4          1HE2      GLN   4   3.278   3.364  -3.655
   28   HE22  GLN   4          2HE2      GLN   4   2.737   3.785  -5.208
   29    HA   PRO   5           HA       PRO   5  -4.161   3.331   1.052
   30    HB2  PRO   5           2HB      PRO   5  -4.913   5.246  -1.091
   31    HB3  PRO   5           1HB      PRO   5  -5.269   5.297   0.644
   32    HG2  PRO   5           2HG      PRO   5  -3.476   6.900  -0.500
   33    HG3  PRO   5           1HG      PRO   5  -3.296   6.314   1.157
   34    HD2  PRO   5           2HD      PRO   5  -1.819   5.501  -1.304
   35    HD3  PRO   5           1HD      PRO   5  -1.301   5.520   0.395
   36    H    GLY   6           HN       GLY   6  -5.704   1.920   0.399
   37    HA2  GLY   6           2HA      GLY   6  -7.096   0.706  -1.023
   38    HA3  GLY   6           1HA      GLY   6  -6.350   1.516  -2.395
   39    H    TYR   7           HN       TYR   7  -3.855   0.457  -0.548
   40    HA   TYR   7           HA       TYR   7  -3.718  -2.166  -1.899
   41    HB2  TYR   7           2HB      TYR   7  -1.598  -0.066  -1.587
   42    HB3  TYR   7           1HB      TYR   7  -1.184  -1.742  -1.877
   43    HD1  TYR   7           2HD      TYR   7  -3.462   0.925  -3.227
   44    HD2  TYR   7           1HD      TYR   7  -1.003  -2.496  -4.059
   45    HE1  TYR   7           2HE      TYR   7  -3.923   1.185  -5.651
   46    HE2  TYR   7           1HE      TYR   7  -1.471  -2.242  -6.482
   47    HH   TYR   7           HH       TYR   7  -3.622  -1.034  -7.824
   48    H    ALA   8           HN       ALA   8  -2.209  -3.666  -0.864
   49    HA   ALA   8           HA       ALA   8  -1.729  -3.204   1.982
   50    HB1  ALA   8           1HB      ALA   8  -3.682  -4.309   2.412
   51    HB2  ALA   8           2HB      ALA   8  -2.647  -5.718   2.178
   52    HB3  ALA   8           3HB      ALA   8  -3.677  -5.151   0.862
   53    H    TYR   9           HN       TYR   9   0.105  -4.163   2.684
   54    HA   TYR   9           HA       TYR   9   2.042  -4.994   0.945
   55    HB2  TYR   9           2HB      TYR   9   2.589  -4.380   3.231
   56    HB3  TYR   9           1HB      TYR   9   1.708  -5.782   3.834
   57    HD1  TYR   9           2HD      TYR   9   4.103  -5.484   0.933
   58    HD2  TYR   9           1HD      TYR   9   3.279  -7.207   4.786
   59    HE1  TYR   9           2HE      TYR   9   6.130  -6.881   0.740
   60    HE2  TYR   9           1HE      TYR   9   5.315  -8.614   4.585
   61    HH   TYR   9           HH       TYR   9   7.445  -8.595   3.387
   62    H    ASN  10           HN       ASN  10   2.666  -6.854   0.014
   63    HA   ASN  10           HA       ASN  10   0.963  -9.226   0.470
   64    HB2  ASN  10           2HB      ASN  10   1.025  -7.828  -1.802
   65    HB3  ASN  10           1HB      ASN  10   2.392  -8.881  -2.096
   66   HD21  ASN  10          1HD2      ASN  10   1.985 -11.170  -2.343
   67   HD22  ASN  10          2HD2      ASN  10   0.416 -11.802  -2.468
   68    HA   PRO  11           HA       PRO  11   5.276 -10.434   1.667
   69    HB2  PRO  11           2HB      PRO  11   3.965 -12.456   3.311
   70    HB3  PRO  11           1HB      PRO  11   5.019 -11.132   3.815
   71    HG2  PRO  11           2HG      PRO  11   2.334 -11.261   4.297
   72    HG3  PRO  11           1HG      PRO  11   3.281  -9.770   4.262
   73    HD2  PRO  11           2HD      PRO  11   1.379 -10.839   2.245
   74    HD3  PRO  11           1HD      PRO  11   1.839  -9.163   2.591
   75    H    VAL  12           HN       VAL  12   2.847 -11.802  -0.136
   76    HA   VAL  12           HA       VAL  12   4.233 -14.391  -0.453
   77    HB   VAL  12           HB       VAL  12   1.537 -13.597  -1.570
   78   HG11  VAL  12          1HG1      VAL  12   3.232 -15.822  -1.991
   79   HG12  VAL  12          2HG1      VAL  12   1.554 -15.648  -2.498
   80   HG13  VAL  12          3HG1      VAL  12   1.933 -16.388  -0.944
   81   HG21  VAL  12          3HG2      VAL  12   2.196 -15.056   1.010
   82   HG22  VAL  12          1HG2      VAL  12   0.577 -14.816   0.352
   83   HG23  VAL  12          2HG2      VAL  12   1.522 -13.431   0.897
   84    H    LEU  13           HN       LEU  13   3.698 -11.367  -1.915
   85    HA   LEU  13           HA       LEU  13   4.699 -12.372  -4.496
   86    HB2  LEU  13           2HB      LEU  13   2.873 -11.272  -5.250
   87    HB3  LEU  13           1HB      LEU  13   2.718 -10.325  -3.788
   88    HG   LEU  13           HG       LEU  13   4.525  -8.831  -4.535
   89   HD11  LEU  13          1HD1      LEU  13   4.563  -9.663  -7.319
   90   HD12  LEU  13          2HD1      LEU  13   5.117 -10.982  -6.299
   91   HD13  LEU  13          3HD1      LEU  13   5.935  -9.424  -6.239
   92   HD21  LEU  13          3HD2      LEU  13   2.289  -9.266  -6.537
   93   HD22  LEU  13          1HD2      LEU  13   3.338  -7.849  -6.500
   94   HD23  LEU  13          2HD2      LEU  13   2.285  -8.204  -5.133
   95    H    GLY  14           HN       GLY  14   5.071  -9.854  -2.031
   96    HA2  GLY  14           2HA      GLY  14   7.425  -9.393  -1.360
   97    HA3  GLY  14           1HA      GLY  14   7.787  -9.307  -3.077
   98    H    ILE  15           HN       ILE  15   4.830  -7.881  -2.855
   99    HA   ILE  15           HA       ILE  15   5.761  -5.271  -1.921
  100    HB   ILE  15           HB       ILE  15   5.019  -4.154  -4.022
  101   HG12  ILE  15          2HG1      ILE  15   5.263  -6.744  -5.484
  102   HG13  ILE  15          1HG1      ILE  15   3.748  -6.443  -4.643
  103   HG21  ILE  15          1HG2      ILE  15   7.164  -6.212  -4.581
  104   HG22  ILE  15          2HG2      ILE  15   7.426  -4.846  -3.496
  105   HG23  ILE  15          3HG2      ILE  15   7.060  -4.563  -5.197
  106   HD11  ILE  15          3HD1      ILE  15   4.919  -4.289  -6.368
  107   HD12  ILE  15          1HD1      ILE  15   3.233  -4.585  -5.937
  108   HD13  ILE  15          2HD1      ILE  15   4.037  -5.623  -7.117
  109    H    CYS  16           HN       CYS  16   3.735  -3.659  -2.661
  110    HA   CYS  16           HA       CYS  16   1.477  -4.808  -1.224
  111    HB2  CYS  16           2HB      CYS  16   1.794  -1.989  -2.257
  112    HB3  CYS  16           1HB      CYS  16   0.707  -2.569  -0.999
  113    H    THR  17           HN       THR  17  -0.492  -5.117  -2.040
  114    HA   THR  17           HA       THR  17  -0.885  -4.626  -4.934
  115    HB   THR  17           HB       THR  17  -2.099  -6.756  -5.084
  116    HG1  THR  17           1HG      THR  17  -1.531  -8.165  -3.150
  117   HG21  THR  17          3HG2      THR  17   0.280  -7.920  -4.007
  118   HG22  THR  17          1HG2      THR  17   0.697  -6.380  -4.757
  119   HG23  THR  17          2HG2      THR  17  -0.127  -7.623  -5.698
  120    H    ILE  18           HN       ILE  18  -3.074  -4.309  -5.596
  121    HA   ILE  18           HA       ILE  18  -4.575  -2.699  -3.921
  122    HB   ILE  18           HB       ILE  18  -4.674  -2.917  -6.470
  123   HG12  ILE  18          2HG1      ILE  18  -7.430  -2.996  -5.288
  124   HG13  ILE  18          1HG1      ILE  18  -6.339  -1.702  -4.811
  125   HG21  ILE  18          1HG2      ILE  18  -6.809  -4.957  -5.870
  126   HG22  ILE  18          2HG2      ILE  18  -5.146  -5.457  -6.176
  127   HG23  ILE  18          3HG2      ILE  18  -6.046  -4.584  -7.417
  128   HD11  ILE  18          3HD1      ILE  18  -6.281  -0.773  -6.898
  129   HD12  ILE  18          1HD1      ILE  18  -7.904  -1.456  -6.933
  130   HD13  ILE  18          2HD1      ILE  18  -6.572  -2.310  -7.715
  131    H    THR  19           HN       THR  19  -6.062  -3.058  -2.402
  132    HA   THR  19           HA       THR  19  -6.607  -5.824  -1.659
  133    HB   THR  19           HB       THR  19  -6.083  -4.648   0.256
  134    HG1  THR  19           1HG      THR  19  -8.194  -4.064   1.220
  135   HG21  THR  19          3HG2      THR  19  -5.801  -2.449  -0.470
  136   HG22  THR  19          1HG2      THR  19  -7.180  -2.305   0.620
  137   HG23  THR  19          2HG2      THR  19  -7.436  -2.348  -1.126
  138    H    LEU  20           HN       LEU  20  -8.865  -6.391  -0.972
  139    HA   LEU  20           HA       LEU  20 -10.676  -5.970  -3.088
  140    HB2  LEU  20           2HB      LEU  20 -10.999  -7.167  -0.357
  141    HB3  LEU  20           1HB      LEU  20 -12.254  -7.174  -1.587
  142    HG   LEU  20           HG       LEU  20  -9.472  -8.308  -1.963
  143   HD11  LEU  20          1HD1      LEU  20 -10.899  -9.507  -0.318
  144   HD12  LEU  20          2HD1      LEU  20 -10.520 -10.469  -1.749
  145   HD13  LEU  20          3HD1      LEU  20 -12.104  -9.712  -1.584
  146   HD21  LEU  20          3HD2      LEU  20 -11.063  -9.475  -3.844
  147   HD22  LEU  20          1HD2      LEU  20 -10.101  -8.029  -4.145
  148   HD23  LEU  20          2HD2      LEU  20 -11.811  -7.881  -3.747
  149    H    SER  21           HN       SER  21 -10.020  -4.270  -0.217
  150    HA   SER  21           HA       SER  21 -12.479  -3.101   0.388
  151    HB2  SER  21           2HB      SER  21  -9.686  -1.977   0.654
  152    HB3  SER  21           1HB      SER  21 -11.120  -1.223   1.344
  153    HG   SER  21           HG       SER  21 -10.128  -2.578   2.861
  154    H    ARG  22           HN       ARG  22 -10.279  -2.506  -2.226
  155    HA   ARG  22           HA       ARG  22 -11.010   0.092  -2.974
  156    HB2  ARG  22           2HB      ARG  22  -9.109  -1.085  -3.982
  157    HB3  ARG  22           1HB      ARG  22 -10.211  -2.229  -4.747
  158    HG2  ARG  22           2HG      ARG  22 -10.902   0.580  -5.268
  159    HG3  ARG  22           1HG      ARG  22  -9.322   0.116  -5.900
  160    HD2  ARG  22           2HD      ARG  22 -10.260  -1.671  -7.185
  161    HD3  ARG  22           1HD      ARG  22 -11.812  -1.538  -6.369
  162    HE   ARG  22           HE       ARG  22 -12.324   0.318  -7.712
  163   HH11  ARG  22          1HH2      ARG  22  -9.050  -0.728  -8.109
  164   HH12  ARG  22          2HH2      ARG  22  -8.770   0.231  -9.521
  165   HH21  ARG  22          1HH1      ARG  22 -11.964   1.579  -9.565
  166   HH22  ARG  22          2HH1      ARG  22 -10.418   1.537 -10.346
  167    H    ILE  23           HN       ILE  23 -12.558  -3.016  -3.569
  168    HA   ILE  23           HA       ILE  23 -14.323  -2.603  -5.566
  169    HB   ILE  23           HB       ILE  23 -14.924  -3.795  -2.856
  170   HG12  ILE  23          2HG1      ILE  23 -14.345  -5.143  -5.509
  171   HG13  ILE  23          1HG1      ILE  23 -13.091  -4.792  -4.320
  172   HG21  ILE  23          1HG2      ILE  23 -17.082  -3.611  -3.611
  173   HG22  ILE  23          2HG2      ILE  23 -16.630  -5.028  -4.561
  174   HG23  ILE  23          3HG2      ILE  23 -16.582  -3.426  -5.292
  175   HD11  ILE  23          3HD1      ILE  23 -15.589  -6.371  -3.669
  176   HD12  ILE  23          1HD1      ILE  23 -14.144  -6.195  -2.675
  177   HD13  ILE  23          2HD1      ILE  23 -14.076  -7.125  -4.171
  178    H    GLU  24           HN       GLU  24 -15.976  -2.301  -2.545
  179    HA   GLU  24           HA       GLU  24 -16.774   0.460  -3.171
  180    HB2  GLU  24           2HB      GLU  24 -18.649  -1.855  -2.652
  181    HB3  GLU  24           1HB      GLU  24 -19.142  -0.162  -2.595
  182    HG2  GLU  24           2HG      GLU  24 -18.418   0.145  -4.916
  183    HG3  GLU  24           1HG      GLU  24 -17.877  -1.526  -4.984
  184    H    HIS  25           HN       HIS  25 -14.960  -0.613  -1.163
  185    HA   HIS  25           HA       HIS  25 -16.421   0.266   1.262
  186    HB2  HIS  25           2HB      HIS  25 -14.309  -1.894   1.148
  187    HB3  HIS  25           1HB      HIS  25 -15.215  -1.376   2.568
  188    HD2  HIS  25           2HD      HIS  25 -15.590  -3.852  -0.352
  189    HE1  HIS  25           1HE      HIS  25 -19.384  -3.577   1.475
  190    HE2  HIS  25           2HE      HIS  25 -17.990  -4.871  -0.203
  191    HA   PRO  26           HA       PRO  26 -12.418   2.629   0.321
  192    HB2  PRO  26           2HB      PRO  26 -13.603   5.120   0.357
  193    HB3  PRO  26           1HB      PRO  26 -13.345   4.162  -1.114
  194    HG2  PRO  26           2HG      PRO  26 -15.808   4.492   0.524
  195    HG3  PRO  26           1HG      PRO  26 -15.623   4.408  -1.237
  196    HD2  PRO  26           2HD      PRO  26 -16.492   2.296   0.214
  197    HD3  PRO  26           1HD      PRO  26 -15.511   2.087  -1.252
  198    H    GLY  27           HN       GLY  27 -14.993   2.726   2.607
  199    HA2  GLY  27           2HA      GLY  27 -14.016   4.568   4.484
  200    HA3  GLY  27           1HA      GLY  27 -15.078   3.212   4.854
  201    H    ASN  28           HN       ASN  28 -13.249   1.168   3.914
  202    HA   ASN  28           HA       ASN  28 -11.643  -0.211   4.804
  203    HB2  ASN  28           2HB      ASN  28 -10.284   2.426   5.395
  204    HB3  ASN  28           1HB      ASN  28  -9.504   0.846   5.362
  205   HD21  ASN  28          1HD2      ASN  28 -10.209  -0.378   3.107
  206   HD22  ASN  28          2HD2      ASN  28  -9.958   0.579   1.728
  207    H    TYR  29           HN       TYR  29 -13.813   0.478   6.507
  208    HA   TYR  29           HA       TYR  29 -14.479   0.296   8.701
  209    HB2  TYR  29           2HB      TYR  29 -11.683  -0.782   9.142
  210    HB3  TYR  29           1HB      TYR  29 -13.102  -1.066  10.150
  211    HD1  TYR  29           1HD      TYR  29 -14.950  -2.501   9.364
  212    HD2  TYR  29           2HD      TYR  29 -11.408  -1.899   7.007
  213    HE1  TYR  29           1HE      TYR  29 -15.570  -4.432   7.936
  214    HE2  TYR  29           2HE      TYR  29 -12.030  -3.827   5.579
  215    HH   TYR  29           HH       TYR  29 -14.807  -5.872   6.361
  216    H    ASP  30           HN       ASP  30 -12.764   2.661   7.684
  217    HA   ASP  30           HA       ASP  30 -11.824   4.580   8.531
  218    HB2  ASP  30           2HB      ASP  30 -14.167   4.605   9.490
  219    HB3  ASP  30           1HB      ASP  30 -13.482   3.949  10.976
  220    H    TYR  31           HN       TYR  31 -10.167   2.381   8.829
  221    HA   TYR  31           HA       TYR  31  -9.187   1.657  11.269
  222    HB2  TYR  31           2HB      TYR  31  -7.054   1.302  10.229
  223    HB3  TYR  31           1HB      TYR  31  -8.288   0.970   9.014
  224    HD1  TYR  31           2HD      TYR  31  -8.739   2.581   7.196
  225    HD2  TYR  31           1HD      TYR  31  -5.598   3.231  10.052
  226    HE1  TYR  31           2HE      TYR  31  -7.757   4.314   5.720
  227    HE2  TYR  31           1HE      TYR  31  -4.615   4.965   8.576
  228    HH   TYR  31           HH       TYR  31  -5.633   6.560   6.686
  Start of MODEL   12
    1    H1   PCA   1           HN       PCA   1   8.257  -1.657   4.320
    2    HA   PCA   1           HA       PCA   1   6.770  -3.238   2.833
    3    HB2  PCA   1           2HB      PCA   1   4.913  -3.830   4.989
    4    HB3  PCA   1           1HB      PCA   1   5.915  -4.974   4.042
    5    HG2  PCA   1           1HG      PCA   1   7.357  -5.194   5.787
    6    HG3  PCA   1           2HG      PCA   1   6.343  -4.078   6.756
    7    H    TRP   2           HN       TRP   2   6.930  -0.469   3.564
    8    HA   TRP   2           HA       TRP   2   4.392   0.494   4.331
    9    HB2  TRP   2           2HB      TRP   2   6.441   1.884   4.276
   10    HB3  TRP   2           1HB      TRP   2   6.426   1.811   2.514
   11    HD1  TRP   2           HD       TRP   2   4.608   3.355   5.478
   12    HE1  TRP   2           1HE      TRP   2   3.019   5.195   4.621
   13    HE3  TRP   2           3HE      TRP   2   5.001   2.586   0.446
   14    HZ2  TRP   2           2HZ      TRP   2   2.043   6.207   2.129
   15    HZ3  TRP   2           3HZ      TRP   2   3.732   4.001  -1.146
   16    HH2  TRP   2           HH       TRP   2   2.255   5.808  -0.311
   17    H    CYS   3           HN       CYS   3   2.515   0.690   3.266
   18    HA   CYS   3           HA       CYS   3   2.504   0.195   0.346
   19    HB2  CYS   3           2HB      CYS   3   0.461  -0.658   2.407
   20    HB3  CYS   3           1HB      CYS   3   0.278  -0.845   0.663
   21    H    GLN   4           HN       GLN   4   0.906   1.293  -0.873
   22    HA   GLN   4           HA       GLN   4   0.262   3.887   0.197
   23    HB2  GLN   4           2HB      GLN   4  -0.824   3.483  -2.414
   24    HB3  GLN   4           1HB      GLN   4   0.511   4.529  -1.937
   25    HG2  GLN   4           2HG      GLN   4   2.037   2.557  -2.041
   26    HG3  GLN   4           1HG      GLN   4   0.688   1.580  -2.619
   27   HE21  GLN   4          1HE2      GLN   4   3.331   3.237  -3.737
   28   HE22  GLN   4          2HE2      GLN   4   2.781   3.620  -5.296
   29    HA   PRO   5           HA       PRO   5  -4.041   3.408   1.073
   30    HB2  PRO   5           2HB      PRO   5  -4.839   5.322  -1.045
   31    HB3  PRO   5           1HB      PRO   5  -5.094   5.406   0.706
   32    HG2  PRO   5           2HG      PRO   5  -3.323   6.945  -0.575
   33    HG3  PRO   5           1HG      PRO   5  -3.086   6.402   1.092
   34    HD2  PRO   5           2HD      PRO   5  -1.747   5.476  -1.409
   35    HD3  PRO   5           1HD      PRO   5  -1.147   5.543   0.258
   36    H    GLY   6           HN       GLY   6  -5.630   2.028   0.471
   37    HA2  GLY   6           2HA      GLY   6  -7.082   0.829  -0.906
   38    HA3  GLY   6           1HA      GLY   6  -6.357   1.617  -2.303
   39    H    TYR   7           HN       TYR   7  -3.814   0.532  -0.542
   40    HA   TYR   7           HA       TYR   7  -3.761  -2.098  -1.894
   41    HB2  TYR   7           2HB      TYR   7  -1.617  -0.029  -1.615
   42    HB3  TYR   7           1HB      TYR   7  -1.207  -1.706  -1.879
   43    HD1  TYR   7           1HD      TYR   7  -3.488   0.950  -3.235
   44    HD2  TYR   7           2HD      TYR   7  -1.061  -2.494  -4.051
   45    HE1  TYR   7           1HE      TYR   7  -3.963   1.192  -5.656
   46    HE2  TYR   7           2HE      TYR   7  -1.548  -2.264  -6.476
   47    HH   TYR   7           HH       TYR   7  -2.223  -0.495  -8.047
   48    H    ALA   8           HN       ALA   8  -2.219  -3.622  -0.881
   49    HA   ALA   8           HA       ALA   8  -1.737  -3.181   1.970
   50    HB1  ALA   8           1HB      ALA   8  -3.305  -4.597   2.718
   51    HB2  ALA   8           2HB      ALA   8  -2.786  -5.847   1.586
   52    HB3  ALA   8           3HB      ALA   8  -3.968  -4.640   1.084
   53    H    TYR   9           HN       TYR   9   0.108  -4.122   2.658
   54    HA   TYR   9           HA       TYR   9   2.046  -4.971   0.941
   55    HB2  TYR   9           2HB      TYR   9   2.595  -4.367   3.217
   56    HB3  TYR   9           1HB      TYR   9   1.691  -5.751   3.827
   57    HD1  TYR   9           1HD      TYR   9   4.102  -5.494   0.935
   58    HD2  TYR   9           2HD      TYR   9   3.250  -7.216   4.782
   59    HE1  TYR   9           1HE      TYR   9   6.108  -6.913   0.741
   60    HE2  TYR   9           2HE      TYR   9   5.270  -8.646   4.581
   61    HH   TYR   9           HH       TYR   9   7.666  -8.111   2.228
   62    H    ASN  10           HN       ASN  10   2.670  -6.845  -0.001
   63    HA   ASN  10           HA       ASN  10   0.948  -9.201   0.464
   64    HB2  ASN  10           2HB      ASN  10   1.009  -7.826  -1.825
   65    HB3  ASN  10           1HB      ASN  10   2.365  -8.891  -2.108
   66   HD21  ASN  10          1HD2      ASN  10   1.942 -11.173  -2.353
   67   HD22  ASN  10          2HD2      ASN  10   0.370 -11.793  -2.464
   68    HA   PRO  11           HA       PRO  11   5.247 -10.439   1.678
   69    HB2  PRO  11           2HB      PRO  11   3.905 -12.462   3.311
   70    HB3  PRO  11           1HB      PRO  11   4.965 -11.144   3.821
   71    HG2  PRO  11           2HG      PRO  11   2.275 -11.252   4.295
   72    HG3  PRO  11           1HG      PRO  11   3.231  -9.769   4.261
   73    HD2  PRO  11           2HD      PRO  11   1.341 -10.828   2.233
   74    HD3  PRO  11           1HD      PRO  11   1.806  -9.157   2.581
   75    H    VAL  12           HN       VAL  12   2.824 -11.788  -0.139
   76    HA   VAL  12           HA       VAL  12   4.195 -14.385  -0.459
   77    HB   VAL  12           HB       VAL  12   1.509 -13.562  -1.579
   78   HG11  VAL  12          1HG1      VAL  12   1.210 -16.025  -1.722
   79   HG12  VAL  12          2HG1      VAL  12   2.852 -16.243  -1.116
   80   HG13  VAL  12          3HG1      VAL  12   2.583 -15.475  -2.680
   81   HG21  VAL  12          3HG2      VAL  12   0.583 -14.893   0.338
   82   HG22  VAL  12          1HG2      VAL  12   1.389 -13.409   0.852
   83   HG23  VAL  12          2HG2      VAL  12   2.207 -14.963   1.022
   84    H    LEU  13           HN       LEU  13   3.645 -11.353  -1.927
   85    HA   LEU  13           HA       LEU  13   4.659 -12.367  -4.497
   86    HB2  LEU  13           2HB      LEU  13   2.822 -11.254  -5.255
   87    HB3  LEU  13           1HB      LEU  13   2.675 -10.300  -3.796
   88    HG   LEU  13           HG       LEU  13   4.497  -8.828  -4.537
   89   HD11  LEU  13          1HD1      LEU  13   5.898  -9.453  -6.235
   90   HD12  LEU  13          2HD1      LEU  13   4.529  -9.659  -7.327
   91   HD13  LEU  13          3HD1      LEU  13   5.046 -10.989  -6.306
   92   HD21  LEU  13          3HD2      LEU  13   3.324  -7.825  -6.497
   93   HD22  LEU  13          1HD2      LEU  13   2.273  -8.157  -5.129
   94   HD23  LEU  13          2HD2      LEU  13   2.253  -9.227  -6.526
   95    H    GLY  14           HN       GLY  14   5.033  -9.850  -2.030
   96    HA2  GLY  14           2HA      GLY  14   7.379  -9.414  -1.368
   97    HA3  GLY  14           1HA      GLY  14   7.752  -9.324  -3.083
   98    H    ILE  15           HN       ILE  15   4.799  -7.889  -2.839
   99    HA   ILE  15           HA       ILE  15   5.717  -5.276  -1.913
  100    HB   ILE  15           HB       ILE  15   4.987  -4.166  -4.021
  101   HG12  ILE  15          2HG1      ILE  15   5.189  -6.778  -5.470
  102   HG13  ILE  15          1HG1      ILE  15   3.685  -6.446  -4.630
  103   HG21  ILE  15          1HG2      ILE  15   7.015  -4.611  -5.215
  104   HG22  ILE  15          2HG2      ILE  15   7.115  -6.248  -4.567
  105   HG23  ILE  15          3HG2      ILE  15   7.388  -4.863  -3.510
  106   HD11  ILE  15          3HD1      ILE  15   3.177  -4.611  -5.948
  107   HD12  ILE  15          1HD1      ILE  15   3.998  -5.649  -7.115
  108   HD13  ILE  15          2HD1      ILE  15   4.868  -4.311  -6.363
  109    H    CYS  16           HN       CYS  16   3.705  -3.660  -2.636
  110    HA   CYS  16           HA       CYS  16   1.442  -4.803  -1.220
  111    HB2  CYS  16           2HB      CYS  16   1.750  -1.994  -2.265
  112    HB3  CYS  16           1HB      CYS  16   0.677  -2.568  -0.990
  113    H    THR  17           HN       THR  17  -0.537  -5.109  -2.030
  114    HA   THR  17           HA       THR  17  -0.926  -4.608  -4.921
  115    HB   THR  17           HB       THR  17  -2.108  -6.746  -5.106
  116    HG1  THR  17           1HG      THR  17  -1.135  -7.378  -2.541
  117   HG21  THR  17          3HG2      THR  17   0.187  -6.843  -5.697
  118   HG22  THR  17          1HG2      THR  17  -0.082  -8.231  -4.643
  119   HG23  THR  17          2HG2      THR  17   0.700  -6.782  -4.010
  120    H    ILE  18           HN       ILE  18  -3.109  -4.295  -5.579
  121    HA   ILE  18           HA       ILE  18  -4.622  -2.697  -3.903
  122    HB   ILE  18           HB       ILE  18  -4.710  -2.963  -6.463
  123   HG12  ILE  18          2HG1      ILE  18  -7.460  -2.929  -5.246
  124   HG13  ILE  18          1HG1      ILE  18  -6.325  -1.657  -4.818
  125   HG21  ILE  18          1HG2      ILE  18  -5.233  -5.470  -6.144
  126   HG22  ILE  18          2HG2      ILE  18  -6.157  -4.594  -7.365
  127   HG23  ILE  18          3HG2      ILE  18  -6.880  -4.944  -5.794
  128   HD11  ILE  18          3HD1      ILE  18  -5.971  -1.237  -7.266
  129   HD12  ILE  18          1HD1      ILE  18  -7.596  -0.881  -6.698
  130   HD13  ILE  18          2HD1      ILE  18  -7.284  -2.368  -7.590
  131    H    THR  19           HN       THR  19  -6.118  -3.059  -2.391
  132    HA   THR  19           HA       THR  19  -6.606  -5.815  -1.591
  133    HB   THR  19           HB       THR  19  -6.189  -4.556   0.294
  134    HG1  THR  19           1HG      THR  19  -8.930  -4.004   0.167
  135   HG21  THR  19          3HG2      THR  19  -7.523  -2.365  -1.238
  136   HG22  THR  19          1HG2      THR  19  -5.961  -2.365  -0.419
  137   HG23  THR  19          2HG2      THR  19  -7.449  -2.247   0.520
  138    H    LEU  20           HN       LEU  20  -8.702  -6.666  -1.214
  139    HA   LEU  20           HA       LEU  20 -10.552  -6.206  -3.269
  140    HB2  LEU  20           2HB      LEU  20 -10.372  -8.341  -2.022
  141    HB3  LEU  20           1HB      LEU  20 -11.023  -7.544  -0.590
  142    HG   LEU  20           HG       LEU  20 -12.643  -7.118  -2.999
  143   HD11  LEU  20          1HD1      LEU  20 -13.591  -9.422  -2.928
  144   HD12  LEU  20          2HD1      LEU  20 -12.266  -9.894  -1.864
  145   HD13  LEU  20          3HD1      LEU  20 -11.930  -9.375  -3.515
  146   HD21  LEU  20          3HD2      LEU  20 -13.422  -8.367  -0.361
  147   HD22  LEU  20          1HD2      LEU  20 -14.429  -7.428  -1.462
  148   HD23  LEU  20          2HD2      LEU  20 -13.169  -6.629  -0.524
  149    H    SER  21           HN       SER  21 -10.271  -4.951  -0.018
  150    HA   SER  21           HA       SER  21 -12.849  -3.871   0.306
  151    HB2  SER  21           2HB      SER  21 -11.926  -2.561   2.060
  152    HB3  SER  21           1HB      SER  21 -10.963  -4.036   2.033
  153    HG   SER  21           HG       SER  21  -9.304  -2.957   1.189
  154    H    ARG  22           HN       ARG  22 -10.246  -2.930  -1.733
  155    HA   ARG  22           HA       ARG  22 -10.624  -0.202  -2.062
  156    HB2  ARG  22           2HB      ARG  22  -8.803  -1.364  -3.171
  157    HB3  ARG  22           1HB      ARG  22  -9.942  -2.307  -4.131
  158    HG2  ARG  22           2HG      ARG  22 -10.365   0.595  -4.330
  159    HG3  ARG  22           1HG      ARG  22  -8.797   0.069  -4.935
  160    HD2  ARG  22           2HD      ARG  22 -11.485  -1.061  -5.775
  161    HD3  ARG  22           1HD      ARG  22 -10.476   0.012  -6.735
  162    HE   ARG  22           HE       ARG  22  -8.863  -2.143  -6.127
  163   HH11  ARG  22          1HH2      ARG  22 -11.929  -1.613  -7.641
  164   HH12  ARG  22          2HH2      ARG  22 -11.791  -2.971  -8.709
  165   HH21  ARG  22          1HH1      ARG  22  -8.675  -3.924  -7.523
  166   HH22  ARG  22          2HH1      ARG  22  -9.950  -4.279  -8.642
  167    H    ILE  23           HN       ILE  23 -12.571  -2.901  -3.138
  168    HA   ILE  23           HA       ILE  23 -14.095  -1.695  -5.136
  169    HB   ILE  23           HB       ILE  23 -14.903  -3.744  -3.077
  170   HG12  ILE  23          2HG1      ILE  23 -14.183  -4.089  -6.002
  171   HG13  ILE  23          1HG1      ILE  23 -13.005  -4.253  -4.699
  172   HG21  ILE  23          1HG2      ILE  23 -16.345  -2.514  -5.395
  173   HG22  ILE  23          2HG2      ILE  23 -16.981  -3.062  -3.845
  174   HG23  ILE  23          3HG2      ILE  23 -16.571  -4.236  -5.094
  175   HD11  ILE  23          3HD1      ILE  23 -14.556  -5.972  -3.657
  176   HD12  ILE  23          1HD1      ILE  23 -13.817  -6.465  -5.181
  177   HD13  ILE  23          2HD1      ILE  23 -15.495  -5.919  -5.148
  178    H    GLU  24           HN       GLU  24 -15.758  -2.409  -2.179
  179    HA   GLU  24           HA       GLU  24 -16.476   0.415  -1.819
  180    HB2  GLU  24           2HB      GLU  24 -18.455  -1.847  -2.181
  181    HB3  GLU  24           1HB      GLU  24 -18.884  -0.244  -1.584
  182    HG2  GLU  24           2HG      GLU  24 -18.028   0.767  -3.661
  183    HG3  GLU  24           1HG      GLU  24 -17.592  -0.831  -4.262
  184    H    HIS  25           HN       HIS  25 -15.813  -2.682  -0.538
  185    HA   HIS  25           HA       HIS  25 -15.682  -1.706   2.098
  186    HB2  HIS  25           2HB      HIS  25 -17.407  -3.538   2.879
  187    HB3  HIS  25           1HB      HIS  25 -17.957  -1.932   2.401
  188    HD2  HIS  25           2HD      HIS  25 -16.960  -4.215  -0.578
  189    HE1  HIS  25           1HE      HIS  25 -21.174  -4.254  -0.342
  190    HE2  HIS  25           2HE      HIS  25 -19.176  -4.918  -1.761
  191    HA   PRO  26           HA       PRO  26 -12.950  -5.225   2.273
  192    HB2  PRO  26           2HB      PRO  26 -12.749  -5.580   4.976
  193    HB3  PRO  26           1HB      PRO  26 -11.978  -4.232   4.119
  194    HG2  PRO  26           2HG      PRO  26 -14.488  -4.275   5.712
  195    HG3  PRO  26           1HG      PRO  26 -13.233  -3.028   5.611
  196    HD2  PRO  26           2HD      PRO  26 -15.626  -2.867   4.265
  197    HD3  PRO  26           1HD      PRO  26 -14.130  -2.085   3.712
  198    H    GLY  27           HN       GLY  27 -15.772  -5.434   4.437
  199    HA2  GLY  27           2HA      GLY  27 -15.758  -8.241   4.759
  200    HA3  GLY  27           1HA      GLY  27 -17.146  -7.192   5.007
  201    H    ASN  28           HN       ASN  28 -17.356  -6.119   2.407
  202    HA   ASN  28           HA       ASN  28 -18.370  -6.562   0.393
  203    HB2  ASN  28           2HB      ASN  28 -16.092  -7.750   0.184
  204    HB3  ASN  28           1HB      ASN  28 -17.019  -9.232   0.410
  205   HD21  ASN  28          1HD2      ASN  28 -17.616  -6.190  -1.447
  206   HD22  ASN  28          2HD2      ASN  28 -17.995  -6.987  -2.899
  207    H    TYR  29           HN       TYR  29 -20.237  -6.809   2.055
  208    HA   TYR  29           HA       TYR  29 -21.365  -9.527   1.951
  209    HB2  TYR  29           2HB      TYR  29 -23.008  -8.248   3.656
  210    HB3  TYR  29           1HB      TYR  29 -21.515  -9.012   4.180
  211    HD1  TYR  29           1HD      TYR  29 -19.348  -7.515   3.975
  212    HD2  TYR  29           2HD      TYR  29 -23.354  -5.985   4.150
  213    HE1  TYR  29           1HE      TYR  29 -18.469  -5.319   4.699
  214    HE2  TYR  29           2HE      TYR  29 -22.481  -3.786   4.892
  215    HH   TYR  29           HH       TYR  29 -19.350  -3.335   6.012
  216    H    ASP  30           HN       ASP  30 -21.664  -8.688  -0.432
  217    HA   ASP  30           HA       ASP  30 -23.905  -6.915  -0.845
  218    HB2  ASP  30           2HB      ASP  30 -23.613  -7.416  -3.199
  219    HB3  ASP  30           1HB      ASP  30 -22.030  -7.139  -2.476
  220    H    TYR  31           HN       TYR  31 -23.737  -9.977   0.307
  221    HA   TYR  31           HA       TYR  31 -25.121 -11.839   0.263
  222    HB2  TYR  31           2HB      TYR  31 -26.397 -10.427   1.709
  223    HB3  TYR  31           1HB      TYR  31 -27.022  -9.493   0.350
  224    HD1  TYR  31           1HD      TYR  31 -26.961 -12.947   1.782
  225    HD2  TYR  31           2HD      TYR  31 -29.024 -10.126  -0.715
  226    HE1  TYR  31           1HE      TYR  31 -28.863 -14.526   1.570
  227    HE2  TYR  31           2HE      TYR  31 -30.926 -11.704  -0.927
  228    HH   TYR  31           HH       TYR  31 -31.047 -14.696   0.937
  Start of MODEL   13
    1    H1   PCA   1           HN       PCA   1   7.501  -2.364   5.734
    2    HA   PCA   1           HA       PCA   1   7.617  -2.430   3.093
    3    HB2  PCA   1           2HB      PCA   1   5.144  -3.965   2.902
    4    HB3  PCA   1           1HB      PCA   1   6.762  -4.368   2.247
    5    HG2  PCA   1           1HG      PCA   1   7.110  -5.853   3.934
    6    HG3  PCA   1           2HG      PCA   1   5.468  -5.501   4.564
    7    H    TRP   2           HN       TRP   2   7.106  -0.322   3.254
    8    HA   TRP   2           HA       TRP   2   4.590   0.574   4.219
    9    HB2  TRP   2           2HB      TRP   2   6.610   2.013   4.044
   10    HB3  TRP   2           1HB      TRP   2   6.463   1.960   2.287
   11    HD1  TRP   2           HD       TRP   2   4.806   3.393   5.401
   12    HE1  TRP   2           1HE      TRP   2   3.114   5.204   4.690
   13    HE3  TRP   2           3HE      TRP   2   4.896   2.744   0.337
   14    HZ2  TRP   2           2HZ      TRP   2   1.952   6.240   2.290
   15    HZ3  TRP   2           3HZ      TRP   2   3.489   4.155  -1.137
   16    HH2  TRP   2           HH       TRP   2   2.018   5.900  -0.168
   17    H    CYS   3           HN       CYS   3   2.656   0.739   3.248
   18    HA   CYS   3           HA       CYS   3   2.507   0.176   0.345
   19    HB2  CYS   3           2HB      CYS   3   0.572  -0.598   2.534
   20    HB3  CYS   3           1HB      CYS   3   0.279  -0.821   0.809
   21    H    GLN   4           HN       GLN   4   0.939   1.265  -0.855
   22    HA   GLN   4           HA       GLN   4   0.299   3.873   0.179
   23    HB2  GLN   4           2HB      GLN   4  -0.813   3.419  -2.418
   24    HB3  GLN   4           1HB      GLN   4   0.524   4.478  -1.969
   25    HG2  GLN   4           2HG      GLN   4   2.051   2.502  -2.046
   26    HG3  GLN   4           1HG      GLN   4   0.700   1.517  -2.608
   27   HE21  GLN   4          1HE2      GLN   4   1.095   1.157  -4.802
   28   HE22  GLN   4          2HE2      GLN   4   1.488   2.371  -5.920
   29    HA   PRO   5           HA       PRO   5  -3.981   3.356   1.120
   30    HB2  PRO   5           2HB      PRO   5  -4.816   5.316  -0.940
   31    HB3  PRO   5           1HB      PRO   5  -5.025   5.369   0.818
   32    HG2  PRO   5           2HG      PRO   5  -3.279   6.928  -0.489
   33    HG3  PRO   5           1HG      PRO   5  -3.011   6.364   1.167
   34    HD2  PRO   5           2HD      PRO   5  -1.723   5.458  -1.369
   35    HD3  PRO   5           1HD      PRO   5  -1.091   5.506   0.287
   36    H    GLY   6           HN       GLY   6  -5.612   2.019   0.506
   37    HA2  GLY   6           2HA      GLY   6  -7.086   0.872  -0.888
   38    HA3  GLY   6           1HA      GLY   6  -6.343   1.666  -2.268
   39    H    TYR   7           HN       TYR   7  -3.839   0.483  -0.505
   40    HA   TYR   7           HA       TYR   7  -3.838  -2.114  -1.927
   41    HB2  TYR   7           2HB      TYR   7  -1.662  -0.094  -1.583
   42    HB3  TYR   7           1HB      TYR   7  -1.260  -1.778  -1.824
   43    HD1  TYR   7           1HD      TYR   7  -3.483   0.889  -3.258
   44    HD2  TYR   7           2HD      TYR   7  -1.066  -2.580  -3.991
   45    HE1  TYR   7           1HE      TYR   7  -3.891   1.122  -5.694
   46    HE2  TYR   7           2HE      TYR   7  -1.483  -2.357  -6.430
   47    HH   TYR   7           HH       TYR   7  -2.246  -0.950  -8.037
   48    H    ALA   8           HN       ALA   8  -2.322  -3.693  -0.925
   49    HA   ALA   8           HA       ALA   8  -1.969  -3.341   1.961
   50    HB1  ALA   8           1HB      ALA   8  -3.129  -5.921   0.958
   51    HB2  ALA   8           2HB      ALA   8  -4.194  -4.557   1.303
   52    HB3  ALA   8           3HB      ALA   8  -3.181  -5.231   2.580
   53    H    TYR   9           HN       TYR   9  -0.128  -4.226   2.699
   54    HA   TYR   9           HA       TYR   9   1.932  -4.958   1.042
   55    HB2  TYR   9           2HB      TYR   9   2.457  -4.388   3.283
   56    HB3  TYR   9           1HB      TYR   9   1.419  -5.661   3.920
   57    HD1  TYR   9           2HD      TYR   9   3.917  -5.804   1.109
   58    HD2  TYR   9           1HD      TYR   9   2.860  -7.122   5.062
   59    HE1  TYR   9           2HE      TYR   9   5.809  -7.376   1.081
   60    HE2  TYR   9           1HE      TYR   9   4.765  -8.707   5.036
   61    HH   TYR   9           HH       TYR   9   7.254  -8.548   2.745
   62    H    ASN  10           HN       ASN  10   2.602  -6.770   0.044
   63    HA   ASN  10           HA       ASN  10   0.997  -9.201   0.465
   64    HB2  ASN  10           2HB      ASN  10   1.053  -7.795  -1.803
   65    HB3  ASN  10           1HB      ASN  10   2.420  -8.854  -2.084
   66   HD21  ASN  10          1HD2      ASN  10   2.005 -11.161  -2.265
   67   HD22  ASN  10          2HD2      ASN  10   0.434 -11.769  -2.430
   68    HA   PRO  11           HA       PRO  11   5.292 -10.428   1.589
   69    HB2  PRO  11           2HB      PRO  11   4.577 -12.356   3.391
   70    HB3  PRO  11           1HB      PRO  11   4.719 -10.640   3.788
   71    HG2  PRO  11           2HG      PRO  11   2.310 -12.269   3.351
   72    HG3  PRO  11           1HG      PRO  11   2.547 -10.869   4.394
   73    HD2  PRO  11           2HD      PRO  11   1.264 -10.845   1.927
   74    HD3  PRO  11           1HD      PRO  11   1.898  -9.414   2.755
   75    H    VAL  12           HN       VAL  12   2.890 -11.840  -0.166
   76    HA   VAL  12           HA       VAL  12   4.311 -14.404  -0.502
   77    HB   VAL  12           HB       VAL  12   1.590 -13.598  -1.559
   78   HG11  VAL  12          1HG1      VAL  12   3.073 -16.234  -1.364
   79   HG12  VAL  12          2HG1      VAL  12   2.595 -15.395  -2.840
   80   HG13  VAL  12          3HG1      VAL  12   1.367 -16.096  -1.787
   81   HG21  VAL  12          3HG2      VAL  12   2.328 -15.258   0.875
   82   HG22  VAL  12          1HG2      VAL  12   0.692 -14.962   0.284
   83   HG23  VAL  12          2HG2      VAL  12   1.653 -13.627   0.922
   84    H    LEU  13           HN       LEU  13   3.738 -11.363  -1.934
   85    HA   LEU  13           HA       LEU  13   4.750 -12.333  -4.522
   86    HB2  LEU  13           2HB      LEU  13   2.919 -11.207  -5.272
   87    HB3  LEU  13           1HB      LEU  13   2.756 -10.288  -3.789
   88    HG   LEU  13           HG       LEU  13   4.583  -8.791  -4.491
   89   HD11  LEU  13          1HD1      LEU  13   5.164 -10.911  -6.289
   90   HD12  LEU  13          2HD1      LEU  13   5.997  -9.367  -6.186
   91   HD13  LEU  13          3HD1      LEU  13   4.642  -9.566  -7.295
   92   HD21  LEU  13          3HD2      LEU  13   3.420  -7.743  -6.425
   93   HD22  LEU  13          1HD2      LEU  13   2.347  -8.136  -5.089
   94   HD23  LEU  13          2HD2      LEU  13   2.367  -9.157  -6.521
   95    H    GLY  14           HN       GLY  14   5.093  -9.802  -2.052
   96    HA2  GLY  14           2HA      GLY  14   7.448  -9.382  -1.372
   97    HA3  GLY  14           1HA      GLY  14   7.816  -9.257  -3.086
   98    H    ILE  15           HN       ILE  15   4.830  -7.859  -2.698
   99    HA   ILE  15           HA       ILE  15   5.734  -5.262  -1.750
  100    HB   ILE  15           HB       ILE  15   4.983  -4.115  -3.836
  101   HG12  ILE  15          2HG1      ILE  15   5.269  -6.694  -5.330
  102   HG13  ILE  15          1HG1      ILE  15   3.744  -6.401  -4.508
  103   HG21  ILE  15          1HG2      ILE  15   7.172  -6.117  -4.432
  104   HG22  ILE  15          2HG2      ILE  15   7.402  -4.774  -3.312
  105   HG23  ILE  15          3HG2      ILE  15   7.036  -4.455  -5.008
  106   HD11  ILE  15          3HD1      ILE  15   4.904  -4.206  -6.171
  107   HD12  ILE  15          1HD1      ILE  15   3.216  -4.577  -5.819
  108   HD13  ILE  15          2HD1      ILE  15   4.112  -5.556  -6.983
  109    H    CYS  16           HN       CYS  16   3.685  -3.683  -2.541
  110    HA   CYS  16           HA       CYS  16   1.426  -4.867  -1.137
  111    HB2  CYS  16           2HB      CYS  16   1.635  -2.047  -2.171
  112    HB3  CYS  16           1HB      CYS  16   0.629  -2.660  -0.858
  113    H    THR  17           HN       THR  17  -0.564  -5.175  -1.983
  114    HA   THR  17           HA       THR  17  -0.901  -4.682  -4.881
  115    HB   THR  17           HB       THR  17  -2.097  -6.837  -5.051
  116    HG1  THR  17           1HG      THR  17  -2.510  -6.818  -2.687
  117   HG21  THR  17          3HG2      THR  17   0.695  -6.404  -4.713
  118   HG22  THR  17          1HG2      THR  17  -0.106  -7.637  -5.686
  119   HG23  THR  17          2HG2      THR  17   0.298  -7.967  -4.002
  120    H    ILE  18           HN       ILE  18  -3.044  -4.331  -5.580
  121    HA   ILE  18           HA       ILE  18  -4.611  -2.747  -3.965
  122    HB   ILE  18           HB       ILE  18  -4.689  -3.057  -6.511
  123   HG12  ILE  18          2HG1      ILE  18  -7.426  -3.122  -5.292
  124   HG13  ILE  18          1HG1      ILE  18  -6.342  -1.783  -4.921
  125   HG21  ILE  18          1HG2      ILE  18  -6.098  -4.738  -7.390
  126   HG22  ILE  18          2HG2      ILE  18  -6.786  -5.105  -5.808
  127   HG23  ILE  18          3HG2      ILE  18  -5.122  -5.571  -6.180
  128   HD11  ILE  18          3HD1      ILE  18  -7.863  -1.410  -6.903
  129   HD12  ILE  18          1HD1      ILE  18  -6.944  -2.660  -7.741
  130   HD13  ILE  18          2HD1      ILE  18  -6.141  -1.182  -7.210
  131    H    THR  19           HN       THR  19  -6.308  -3.068  -2.596
  132    HA   THR  19           HA       THR  19  -6.721  -5.820  -1.689
  133    HB   THR  19           HB       THR  19  -6.319  -4.527   0.189
  134    HG1  THR  19           1HG      THR  19  -8.426  -4.065   1.105
  135   HG21  THR  19          3HG2      THR  19  -7.614  -2.373  -1.424
  136   HG22  THR  19          1HG2      THR  19  -6.100  -2.345  -0.520
  137   HG23  THR  19          2HG2      THR  19  -7.638  -2.220   0.332
  138    H    LEU  20           HN       LEU  20  -9.012  -6.326  -0.936
  139    HA   LEU  20           HA       LEU  20 -10.755  -6.129  -3.182
  140    HB2  LEU  20           2HB      LEU  20 -10.605  -7.643  -0.749
  141    HB3  LEU  20           1HB      LEU  20 -12.227  -6.984  -0.933
  142    HG   LEU  20           HG       LEU  20 -12.061  -9.195  -2.040
  143   HD11  LEU  20          1HD1      LEU  20 -13.031  -6.817  -3.163
  144   HD12  LEU  20          2HD1      LEU  20 -13.473  -8.456  -3.642
  145   HD13  LEU  20          3HD1      LEU  20 -12.167  -7.614  -4.476
  146   HD21  LEU  20          3HD2      LEU  20  -9.516  -8.182  -2.810
  147   HD22  LEU  20          1HD2      LEU  20 -10.435  -8.444  -4.291
  148   HD23  LEU  20          2HD2      LEU  20 -10.189  -9.772  -3.159
  149    H    SER  21           HN       SER  21  -9.961  -3.768  -1.317
  150    HA   SER  21           HA       SER  21 -12.684  -2.709  -0.877
  151    HB2  SER  21           2HB      SER  21 -10.034  -1.840   0.306
  152    HB3  SER  21           1HB      SER  21 -11.577  -1.043   0.601
  153    HG   SER  21           HG       SER  21 -10.650  -2.948   1.996
  154    H    ARG  22           HN       ARG  22 -10.667  -2.768  -3.310
  155    HA   ARG  22           HA       ARG  22 -11.311  -0.025  -4.157
  156    HB2  ARG  22           2HB      ARG  22  -8.926  -0.141  -3.361
  157    HB3  ARG  22           1HB      ARG  22  -8.620  -1.289  -4.663
  158    HG2  ARG  22           2HG      ARG  22  -9.329   0.363  -6.331
  159    HG3  ARG  22           1HG      ARG  22  -9.716   1.511  -5.052
  160    HD2  ARG  22           2HD      ARG  22  -7.338   1.440  -4.324
  161    HD3  ARG  22           1HD      ARG  22  -6.976   0.382  -5.679
  162    HE   ARG  22           HE       ARG  22  -7.482   3.241  -5.797
  163   HH11  ARG  22          1HH2      ARG  22  -7.354   0.213  -7.467
  164   HH12  ARG  22          2HH2      ARG  22  -7.116   0.925  -9.027
  165   HH21  ARG  22          1HH1      ARG  22  -7.168   4.182  -7.839
  166   HH22  ARG  22          2HH1      ARG  22  -7.010   3.173  -9.237
  167    H    ILE  23           HN       ILE  23 -10.563  -3.365  -4.975
  168    HA   ILE  23           HA       ILE  23 -10.572  -3.211  -7.761
  169    HB   ILE  23           HB       ILE  23 -11.512  -5.401  -5.922
  170   HG12  ILE  23          2HG1      ILE  23  -8.979  -5.158  -7.571
  171   HG13  ILE  23          1HG1      ILE  23  -9.086  -4.663  -5.881
  172   HG21  ILE  23          1HG2      ILE  23 -12.576  -5.863  -8.005
  173   HG22  ILE  23          2HG2      ILE  23 -11.107  -6.832  -8.022
  174   HG23  ILE  23          3HG2      ILE  23 -11.176  -5.323  -8.928
  175   HD11  ILE  23          3HD1      ILE  23 -10.173  -7.340  -6.343
  176   HD12  ILE  23          1HD1      ILE  23  -9.001  -6.798  -5.141
  177   HD13  ILE  23          2HD1      ILE  23  -8.468  -7.214  -6.771
  178    H    GLU  24           HN       GLU  24 -13.273  -3.639  -5.570
  179    HA   GLU  24           HA       GLU  24 -15.150  -3.256  -7.810
  180    HB2  GLU  24           2HB      GLU  24 -15.583  -4.338  -5.024
  181    HB3  GLU  24           1HB      GLU  24 -16.879  -4.056  -6.187
  182    HG2  GLU  24           2HG      GLU  24 -15.839  -5.612  -7.766
  183    HG3  GLU  24           1HG      GLU  24 -14.492  -5.860  -6.658
  184    H    HIS  25           HN       HIS  25 -13.734  -1.010  -6.971
  185    HA   HIS  25           HA       HIS  25 -15.894   0.766  -6.294
  186    HB2  HIS  25           2HB      HIS  25 -13.861   1.225  -4.261
  187    HB3  HIS  25           1HB      HIS  25 -15.597   1.019  -4.072
  188    HD2  HIS  25           2HD      HIS  25 -16.212  -1.333  -2.780
  189    HE1  HIS  25           1HE      HIS  25 -12.674  -3.447  -3.635
  190    HE2  HIS  25           2HE      HIS  25 -14.890  -3.543  -2.395
  191    HA   PRO  26           HA       PRO  26 -12.358   2.384  -8.922
  192    HB2  PRO  26           2HB      PRO  26 -14.715   3.753 -10.132
  193    HB3  PRO  26           1HB      PRO  26 -13.361   2.923 -10.921
  194    HG2  PRO  26           2HG      PRO  26 -15.777   1.822 -10.803
  195    HG3  PRO  26           1HG      PRO  26 -14.305   0.845 -10.671
  196    HD2  PRO  26           2HD      PRO  26 -16.220   1.670  -8.521
  197    HD3  PRO  26           1HD      PRO  26 -15.279   0.169  -8.686
  198    H    GLY  27           HN       GLY  27 -15.169   4.007  -7.494
  199    HA2  GLY  27           2HA      GLY  27 -14.190   6.648  -7.520
  200    HA3  GLY  27           1HA      GLY  27 -15.400   6.027  -6.407
  201    H    ASN  28           HN       ASN  28 -13.780   4.011  -5.191
  202    HA   ASN  28           HA       ASN  28 -12.347   3.744  -3.411
  203    HB2  ASN  28           2HB      ASN  28 -10.731   4.406  -5.237
  204    HB3  ASN  28           1HB      ASN  28 -10.799   6.039  -4.584
  205   HD21  ASN  28          1HD2      ASN  28  -9.227   3.022  -4.254
  206   HD22  ASN  28          2HD2      ASN  28  -8.483   3.309  -2.757
  207    H    TYR  29           HN       TYR  29 -14.449   4.921  -2.519
  208    HA   TYR  29           HA       TYR  29 -13.724   7.462  -1.238
  209    HB2  TYR  29           2HB      TYR  29 -16.298   7.089  -0.511
  210    HB3  TYR  29           1HB      TYR  29 -15.841   7.843  -2.030
  211    HD1  TYR  29           2HD      TYR  29 -15.362   6.162  -4.016
  212    HD2  TYR  29           1HD      TYR  29 -17.724   5.238  -0.553
  213    HE1  TYR  29           2HE      TYR  29 -16.449   4.321  -5.259
  214    HE2  TYR  29           1HE      TYR  29 -18.831   3.401  -1.801
  215    HH   TYR  29           HH       TYR  29 -18.150   1.900  -3.848
  216    H    ASP  30           HN       ASP  30 -12.314   5.310  -0.248
  217    HA   ASP  30           HA       ASP  30 -13.483   3.930   1.902
  218    HB2  ASP  30           2HB      ASP  30 -11.275   3.377   0.917
  219    HB3  ASP  30           1HB      ASP  30 -10.611   4.847   1.629
  220    H    TYR  31           HN       TYR  31 -11.819   7.063   1.772
  221    HA   TYR  31           HA       TYR  31 -11.654   8.769   3.307
  222    HB2  TYR  31           2HB      TYR  31 -13.990   9.062   2.867
  223    HB3  TYR  31           1HB      TYR  31 -14.418   7.691   3.889
  224    HD1  TYR  31           2HD      TYR  31 -12.866  11.085   3.953
  225    HD2  TYR  31           1HD      TYR  31 -14.759   7.964   6.218
  226    HE1  TYR  31           2HE      TYR  31 -12.991  12.588   5.922
  227    HE2  TYR  31           1HE      TYR  31 -14.884   9.467   8.185
  228    HH   TYR  31           HH       TYR  31 -14.927  12.243   8.377
  Start of MODEL   14
    1    H1   PCA   1           HN       PCA   1   7.658  -2.217   5.557
    2    HA   PCA   1           HA       PCA   1   7.396  -2.580   2.969
    3    HB2  PCA   1           2HB      PCA   1   4.931  -4.086   3.189
    4    HB3  PCA   1           1HB      PCA   1   6.500  -4.626   2.515
    5    HG2  PCA   1           1HG      PCA   1   6.855  -5.898   4.366
    6    HG3  PCA   1           2HG      PCA   1   5.316  -5.315   5.077
    7    H    TRP   2           HN       TRP   2   6.972  -0.390   3.263
    8    HA   TRP   2           HA       TRP   2   4.448   0.499   4.235
    9    HB2  TRP   2           2HB      TRP   2   6.461   1.945   4.120
   10    HB3  TRP   2           1HB      TRP   2   6.361   1.908   2.359
   11    HD1  TRP   2           HD       TRP   2   4.617   3.312   5.441
   12    HE1  TRP   2           1HE      TRP   2   2.948   5.131   4.698
   13    HE3  TRP   2           3HE      TRP   2   4.857   2.712   0.378
   14    HZ2  TRP   2           2HZ      TRP   2   1.859   6.193   2.275
   15    HZ3  TRP   2           3HZ      TRP   2   3.495   4.141  -1.126
   16    HH2  TRP   2           HH       TRP   2   1.998   5.879  -0.182
   17    H    CYS   3           HN       CYS   3   2.526   0.657   3.247
   18    HA   CYS   3           HA       CYS   3   2.416   0.152   0.332
   19    HB2  CYS   3           2HB      CYS   3   0.436  -0.663   2.470
   20    HB3  CYS   3           1HB      CYS   3   0.209  -0.890   0.738
   21    H    GLN   4           HN       GLN   4   0.865   1.264  -0.877
   22    HA   GLN   4           HA       GLN   4   0.236   3.870   0.188
   23    HB2  GLN   4           2HB      GLN   4  -0.848   3.437  -2.433
   24    HB3  GLN   4           1HB      GLN   4   0.465   4.509  -1.950
   25    HG2  GLN   4           2HG      GLN   4   2.019   2.542  -2.013
   26    HG3  GLN   4           1HG      GLN   4   0.689   1.561  -2.628
   27   HE21  GLN   4          1HE2      GLN   4   1.013   1.278  -4.835
   28   HE22  GLN   4          2HE2      GLN   4   1.482   2.505  -5.911
   29    HA   PRO   5           HA       PRO   5  -4.081   3.401   1.039
   30    HB2  PRO   5           2HB      PRO   5  -4.862   5.286  -1.121
   31    HB3  PRO   5           1HB      PRO   5  -5.150   5.388   0.624
   32    HG2  PRO   5           2HG      PRO   5  -3.371   6.925  -0.639
   33    HG3  PRO   5           1HG      PRO   5  -3.148   6.392   1.033
   34    HD2  PRO   5           2HD      PRO   5  -1.766   5.461  -1.442
   35    HD3  PRO   5           1HD      PRO   5  -1.191   5.540   0.235
   36    H    GLY   6           HN       GLY   6  -5.654   1.993   0.444
   37    HA2  GLY   6           2HA      GLY   6  -7.086   0.764  -0.923
   38    HA3  GLY   6           1HA      GLY   6  -6.371   1.551  -2.324
   39    H    TYR   7           HN       TYR   7  -3.854   0.473  -0.495
   40    HA   TYR   7           HA       TYR   7  -3.761  -2.147  -1.859
   41    HB2  TYR   7           2HB      TYR   7  -1.633  -0.055  -1.564
   42    HB3  TYR   7           1HB      TYR   7  -1.211  -1.733  -1.824
   43    HD1  TYR   7           2HD      TYR   7  -3.517   0.887  -3.225
   44    HD2  TYR   7           1HD      TYR   7  -1.008  -2.511  -3.995
   45    HE1  TYR   7           2HE      TYR   7  -3.970   1.103  -5.655
   46    HE2  TYR   7           1HE      TYR   7  -1.467  -2.303  -6.423
   47    HH   TYR   7           HH       TYR   7  -3.152   0.462  -7.739
   48    H    ALA   8           HN       ALA   8  -2.210  -3.653  -0.833
   49    HA   ALA   8           HA       ALA   8  -1.735  -3.207   2.015
   50    HB1  ALA   8           1HB      ALA   8  -3.167  -4.763   2.803
   51    HB2  ALA   8           2HB      ALA   8  -2.839  -5.872   1.471
   52    HB3  ALA   8           3HB      ALA   8  -3.998  -4.562   1.264
   53    H    TYR   9           HN       TYR   9   0.079  -4.198   2.728
   54    HA   TYR   9           HA       TYR   9   2.023  -5.003   0.984
   55    HB2  TYR   9           2HB      TYR   9   2.568  -4.419   3.276
   56    HB3  TYR   9           1HB      TYR   9   1.677  -5.822   3.863
   57    HD1  TYR   9           1HD      TYR   9   4.077  -5.498   0.972
   58    HD2  TYR   9           2HD      TYR   9   3.234  -7.271   4.796
   59    HE1  TYR   9           1HE      TYR   9   6.105  -6.896   0.770
   60    HE2  TYR   9           2HE      TYR   9   5.269  -8.680   4.588
   61    HH   TYR   9           HH       TYR   9   7.716  -8.072   2.556
   62    H    ASN  10           HN       ASN  10   2.647  -6.864   0.033
   63    HA   ASN  10           HA       ASN  10   0.925  -9.232   0.454
   64    HB2  ASN  10           2HB      ASN  10   0.999  -7.816  -1.806
   65    HB3  ASN  10           1HB      ASN  10   2.369  -8.868  -2.104
   66   HD21  ASN  10          1HD2      ASN  10   1.962 -11.148  -2.386
   67   HD22  ASN  10          2HD2      ASN  10   0.396 -11.781  -2.521
   68    HA   PRO  11           HA       PRO  11   5.227 -10.465   1.672
   69    HB2  PRO  11           2HB      PRO  11   3.885 -12.498   3.284
   70    HB3  PRO  11           1HB      PRO  11   4.952 -11.191   3.811
   71    HG2  PRO  11           2HG      PRO  11   2.269 -11.286   4.285
   72    HG3  PRO  11           1HG      PRO  11   3.226  -9.803   4.244
   73    HD2  PRO  11           2HD      PRO  11   1.329 -10.875   2.221
   74    HD3  PRO  11           1HD      PRO  11   1.776  -9.197   2.576
   75    H    VAL  12           HN       VAL  12   2.818 -11.807  -0.165
   76    HA   VAL  12           HA       VAL  12   4.191 -14.397  -0.504
   77    HB   VAL  12           HB       VAL  12   1.515 -13.549  -1.629
   78   HG11  VAL  12          1HG1      VAL  12   2.838 -16.248  -1.210
   79   HG12  VAL  12          2HG1      VAL  12   2.592 -15.447  -2.761
   80   HG13  VAL  12          3HG1      VAL  12   1.205 -16.004  -1.829
   81   HG21  VAL  12          3HG2      VAL  12   0.586 -14.926   0.259
   82   HG22  VAL  12          1HG2      VAL  12   1.376 -13.444   0.796
   83   HG23  VAL  12          2HG2      VAL  12   2.207 -14.992   0.949
   84    H    LEU  13           HN       LEU  13   3.672 -11.351  -1.951
   85    HA   LEU  13           HA       LEU  13   4.719 -12.330  -4.526
   86    HB2  LEU  13           2HB      LEU  13   2.908 -11.228  -5.288
   87    HB3  LEU  13           1HB      LEU  13   2.722 -10.303  -3.816
   88    HG   LEU  13           HG       LEU  13   4.538  -8.790  -4.514
   89   HD11  LEU  13          1HD1      LEU  13   4.622  -9.563  -7.302
   90   HD12  LEU  13          2HD1      LEU  13   5.141 -10.918  -6.307
   91   HD13  LEU  13          3HD1      LEU  13   5.976  -9.372  -6.188
   92   HD21  LEU  13          3HD2      LEU  13   2.326  -9.204  -6.547
   93   HD22  LEU  13          1HD2      LEU  13   3.368  -7.782  -6.474
   94   HD23  LEU  13          2HD2      LEU  13   2.296  -8.162  -5.127
   95    H    GLY  14           HN       GLY  14   5.061  -9.834  -2.037
   96    HA2  GLY  14           2HA      GLY  14   7.417  -9.396  -1.339
   97    HA3  GLY  14           1HA      GLY  14   7.790  -9.282  -3.051
   98    H    ILE  15           HN       ILE  15   4.831  -7.870  -2.826
   99    HA   ILE  15           HA       ILE  15   5.746  -5.270  -1.849
  100    HB   ILE  15           HB       ILE  15   5.002  -4.128  -3.933
  101   HG12  ILE  15          2HG1      ILE  15   5.262  -6.703  -5.428
  102   HG13  ILE  15          1HG1      ILE  15   3.741  -6.409  -4.597
  103   HG21  ILE  15          1HG2      ILE  15   7.166  -6.162  -4.509
  104   HG22  ILE  15          2HG2      ILE  15   7.411  -4.800  -3.416
  105   HG23  ILE  15          3HG2      ILE  15   7.046  -4.511  -5.116
  106   HD11  ILE  15          3HD1      ILE  15   3.221  -4.566  -5.893
  107   HD12  ILE  15          1HD1      ILE  15   4.084  -5.560  -7.066
  108   HD13  ILE  15          2HD1      ILE  15   4.910  -4.219  -6.269
  109    H    CYS  16           HN       CYS  16   3.711  -3.664  -2.606
  110    HA   CYS  16           HA       CYS  16   1.455  -4.838  -1.182
  111    HB2  CYS  16           2HB      CYS  16   1.749  -2.011  -2.194
  112    HB3  CYS  16           1HB      CYS  16   0.666  -2.608  -0.939
  113    H    THR  17           HN       THR  17  -0.519  -5.109  -2.002
  114    HA   THR  17           HA       THR  17  -0.894  -4.614  -4.897
  115    HB   THR  17           HB       THR  17  -2.096  -6.748  -5.068
  116    HG1  THR  17           1HG      THR  17  -1.093  -7.419  -2.531
  117   HG21  THR  17          3HG2      THR  17   0.234  -6.780  -5.650
  118   HG22  THR  17          1HG2      THR  17  -0.090  -8.239  -4.713
  119   HG23  THR  17          2HG2      THR  17   0.712  -6.862  -3.955
  120    H    ILE  18           HN       ILE  18  -3.091  -4.306  -5.568
  121    HA   ILE  18           HA       ILE  18  -4.589  -2.686  -3.898
  122    HB   ILE  18           HB       ILE  18  -4.684  -2.926  -6.446
  123   HG12  ILE  18          2HG1      ILE  18  -7.438  -2.954  -5.243
  124   HG13  ILE  18          1HG1      ILE  18  -6.328  -1.666  -4.797
  125   HG21  ILE  18          1HG2      ILE  18  -5.178  -5.448  -6.159
  126   HG22  ILE  18          2HG2      ILE  18  -6.106  -4.572  -7.375
  127   HG23  ILE  18          3HG2      ILE  18  -6.833  -4.948  -5.812
  128   HD11  ILE  18          3HD1      ILE  18  -7.208  -2.384  -7.597
  129   HD12  ILE  18          1HD1      ILE  18  -5.982  -1.179  -7.207
  130   HD13  ILE  18          2HD1      ILE  18  -7.646  -0.939  -6.687
  131    H    THR  19           HN       THR  19  -6.060  -3.041  -2.358
  132    HA   THR  19           HA       THR  19  -6.616  -5.796  -1.603
  133    HB   THR  19           HB       THR  19  -6.108  -4.538   0.281
  134    HG1  THR  19           1HG      THR  19  -8.678  -3.865   0.679
  135   HG21  THR  19          3HG2      THR  19  -7.475  -2.267   0.557
  136   HG22  THR  19          1HG2      THR  19  -7.499  -2.360  -1.205
  137   HG23  THR  19          2HG2      THR  19  -5.960  -2.329  -0.344
  138    H    LEU  20           HN       LEU  20  -8.758  -6.583  -1.218
  139    HA   LEU  20           HA       LEU  20 -10.589  -6.028  -3.289
  140    HB2  LEU  20           2HB      LEU  20 -10.502  -7.754  -0.906
  141    HB3  LEU  20           1HB      LEU  20 -12.125  -7.255  -1.372
  142    HG   LEU  20           HG       LEU  20 -11.372  -9.386  -2.471
  143   HD11  LEU  20          1HD1      LEU  20 -12.678  -7.164  -3.615
  144   HD12  LEU  20          2HD1      LEU  20 -12.754  -8.836  -4.168
  145   HD13  LEU  20          3HD1      LEU  20 -11.555  -7.736  -4.847
  146   HD21  LEU  20          3HD2      LEU  20  -8.978  -8.099  -2.747
  147   HD22  LEU  20          1HD2      LEU  20  -9.656  -7.894  -4.363
  148   HD23  LEU  20          2HD2      LEU  20  -9.450  -9.512  -3.692
  149    H    SER  21           HN       SER  21 -10.009  -4.470  -0.313
  150    HA   SER  21           HA       SER  21 -12.567  -3.462   0.301
  151    HB2  SER  21           2HB      SER  21  -9.817  -2.328   0.847
  152    HB3  SER  21           1HB      SER  21 -11.308  -1.673   1.518
  153    HG   SER  21           HG       SER  21 -10.041  -4.138   1.990
  154    H    ARG  22           HN       ARG  22 -10.236  -2.609  -2.110
  155    HA   ARG  22           HA       ARG  22 -11.007   0.040  -2.648
  156    HB2  ARG  22           2HB      ARG  22  -8.970  -0.949  -3.583
  157    HB3  ARG  22           1HB      ARG  22  -9.939  -2.066  -4.544
  158    HG2  ARG  22           2HG      ARG  22 -10.716   0.752  -4.873
  159    HG3  ARG  22           1HG      ARG  22  -9.070   0.408  -5.402
  160    HD2  ARG  22           2HD      ARG  22  -9.927  -1.461  -6.793
  161    HD3  ARG  22           1HD      ARG  22 -11.569  -1.069  -6.292
  162    HE   ARG  22           HE       ARG  22 -10.408   1.254  -7.368
  163   HH11  ARG  22          1HH2      ARG  22 -11.389  -1.932  -8.295
  164   HH12  ARG  22          2HH2      ARG  22 -11.758  -1.493  -9.929
  165   HH21  ARG  22          1HH1      ARG  22 -10.891   1.838  -9.510
  166   HH22  ARG  22          2HH1      ARG  22 -11.477   0.641 -10.616
  167    H    ILE  23           HN       ILE  23 -12.284  -3.059  -3.783
  168    HA   ILE  23           HA       ILE  23 -13.965  -2.182  -5.803
  169    HB   ILE  23           HB       ILE  23 -14.629  -4.353  -3.818
  170   HG12  ILE  23          2HG1      ILE  23 -12.360  -4.688  -4.610
  171   HG13  ILE  23          1HG1      ILE  23 -13.422  -5.844  -5.408
  172   HG21  ILE  23          1HG2      ILE  23 -15.898  -3.389  -6.219
  173   HG22  ILE  23          2HG2      ILE  23 -16.409  -4.694  -5.148
  174   HG23  ILE  23          3HG2      ILE  23 -15.307  -5.027  -6.483
  175   HD11  ILE  23          3HD1      ILE  23 -12.086  -3.404  -6.547
  176   HD12  ILE  23          1HD1      ILE  23 -13.576  -3.996  -7.280
  177   HD13  ILE  23          2HD1      ILE  23 -12.158  -5.039  -7.201
  178    H    GLU  24           HN       GLU  24 -15.578  -3.251  -2.905
  179    HA   GLU  24           HA       GLU  24 -17.042  -0.691  -2.768
  180    HB2  GLU  24           2HB      GLU  24 -18.239  -3.466  -2.552
  181    HB3  GLU  24           1HB      GLU  24 -19.107  -1.949  -2.320
  182    HG2  GLU  24           2HG      GLU  24 -17.638  -2.662  -4.864
  183    HG3  GLU  24           1HG      GLU  24 -19.357  -2.950  -4.619
  184    H    HIS  25           HN       HIS  25 -18.436  -2.868  -0.708
  185    HA   HIS  25           HA       HIS  25 -18.327  -3.292   1.522
  186    HB2  HIS  25           2HB      HIS  25 -15.487  -2.324   1.589
  187    HB3  HIS  25           1HB      HIS  25 -16.242  -3.601   2.528
  188    HD2  HIS  25           2HD      HIS  25 -14.528  -3.143  -0.947
  189    HE1  HIS  25           1HE      HIS  25 -15.727  -7.177  -0.626
  190    HE2  HIS  25           2HE      HIS  25 -14.391  -5.522  -2.013
  191    HA   PRO  26           HA       PRO  26 -19.483   0.464   3.605
  192    HB2  PRO  26           2HB      PRO  26 -17.662  -0.428   5.809
  193    HB3  PRO  26           1HB      PRO  26 -19.339   0.148   5.891
  194    HG2  PRO  26           2HG      PRO  26 -18.728  -2.433   6.072
  195    HG3  PRO  26           1HG      PRO  26 -20.209  -1.872   5.281
  196    HD2  PRO  26           2HD      PRO  26 -17.789  -3.064   4.090
  197    HD3  PRO  26           1HD      PRO  26 -19.443  -2.974   3.453
  198    H    GLY  27           HN       GLY  27 -16.071  -0.427   3.737
  199    HA2  GLY  27           2HA      GLY  27 -14.954   2.033   4.453
  200    HA3  GLY  27           1HA      GLY  27 -14.146   0.814   3.473
  201    H    ASN  28           HN       ASN  28 -16.097   0.892   1.307
  202    HA   ASN  28           HA       ASN  28 -15.082   3.263  -0.059
  203    HB2  ASN  28           2HB      ASN  28 -16.679   0.870  -0.977
  204    HB3  ASN  28           1HB      ASN  28 -16.270   2.217  -2.037
  205   HD21  ASN  28          1HD2      ASN  28 -15.277  -0.426  -2.534
  206   HD22  ASN  28          2HD2      ASN  28 -13.596  -0.414  -2.296
  207    H    TYR  29           HN       TYR  29 -18.130   1.980   1.135
  208    HA   TYR  29           HA       TYR  29 -19.772   3.963  -0.127
  209    HB2  TYR  29           2HB      TYR  29 -20.315   2.108   2.195
  210    HB3  TYR  29           1HB      TYR  29 -21.535   3.114   1.418
  211    HD1  TYR  29           1HD      TYR  29 -21.544   2.927  -1.258
  212    HD2  TYR  29           2HD      TYR  29 -20.084  -0.084   1.431
  213    HE1  TYR  29           1HE      TYR  29 -21.858   1.204  -3.014
  214    HE2  TYR  29           2HE      TYR  29 -20.383  -1.806  -0.321
  215    HH   TYR  29           HH       TYR  29 -21.717  -0.942  -3.526
  216    H    ASP  30           HN       ASP  30 -17.617   4.083   2.447
  217    HA   ASP  30           HA       ASP  30 -19.053   5.962   4.095
  218    HB2  ASP  30           2HB      ASP  30 -17.006   6.123   5.366
  219    HB3  ASP  30           1HB      ASP  30 -17.267   4.428   4.959
  220    H    TYR  31           HN       TYR  31 -17.784   6.210   1.072
  221    HA   TYR  31           HA       TYR  31 -16.169   8.361   0.814
  222    HB2  TYR  31           2HB      TYR  31 -16.928   8.529  -1.335
  223    HB3  TYR  31           1HB      TYR  31 -17.713   7.003  -0.925
  224    HD1  TYR  31           2HD      TYR  31 -20.107   7.012  -0.131
  225    HD2  TYR  31           1HD      TYR  31 -18.197  10.508  -1.738
  226    HE1  TYR  31           2HE      TYR  31 -22.326   8.058  -0.493
  227    HE2  TYR  31           1HE      TYR  31 -20.417  11.554  -2.100
  228    HH   TYR  31           HH       TYR  31 -23.415   9.881  -1.133
  Start of MODEL   15
    1    H1   PCA   1           HN       PCA   1   7.352  -2.393   5.843
    2    HA   PCA   1           HA       PCA   1   7.325  -2.603   3.227
    3    HB2  PCA   1           2HB      PCA   1   4.845  -4.080   3.114
    4    HB3  PCA   1           1HB      PCA   1   6.470  -4.619   2.586
    5    HG2  PCA   1           1HG      PCA   1   6.586  -5.995   4.394
    6    HG3  PCA   1           2HG      PCA   1   5.004  -5.391   4.980
    7    H    TRP   2           HN       TRP   2   6.871  -0.457   3.401
    8    HA   TRP   2           HA       TRP   2   4.327   0.465   4.295
    9    HB2  TRP   2           2HB      TRP   2   6.344   1.894   4.257
   10    HB3  TRP   2           1HB      TRP   2   6.336   1.836   2.494
   11    HD1  TRP   2           HD       TRP   2   4.461   3.315   5.461
   12    HE1  TRP   2           1HE      TRP   2   2.849   5.135   4.606
   13    HE3  TRP   2           3HE      TRP   2   4.929   2.612   0.427
   14    HZ2  TRP   2           2HZ      TRP   2   1.886   6.159   2.114
   15    HZ3  TRP   2           3HZ      TRP   2   3.656   4.024  -1.165
   16    HH2  TRP   2           HH       TRP   2   2.136   5.794  -0.327
   17    H    CYS   3           HN       CYS   3   2.444   0.635   3.249
   18    HA   CYS   3           HA       CYS   3   2.419   0.145   0.329
   19    HB2  CYS   3           2HB      CYS   3   0.376  -0.693   2.400
   20    HB3  CYS   3           1HB      CYS   3   0.212  -0.920   0.659
   21    H    GLN   4           HN       GLN   4   0.811   1.249  -0.886
   22    HA   GLN   4           HA       GLN   4   0.194   3.857   0.204
   23    HB2  GLN   4           2HB      GLN   4  -0.885   3.439  -2.430
   24    HB3  GLN   4           1HB      GLN   4   0.417   4.519  -1.931
   25    HG2  GLN   4           2HG      GLN   4   1.989   2.571  -1.997
   26    HG3  GLN   4           1HG      GLN   4   0.674   1.582  -2.635
   27   HE21  GLN   4          1HE2      GLN   4   1.104   1.304  -4.831
   28   HE22  GLN   4          2HE2      GLN   4   1.528   2.557  -5.896
   29    HA   PRO   5           HA       PRO   5  -4.117   3.367   0.994
   30    HB2  PRO   5           2HB      PRO   5  -4.919   5.228  -1.169
   31    HB3  PRO   5           1HB      PRO   5  -5.207   5.336   0.577
   32    HG2  PRO   5           2HG      PRO   5  -3.449   6.903  -0.682
   33    HG3  PRO   5           1HG      PRO   5  -3.212   6.356   0.986
   34    HD2  PRO   5           2HD      PRO   5  -1.852   5.421  -1.514
   35    HD3  PRO   5           1HD      PRO   5  -1.235   5.535   0.147
   36    H    GLY   6           HN       GLY   6  -5.699   1.966   0.386
   37    HA2  GLY   6           2HA      GLY   6  -7.105   0.726  -0.988
   38    HA3  GLY   6           1HA      GLY   6  -6.381   1.512  -2.387
   39    H    TYR   7           HN       TYR   7  -3.854   0.470  -0.570
   40    HA   TYR   7           HA       TYR   7  -3.751  -2.155  -1.923
   41    HB2  TYR   7           2HB      TYR   7  -1.613  -0.071  -1.609
   42    HB3  TYR   7           1HB      TYR   7  -1.201  -1.754  -1.871
   43    HD1  TYR   7           1HD      TYR   7  -3.505   0.867  -3.274
   44    HD2  TYR   7           2HD      TYR   7  -0.980  -2.519  -4.038
   45    HE1  TYR   7           1HE      TYR   7  -3.939   1.094  -5.705
   46    HE2  TYR   7           2HE      TYR   7  -1.415  -2.296  -6.469
   47    HH   TYR   7           HH       TYR   7  -2.292   0.143  -7.960
   48    H    ALA   8           HN       ALA   8  -2.221  -3.669  -0.877
   49    HA   ALA   8           HA       ALA   8  -1.773  -3.220   1.976
   50    HB1  ALA   8           1HB      ALA   8  -2.685  -5.815   1.983
   51    HB2  ALA   8           2HB      ALA   8  -3.792  -5.035   0.851
   52    HB3  ALA   8           3HB      ALA   8  -3.624  -4.411   2.493
   53    H    TYR   9           HN       TYR   9   0.033  -4.252   2.715
   54    HA   TYR   9           HA       TYR   9   2.004  -5.032   0.962
   55    HB2  TYR   9           2HB      TYR   9   2.538  -4.439   3.254
   56    HB3  TYR   9           1HB      TYR   9   1.651  -5.843   3.843
   57    HD1  TYR   9           1HD      TYR   9   4.081  -5.493   0.983
   58    HD2  TYR   9           2HD      TYR   9   3.199  -7.314   4.774
   59    HE1  TYR   9           1HE      TYR   9   6.118  -6.879   0.789
   60    HE2  TYR   9           2HE      TYR   9   5.242  -8.704   4.578
   61    HH   TYR   9           HH       TYR   9   7.632  -8.121   2.143
   62    H    ASN  10           HN       ASN  10   2.657  -6.878   0.032
   63    HA   ASN  10           HA       ASN  10   0.944  -9.256   0.414
   64    HB2  ASN  10           2HB      ASN  10   1.036  -7.818  -1.831
   65    HB3  ASN  10           1HB      ASN  10   2.418  -8.859  -2.124
   66   HD21  ASN  10          1HD2      ASN  10   2.025 -11.159  -2.393
   67   HD22  ASN  10          2HD2      ASN  10   0.460 -11.784  -2.578
   68    HA   PRO  11           HA       PRO  11   5.232 -10.470   1.671
   69    HB2  PRO  11           2HB      PRO  11   3.899 -12.511   3.265
   70    HB3  PRO  11           1HB      PRO  11   4.947 -11.190   3.799
   71    HG2  PRO  11           2HG      PRO  11   2.254 -11.324   4.252
   72    HG3  PRO  11           1HG      PRO  11   3.201  -9.831   4.242
   73    HD2  PRO  11           2HD      PRO  11   1.329 -10.883   2.186
   74    HD3  PRO  11           1HD      PRO  11   1.782  -9.208   2.552
   75    H    VAL  12           HN       VAL  12   2.850 -11.804  -0.195
   76    HA   VAL  12           HA       VAL  12   4.220 -14.399  -0.510
   77    HB   VAL  12           HB       VAL  12   1.562 -13.567  -1.689
   78   HG11  VAL  12          1HG1      VAL  12   2.627 -15.474  -2.783
   79   HG12  VAL  12          2HG1      VAL  12   1.270 -16.042  -1.811
   80   HG13  VAL  12          3HG1      VAL  12   2.921 -16.238  -1.221
   81   HG21  VAL  12          3HG2      VAL  12   0.545 -14.783   0.197
   82   HG22  VAL  12          1HG2      VAL  12   1.511 -13.432   0.787
   83   HG23  VAL  12          2HG2      VAL  12   2.144 -15.076   0.882
   84    H    LEU  13           HN       LEU  13   3.741 -11.351  -1.960
   85    HA   LEU  13           HA       LEU  13   4.821 -12.327  -4.527
   86    HB2  LEU  13           2HB      LEU  13   2.993 -11.235  -5.306
   87    HB3  LEU  13           1HB      LEU  13   2.791 -10.316  -3.828
   88    HG   LEU  13           HG       LEU  13   4.574  -8.770  -4.509
   89   HD11  LEU  13          1HD1      LEU  13   4.739  -9.528  -7.293
   90   HD12  LEU  13          2HD1      LEU  13   5.239 -10.892  -6.299
   91   HD13  LEU  13          3HD1      LEU  13   6.057  -9.338  -6.137
   92   HD21  LEU  13          3HD2      LEU  13   2.413  -9.262  -6.572
   93   HD22  LEU  13          1HD2      LEU  13   3.402  -7.803  -6.500
   94   HD23  LEU  13          2HD2      LEU  13   2.323  -8.205  -5.166
   95    H    GLY  14           HN       GLY  14   5.101  -9.823  -2.031
   96    HA2  GLY  14           2HA      GLY  14   7.432  -9.378  -1.309
   97    HA3  GLY  14           1HA      GLY  14   7.842  -9.269  -3.012
   98    H    ILE  15           HN       ILE  15   4.873  -7.872  -2.835
   99    HA   ILE  15           HA       ILE  15   5.779  -5.270  -1.871
  100    HB   ILE  15           HB       ILE  15   4.993  -4.146  -3.959
  101   HG12  ILE  15          2HG1      ILE  15   5.317  -6.723  -5.437
  102   HG13  ILE  15          1HG1      ILE  15   3.783  -6.462  -4.607
  103   HG21  ILE  15          1HG2      ILE  15   7.045  -4.506  -5.153
  104   HG22  ILE  15          2HG2      ILE  15   7.213  -6.134  -4.496
  105   HG23  ILE  15          3HG2      ILE  15   7.417  -4.734  -3.445
  106   HD11  ILE  15          3HD1      ILE  15   4.142  -5.606  -7.095
  107   HD12  ILE  15          1HD1      ILE  15   4.894  -4.237  -6.276
  108   HD13  ILE  15          2HD1      ILE  15   3.213  -4.652  -5.937
  109    H    CYS  16           HN       CYS  16   3.730  -3.676  -2.668
  110    HA   CYS  16           HA       CYS  16   1.498  -4.849  -1.209
  111    HB2  CYS  16           2HB      CYS  16   1.786  -2.014  -2.206
  112    HB3  CYS  16           1HB      CYS  16   0.688  -2.618  -0.968
  113    H    THR  17           HN       THR  17  -0.497  -5.136  -2.019
  114    HA   THR  17           HA       THR  17  -0.874  -4.650  -4.914
  115    HB   THR  17           HB       THR  17  -2.061  -6.789  -5.069
  116    HG1  THR  17           1HG      THR  17  -1.101  -7.438  -2.514
  117   HG21  THR  17          3HG2      THR  17   0.231  -6.930  -5.651
  118   HG22  THR  17          1HG2      THR  17  -0.041  -8.281  -4.550
  119   HG23  THR  17          2HG2      THR  17   0.747  -6.814  -3.969
  120    H    ILE  18           HN       ILE  18  -3.063  -4.338  -5.568
  121    HA   ILE  18           HA       ILE  18  -4.557  -2.699  -3.907
  122    HB   ILE  18           HB       ILE  18  -4.643  -2.931  -6.434
  123   HG12  ILE  18          2HG1      ILE  18  -7.372  -2.997  -5.140
  124   HG13  ILE  18          1HG1      ILE  18  -6.274  -1.647  -4.871
  125   HG21  ILE  18          1HG2      ILE  18  -6.004  -4.599  -7.395
  126   HG22  ILE  18          2HG2      ILE  18  -6.796  -4.957  -5.860
  127   HG23  ILE  18          3HG2      ILE  18  -5.132  -5.473  -6.135
  128   HD11  ILE  18          3HD1      ILE  18  -7.993  -2.068  -7.081
  129   HD12  ILE  18          1HD1      ILE  18  -6.347  -2.223  -7.679
  130   HD13  ILE  18          2HD1      ILE  18  -6.840  -0.756  -6.835
  131    H    THR  19           HN       THR  19  -6.079  -3.036  -2.392
  132    HA   THR  19           HA       THR  19  -6.632  -5.802  -1.634
  133    HB   THR  19           HB       THR  19  -6.041  -4.592   0.260
  134    HG1  THR  19           1HG      THR  19  -8.288  -3.946   1.138
  135   HG21  THR  19          3HG2      THR  19  -7.393  -2.348  -1.166
  136   HG22  THR  19          1HG2      THR  19  -5.847  -2.374  -0.317
  137   HG23  THR  19          2HG2      THR  19  -7.353  -2.287   0.597
  138    H    LEU  20           HN       LEU  20  -8.869  -6.360  -0.943
  139    HA   LEU  20           HA       LEU  20 -10.711  -5.945  -3.020
  140    HB2  LEU  20           2HB      LEU  20 -10.977  -7.082  -0.260
  141    HB3  LEU  20           1HB      LEU  20 -12.294  -7.060  -1.422
  142    HG   LEU  20           HG       LEU  20  -9.577  -8.287  -1.942
  143   HD11  LEU  20          1HD1      LEU  20 -12.224  -9.571  -1.291
  144   HD12  LEU  20          2HD1      LEU  20 -10.853  -9.451  -0.193
  145   HD13  LEU  20          3HD1      LEU  20 -10.726 -10.424  -1.658
  146   HD21  LEU  20          3HD2      LEU  20 -10.335  -8.061  -4.089
  147   HD22  LEU  20          1HD2      LEU  20 -12.005  -7.810  -3.582
  148   HD23  LEU  20          2HD2      LEU  20 -11.350  -9.443  -3.679
  149    H    SER  21           HN       SER  21 -10.082  -4.279  -0.065
  150    HA   SER  21           HA       SER  21 -12.521  -2.999   0.422
  151    HB2  SER  21           2HB      SER  21  -9.694  -2.015   0.845
  152    HB3  SER  21           1HB      SER  21 -11.127  -1.215   1.482
  153    HG   SER  21           HG       SER  21 -10.569  -3.955   1.930
  154    H    ARG  22           HN       ARG  22  -9.955  -2.253  -1.886
  155    HA   ARG  22           HA       ARG  22 -10.395   0.272  -2.694
  156    HB2  ARG  22           2HB      ARG  22  -8.924  -1.531  -3.786
  157    HB3  ARG  22           1HB      ARG  22 -10.345  -1.941  -4.735
  158    HG2  ARG  22           2HG      ARG  22  -9.114  -0.355  -6.045
  159    HG3  ARG  22           1HG      ARG  22 -10.497   0.509  -5.389
  160    HD2  ARG  22           2HD      ARG  22  -8.024   0.547  -3.737
  161    HD3  ARG  22           1HD      ARG  22  -7.970   1.448  -5.246
  162    HE   ARG  22           HE       ARG  22 -10.366   2.025  -3.806
  163   HH11  ARG  22          1HH2      ARG  22  -6.956   2.606  -3.912
  164   HH12  ARG  22          2HH2      ARG  22  -7.054   4.148  -3.129
  165   HH21  ARG  22          1HH1      ARG  22 -10.502   4.044  -2.774
  166   HH22  ARG  22          2HH1      ARG  22  -9.062   4.961  -2.485
  167    H    ILE  23           HN       ILE  23 -12.626  -2.399  -3.074
  168    HA   ILE  23           HA       ILE  23 -14.620  -0.494  -4.122
  169    HB   ILE  23           HB       ILE  23 -14.435  -3.392  -4.952
  170   HG12  ILE  23          2HG1      ILE  23 -13.609  -0.955  -6.552
  171   HG13  ILE  23          1HG1      ILE  23 -12.458  -1.971  -5.697
  172   HG21  ILE  23          1HG2      ILE  23 -16.381  -2.979  -6.022
  173   HG22  ILE  23          2HG2      ILE  23 -15.759  -1.473  -6.696
  174   HG23  ILE  23          3HG2      ILE  23 -16.477  -1.487  -5.085
  175   HD11  ILE  23          3HD1      ILE  23 -13.252  -2.405  -8.270
  176   HD12  ILE  23          1HD1      ILE  23 -14.353  -3.458  -7.382
  177   HD13  ILE  23          2HD1      ILE  23 -12.609  -3.650  -7.197
  178    H    GLU  24           HN       GLU  24 -14.882  -0.531  -1.648
  179    HA   GLU  24           HA       GLU  24 -17.078  -2.370  -1.037
  180    HB2  GLU  24           2HB      GLU  24 -14.613  -2.057   0.678
  181    HB3  GLU  24           1HB      GLU  24 -16.116  -2.785   1.244
  182    HG2  GLU  24           2HG      GLU  24 -15.983  -4.436  -0.607
  183    HG3  GLU  24           1HG      GLU  24 -14.441  -3.742  -1.087
  184    H    HIS  25           HN       HIS  25 -16.747   0.526  -1.607
  185    HA   HIS  25           HA       HIS  25 -18.322   1.494   0.631
  186    HB2  HIS  25           2HB      HIS  25 -16.569   3.569   0.520
  187    HB3  HIS  25           1HB      HIS  25 -16.473   2.259   1.692
  188    HD2  HIS  25           2HD      HIS  25 -14.127   0.785   1.524
  189    HE1  HIS  25           1HE      HIS  25 -12.899   2.085  -2.295
  190    HE2  HIS  25           2HE      HIS  25 -12.226   0.728  -0.259
  191    HA   PRO  26           HA       PRO  26 -19.126   3.198  -3.702
  192    HB2  PRO  26           2HB      PRO  26 -21.697   2.254  -3.909
  193    HB3  PRO  26           1HB      PRO  26 -20.272   1.367  -4.483
  194    HG2  PRO  26           2HG      PRO  26 -21.824   1.029  -1.965
  195    HG3  PRO  26           1HG      PRO  26 -21.118  -0.198  -3.030
  196    HD2  PRO  26           2HD      PRO  26 -19.944   0.545  -0.692
  197    HD3  PRO  26           1HD      PRO  26 -19.001   0.013  -2.103
  198    H    GLY  27           HN       GLY  27 -20.835   3.126  -0.664
  199    HA2  GLY  27           2HA      GLY  27 -22.745   5.147  -1.116
  200    HA3  GLY  27           1HA      GLY  27 -22.100   4.687   0.456
  201    H    ASN  28           HN       ASN  28 -19.322   5.281  -0.655
  202    HA   ASN  28           HA       ASN  28 -19.034   7.867   0.398
  203    HB2  ASN  28           2HB      ASN  28 -17.173   6.274   0.245
  204    HB3  ASN  28           1HB      ASN  28 -17.217   6.387  -1.512
  205   HD21  ASN  28          1HD2      ASN  28 -14.811   7.100  -0.612
  206   HD22  ASN  28          2HD2      ASN  28 -14.614   8.784  -0.525
  207    H    TYR  29           HN       TYR  29 -19.379   6.722  -2.929
  208    HA   TYR  29           HA       TYR  29 -19.750   9.529  -3.784
  209    HB2  TYR  29           2HB      TYR  29 -19.092   8.379  -6.116
  210    HB3  TYR  29           1HB      TYR  29 -17.891   9.020  -5.007
  211    HD1  TYR  29           2HD      TYR  29 -16.630   7.539  -3.493
  212    HD2  TYR  29           1HD      TYR  29 -19.318   5.959  -6.449
  213    HE1  TYR  29           2HE      TYR  29 -15.608   5.295  -3.229
  214    HE2  TYR  29           1HE      TYR  29 -18.300   3.721  -6.183
  215    HH   TYR  29           HH       TYR  29 -16.131   2.770  -5.419
  216    H    ASP  30           HN       ASP  30 -20.362   7.179  -6.140
  217    HA   ASP  30           HA       ASP  30 -23.215   6.987  -5.515
  218    HB2  ASP  30           2HB      ASP  30 -22.951   9.012  -6.918
  219    HB3  ASP  30           1HB      ASP  30 -22.157   8.034  -8.152
  220    H    TYR  31           HN       TYR  31 -23.415   4.820  -5.441
  221    HA   TYR  31           HA       TYR  31 -23.088   2.587  -5.971
  222    HB2  TYR  31           2HB      TYR  31 -24.887   3.106  -7.473
  223    HB3  TYR  31           1HB      TYR  31 -23.784   3.861  -8.624
  224    HD1  TYR  31           1HD      TYR  31 -24.632   0.617  -6.990
  225    HD2  TYR  31           2HD      TYR  31 -22.661   2.572 -10.268
  226    HE1  TYR  31           1HE      TYR  31 -24.265  -1.581  -8.080
  227    HE2  TYR  31           2HE      TYR  31 -22.294   0.375 -11.358
  228    HH   TYR  31           HH       TYR  31 -22.964  -1.818 -11.340
  Start of MODEL   16
    1    H1   PCA   1           HN       PCA   1   7.419  -2.450   5.750
    2    HA   PCA   1           HA       PCA   1   7.557  -2.414   3.145
    3    HB2  PCA   1           2HB      PCA   1   5.161  -3.949   2.688
    4    HB3  PCA   1           1HB      PCA   1   6.846  -4.402   2.283
    5    HG2  PCA   1           1HG      PCA   1   6.835  -5.916   3.980
    6    HG3  PCA   1           2HG      PCA   1   5.181  -5.407   4.448
    7    H    TRP   2           HN       TRP   2   7.007  -0.317   3.401
    8    HA   TRP   2           HA       TRP   2   4.455   0.520   4.283
    9    HB2  TRP   2           2HB      TRP   2   6.455   1.991   4.184
   10    HB3  TRP   2           1HB      TRP   2   6.353   1.969   2.422
   11    HD1  TRP   2           HD       TRP   2   4.607   3.326   5.519
   12    HE1  TRP   2           1HE      TRP   2   2.905   5.124   4.800
   13    HE3  TRP   2           3HE      TRP   2   4.815   2.761   0.449
   14    HZ2  TRP   2           2HZ      TRP   2   1.780   6.184   2.393
   15    HZ3  TRP   2           3HZ      TRP   2   3.420   4.177  -1.033
   16    HH2  TRP   2           HH       TRP   2   1.904   5.885  -0.067
   17    H    CYS   3           HN       CYS   3   2.543   0.702   3.267
   18    HA   CYS   3           HA       CYS   3   2.464   0.178   0.352
   19    HB2  CYS   3           2HB      CYS   3   0.459  -0.627   2.470
   20    HB3  CYS   3           1HB      CYS   3   0.260  -0.870   0.735
   21    H    GLN   4           HN       GLN   4   0.853   1.262  -0.859
   22    HA   GLN   4           HA       GLN   4   0.212   3.862   0.224
   23    HB2  GLN   4           2HB      GLN   4  -0.841   3.467  -2.406
   24    HB3  GLN   4           1HB      GLN   4   0.478   4.523  -1.902
   25    HG2  GLN   4           2HG      GLN   4   2.018   2.547  -1.984
   26    HG3  GLN   4           1HG      GLN   4   0.684   1.583  -2.617
   27   HE21  GLN   4          1HE2      GLN   4   1.040   1.322  -4.826
   28   HE22  GLN   4          2HE2      GLN   4   1.514   2.563  -5.884
   29    HA   PRO   5           HA       PRO   5  -4.106   3.356   1.025
   30    HB2  PRO   5           2HB      PRO   5  -4.874   5.272  -1.105
   31    HB3  PRO   5           1HB      PRO   5  -5.175   5.342   0.640
   32    HG2  PRO   5           2HG      PRO   5  -3.387   6.908  -0.571
   33    HG3  PRO   5           1HG      PRO   5  -3.174   6.333   1.088
   34    HD2  PRO   5           2HD      PRO   5  -1.796   5.453  -1.412
   35    HD3  PRO   5           1HD      PRO   5  -1.212   5.512   0.262
   36    H    GLY   6           HN       GLY   6  -5.679   1.970   0.391
   37    HA2  GLY   6           2HA      GLY   6  -7.096   0.766  -1.017
   38    HA3  GLY   6           1HA      GLY   6  -6.344   1.555  -2.397
   39    H    TYR   7           HN       TYR   7  -3.856   0.468  -0.545
   40    HA   TYR   7           HA       TYR   7  -3.754  -2.156  -1.901
   41    HB2  TYR   7           2HB      TYR   7  -1.628  -0.079  -1.579
   42    HB3  TYR   7           1HB      TYR   7  -1.206  -1.753  -1.830
   43    HD1  TYR   7           1HD      TYR   7  -3.453   0.897  -3.253
   44    HD2  TYR   7           2HD      TYR   7  -1.013  -2.556  -3.996
   45    HE1  TYR   7           1HE      TYR   7  -3.872   1.126  -5.687
   46    HE2  TYR   7           2HE      TYR   7  -1.443  -2.337  -6.431
   47    HH   TYR   7           HH       TYR   7  -2.299  -1.035  -8.033
   48    H    ALA   8           HN       ALA   8  -2.260  -3.682  -0.865
   49    HA   ALA   8           HA       ALA   8  -1.830  -3.244   1.999
   50    HB1  ALA   8           1HB      ALA   8  -3.447  -4.638   2.667
   51    HB2  ALA   8           2HB      ALA   8  -2.789  -5.921   1.653
   52    HB3  ALA   8           3HB      ALA   8  -3.975  -4.800   0.995
   53    H    TYR   9           HN       TYR   9   0.016  -4.144   2.717
   54    HA   TYR   9           HA       TYR   9   2.019  -4.945   1.047
   55    HB2  TYR   9           2HB      TYR   9   2.579  -4.378   3.284
   56    HB3  TYR   9           1HB      TYR   9   1.535  -5.644   3.928
   57    HD1  TYR   9           1HD      TYR   9   4.006  -5.785   1.089
   58    HD2  TYR   9           2HD      TYR   9   2.951  -7.144   5.029
   59    HE1  TYR   9           1HE      TYR   9   5.882  -7.377   1.035
   60    HE2  TYR   9           2HE      TYR   9   4.839  -8.748   4.977
   61    HH   TYR   9           HH       TYR   9   7.048  -8.890   2.177
   62    H    ASN  10           HN       ASN  10   2.658  -6.775   0.060
   63    HA   ASN  10           HA       ASN  10   1.013  -9.178   0.495
   64    HB2  ASN  10           2HB      ASN  10   1.051  -7.776  -1.762
   65    HB3  ASN  10           1HB      ASN  10   2.403  -8.842  -2.077
   66   HD21  ASN  10          1HD2      ASN  10   1.972 -11.152  -2.240
   67   HD22  ASN  10          2HD2      ASN  10   0.393 -11.748  -2.386
   68    HA   PRO  11           HA       PRO  11   5.315 -10.464   1.544
   69    HB2  PRO  11           2HB      PRO  11   4.599 -12.412   3.348
   70    HB3  PRO  11           1HB      PRO  11   4.773 -10.704   3.765
   71    HG2  PRO  11           2HG      PRO  11   2.336 -12.292   3.323
   72    HG3  PRO  11           1HG      PRO  11   2.603 -10.921   4.396
   73    HD2  PRO  11           2HD      PRO  11   1.284 -10.814   1.961
   74    HD3  PRO  11           1HD      PRO  11   1.975  -9.410   2.788
   75    H    VAL  12           HN       VAL  12   2.857 -11.856  -0.158
   76    HA   VAL  12           HA       VAL  12   4.247 -14.432  -0.523
   77    HB   VAL  12           HB       VAL  12   1.535 -13.592  -1.575
   78   HG11  VAL  12          1HG1      VAL  12   2.990 -16.239  -1.348
   79   HG12  VAL  12          2HG1      VAL  12   2.492 -15.421  -2.830
   80   HG13  VAL  12          3HG1      VAL  12   1.277 -16.097  -1.744
   81   HG21  VAL  12          3HG2      VAL  12   0.599 -14.871   0.291
   82   HG22  VAL  12          1HG2      VAL  12   1.635 -13.590   0.920
   83   HG23  VAL  12          2HG2      VAL  12   2.219 -15.253   0.872
   84    H    LEU  13           HN       LEU  13   3.705 -11.380  -1.939
   85    HA   LEU  13           HA       LEU  13   4.682 -12.351  -4.539
   86    HB2  LEU  13           2HB      LEU  13   2.859 -11.216  -5.258
   87    HB3  LEU  13           1HB      LEU  13   2.715 -10.301  -3.770
   88    HG   LEU  13           HG       LEU  13   4.535  -8.803  -4.484
   89   HD11  LEU  13          1HD1      LEU  13   4.571  -9.553  -7.285
   90   HD12  LEU  13          2HD1      LEU  13   5.079 -10.921  -6.306
   91   HD13  LEU  13          3HD1      LEU  13   5.939  -9.392  -6.183
   92   HD21  LEU  13          3HD2      LEU  13   2.292  -8.150  -5.053
   93   HD22  LEU  13          1HD2      LEU  13   2.301  -9.162  -6.495
   94   HD23  LEU  13          2HD2      LEU  13   3.352  -7.746  -6.396
   95    H    GLY  14           HN       GLY  14   5.080  -9.824  -2.074
   96    HA2  GLY  14           2HA      GLY  14   7.452  -9.412  -1.430
   97    HA3  GLY  14           1HA      GLY  14   7.792  -9.300  -3.147
   98    H    ILE  15           HN       ILE  15   4.815  -7.880  -2.722
   99    HA   ILE  15           HA       ILE  15   5.755  -5.292  -1.791
  100    HB   ILE  15           HB       ILE  15   4.985  -4.143  -3.867
  101   HG12  ILE  15          2HG1      ILE  15   5.231  -6.730  -5.363
  102   HG13  ILE  15          1HG1      ILE  15   3.714  -6.417  -4.531
  103   HG21  ILE  15          1HG2      ILE  15   7.150  -6.159  -4.499
  104   HG22  ILE  15          2HG2      ILE  15   7.408  -4.829  -3.371
  105   HG23  ILE  15          3HG2      ILE  15   7.021  -4.491  -5.059
  106   HD11  ILE  15          3HD1      ILE  15   4.070  -5.584  -7.004
  107   HD12  ILE  15          1HD1      ILE  15   4.898  -4.245  -6.208
  108   HD13  ILE  15          2HD1      ILE  15   3.207  -4.583  -5.835
  109    H    CYS  16           HN       CYS  16   3.709  -3.697  -2.558
  110    HA   CYS  16           HA       CYS  16   1.455  -4.864  -1.127
  111    HB2  CYS  16           2HB      CYS  16   1.716  -2.039  -2.151
  112    HB3  CYS  16           1HB      CYS  16   0.663  -2.640  -0.872
  113    H    THR  17           HN       THR  17  -0.536  -5.167  -1.952
  114    HA   THR  17           HA       THR  17  -0.898  -4.690  -4.854
  115    HB   THR  17           HB       THR  17  -2.141  -6.815  -4.987
  116    HG1  THR  17           1HG      THR  17  -1.102  -7.660  -2.568
  117   HG21  THR  17          3HG2      THR  17  -0.166  -7.663  -5.609
  118   HG22  THR  17          1HG2      THR  17   0.218  -8.001  -3.922
  119   HG23  THR  17          2HG2      THR  17   0.664  -6.452  -4.635
  120    H    ILE  18           HN       ILE  18  -3.071  -4.357  -5.549
  121    HA   ILE  18           HA       ILE  18  -4.586  -2.717  -3.912
  122    HB   ILE  18           HB       ILE  18  -4.648  -2.984  -6.471
  123   HG12  ILE  18          2HG1      ILE  18  -7.405  -2.922  -5.274
  124   HG13  ILE  18          1HG1      ILE  18  -6.259  -1.651  -4.867
  125   HG21  ILE  18          1HG2      ILE  18  -6.846  -4.945  -5.822
  126   HG22  ILE  18          2HG2      ILE  18  -5.203  -5.488  -6.167
  127   HG23  ILE  18          3HG2      ILE  18  -6.112  -4.598  -7.388
  128   HD11  ILE  18          3HD1      ILE  18  -7.043  -2.444  -7.671
  129   HD12  ILE  18          1HD1      ILE  18  -5.921  -1.158  -7.226
  130   HD13  ILE  18          2HD1      ILE  18  -7.626  -1.024  -6.804
  131    H    THR  19           HN       THR  19  -6.103  -3.058  -2.404
  132    HA   THR  19           HA       THR  19  -6.679  -5.819  -1.659
  133    HB   THR  19           HB       THR  19  -6.176  -4.612   0.250
  134    HG1  THR  19           1HG      THR  19  -7.998  -5.373   0.978
  135   HG21  THR  19          3HG2      THR  19  -5.930  -2.414  -0.490
  136   HG22  THR  19          1HG2      THR  19  -7.321  -2.291   0.585
  137   HG23  THR  19          2HG2      THR  19  -7.560  -2.356  -1.161
  138    H    LEU  20           HN       LEU  20  -8.917  -6.452  -1.113
  139    HA   LEU  20           HA       LEU  20 -10.700  -5.914  -3.243
  140    HB2  LEU  20           2HB      LEU  20 -10.885  -7.422  -0.649
  141    HB3  LEU  20           1HB      LEU  20 -12.318  -7.168  -1.628
  142    HG   LEU  20           HG       LEU  20 -11.133  -9.338  -2.127
  143   HD11  LEU  20          1HD1      LEU  20 -11.817  -9.220  -4.298
  144   HD12  LEU  20          2HD1      LEU  20 -10.758  -7.854  -4.649
  145   HD13  LEU  20          3HD1      LEU  20 -12.319  -7.583  -3.885
  146   HD21  LEU  20          3HD2      LEU  20  -9.019  -7.596  -3.405
  147   HD22  LEU  20          1HD2      LEU  20  -8.973  -9.337  -3.125
  148   HD23  LEU  20          2HD2      LEU  20  -8.843  -8.221  -1.766
  149    H    SER  21           HN       SER  21 -10.115  -4.361  -0.249
  150    HA   SER  21           HA       SER  21 -12.648  -3.258   0.299
  151    HB2  SER  21           2HB      SER  21 -11.449  -1.636   1.666
  152    HB3  SER  21           1HB      SER  21 -10.759  -3.239   1.900
  153    HG   SER  21           HG       SER  21  -9.782  -1.332   0.040
  154    H    ARG  22           HN       ARG  22 -10.298  -2.558  -2.111
  155    HA   ARG  22           HA       ARG  22 -10.840   0.138  -2.651
  156    HB2  ARG  22           2HB      ARG  22  -8.947  -1.067  -3.655
  157    HB3  ARG  22           1HB      ARG  22 -10.067  -2.058  -4.589
  158    HG2  ARG  22           2HG      ARG  22 -10.561   0.822  -4.872
  159    HG3  ARG  22           1HG      ARG  22  -8.969   0.329  -5.446
  160    HD2  ARG  22           2HD      ARG  22  -9.992  -1.399  -6.857
  161    HD3  ARG  22           1HD      ARG  22 -11.589  -0.967  -6.257
  162    HE   ARG  22           HE       ARG  22 -10.452   1.361  -7.306
  163   HH11  ARG  22          1HH2      ARG  22 -11.422  -1.795  -8.343
  164   HH12  ARG  22          2HH2      ARG  22 -11.816  -1.296  -9.953
  165   HH21  ARG  22          1HH1      ARG  22 -10.967   2.023  -9.417
  166   HH22  ARG  22          2HH1      ARG  22 -11.559   0.865 -10.561
  167    H    ILE  23           HN       ILE  23 -12.493  -2.820  -3.619
  168    HA   ILE  23           HA       ILE  23 -14.184  -1.705  -5.588
  169    HB   ILE  23           HB       ILE  23 -14.741  -4.027  -3.731
  170   HG12  ILE  23          2HG1      ILE  23 -13.565  -4.013  -6.530
  171   HG13  ILE  23          1HG1      ILE  23 -12.601  -4.157  -5.059
  172   HG21  ILE  23          1HG2      ILE  23 -15.879  -4.425  -6.273
  173   HG22  ILE  23          2HG2      ILE  23 -16.264  -2.756  -5.854
  174   HG23  ILE  23          3HG2      ILE  23 -16.743  -4.068  -4.778
  175   HD11  ILE  23          3HD1      ILE  23 -14.087  -6.147  -4.448
  176   HD12  ILE  23          1HD1      ILE  23 -12.981  -6.396  -5.798
  177   HD13  ILE  23          2HD1      ILE  23 -14.688  -6.080  -6.104
  178    H    GLU  24           HN       GLU  24 -16.228  -3.088  -3.308
  179    HA   GLU  24           HA       GLU  24 -17.238  -0.431  -2.460
  180    HB2  GLU  24           2HB      GLU  24 -18.713  -2.937  -3.236
  181    HB3  GLU  24           1HB      GLU  24 -19.478  -1.570  -2.422
  182    HG2  GLU  24           2HG      GLU  24 -18.870  -0.072  -4.240
  183    HG3  GLU  24           1HG      GLU  24 -17.961  -1.355  -5.036
  184    H    HIS  25           HN       HIS  25 -16.700  -0.215  -0.359
  185    HA   HIS  25           HA       HIS  25 -17.736  -2.111   1.511
  186    HB2  HIS  25           2HB      HIS  25 -14.754  -1.630   1.431
  187    HB3  HIS  25           1HB      HIS  25 -15.613  -2.634   2.591
  188    HD2  HIS  25           2HD      HIS  25 -14.644  -2.730  -1.240
  189    HE1  HIS  25           1HE      HIS  25 -16.005  -6.557  -0.117
  190    HE2  HIS  25           2HE      HIS  25 -14.933  -5.214  -1.981
  191    HA   PRO  26           HA       PRO  26 -18.090   1.689   3.798
  192    HB2  PRO  26           2HB      PRO  26 -18.345   0.704   6.342
  193    HB3  PRO  26           1HB      PRO  26 -19.650   0.671   5.140
  194    HG2  PRO  26           2HG      PRO  26 -17.788  -1.491   5.976
  195    HG3  PRO  26           1HG      PRO  26 -19.515  -1.571   5.588
  196    HD2  PRO  26           2HD      PRO  26 -17.574  -2.346   3.831
  197    HD3  PRO  26           1HD      PRO  26 -19.137  -1.684   3.306
  198    H    GLY  27           HN       GLY  27 -15.753  -0.708   4.871
  199    HA2  GLY  27           2HA      GLY  27 -14.268   1.056   6.568
  200    HA3  GLY  27           1HA      GLY  27 -13.740  -0.520   5.984
  201    H    ASN  28           HN       ASN  28 -14.500   0.690   3.190
  202    HA   ASN  28           HA       ASN  28 -11.804   1.622   2.630
  203    HB2  ASN  28           2HB      ASN  28 -13.103  -0.035   1.200
  204    HB3  ASN  28           1HB      ASN  28 -14.049   1.342   0.653
  205   HD21  ASN  28          1HD2      ASN  28 -13.181   1.226  -1.538
  206   HD22  ASN  28          2HD2      ASN  28 -11.573   1.652  -1.874
  207    H    TYR  29           HN       TYR  29 -15.122   2.793   2.222
  208    HA   TYR  29           HA       TYR  29 -14.308   5.504   2.708
  209    HB2  TYR  29           2HB      TYR  29 -15.126   6.404   0.535
  210    HB3  TYR  29           1HB      TYR  29 -13.663   5.428   0.386
  211    HD1  TYR  29           2HD      TYR  29 -17.297   5.540  -0.183
  212    HD2  TYR  29           1HD      TYR  29 -13.707   3.238  -0.626
  213    HE1  TYR  29           2HE      TYR  29 -18.483   3.990  -1.711
  214    HE2  TYR  29           1HE      TYR  29 -14.890   1.681  -2.149
  215    HH   TYR  29           HH       TYR  29 -17.460   2.288  -3.755
  216    H    ASP  30           HN       ASP  30 -16.777   3.263   1.787
  217    HA   ASP  30           HA       ASP  30 -19.022   3.150   2.311
  218    HB2  ASP  30           2HB      ASP  30 -17.933   3.837   4.608
  219    HB3  ASP  30           1HB      ASP  30 -18.696   5.386   4.288
  220    H    TYR  31           HN       TYR  31 -19.179   4.141   0.103
  221    HA   TYR  31           HA       TYR  31 -20.128   5.635  -1.363
  222    HB2  TYR  31           2HB      TYR  31 -22.149   5.125  -0.119
  223    HB3  TYR  31           1HB      TYR  31 -21.717   6.295   1.129
  224    HD1  TYR  31           1HD      TYR  31 -22.509   5.968  -2.504
  225    HD2  TYR  31           2HD      TYR  31 -22.271   8.586   0.894
  226    HE1  TYR  31           1HE      TYR  31 -23.601   7.769  -3.813
  227    HE2  TYR  31           2HE      TYR  31 -23.361  10.386  -0.416
  228    HH   TYR  31           HH       TYR  31 -24.639   9.785  -3.653
  Start of MODEL   17
    1    H1   PCA   1           HN       PCA   1   7.474  -2.331   5.790
    2    HA   PCA   1           HA       PCA   1   7.401  -2.589   3.180
    3    HB2  PCA   1           2HB      PCA   1   4.921  -4.088   3.163
    4    HB3  PCA   1           1HB      PCA   1   6.531  -4.609   2.575
    5    HG2  PCA   1           1HG      PCA   1   6.775  -5.946   4.399
    6    HG3  PCA   1           2HG      PCA   1   5.173  -5.417   5.006
    7    H    TRP   2           HN       TRP   2   6.944  -0.432   3.387
    8    HA   TRP   2           HA       TRP   2   4.403   0.474   4.295
    9    HB2  TRP   2           2HB      TRP   2   6.422   1.909   4.222
   10    HB3  TRP   2           1HB      TRP   2   6.370   1.862   2.460
   11    HD1  TRP   2           HD       TRP   2   4.575   3.312   5.486
   12    HE1  TRP   2           1HE      TRP   2   2.929   5.130   4.691
   13    HE3  TRP   2           3HE      TRP   2   4.894   2.644   0.434
   14    HZ2  TRP   2           2HZ      TRP   2   1.885   6.165   2.237
   15    HZ3  TRP   2           3HZ      TRP   2   3.565   4.058  -1.108
   16    HH2  TRP   2           HH       TRP   2   2.063   5.815  -0.214
   17    H    CYS   3           HN       CYS   3   2.502   0.636   3.264
   18    HA   CYS   3           HA       CYS   3   2.454   0.148   0.344
   19    HB2  CYS   3           2HB      CYS   3   0.432  -0.688   2.430
   20    HB3  CYS   3           1HB      CYS   3   0.245  -0.903   0.689
   21    H    GLN   4           HN       GLN   4   0.880   1.262  -0.878
   22    HA   GLN   4           HA       GLN   4   0.220   3.850   0.218
   23    HB2  GLN   4           2HB      GLN   4  -0.860   3.452  -2.406
   24    HB3  GLN   4           1HB      GLN   4   0.461   4.511  -1.914
   25    HG2  GLN   4           2HG      GLN   4   2.006   2.551  -2.014
   26    HG3  GLN   4           1HG      GLN   4   0.673   1.572  -2.629
   27   HE21  GLN   4          1HE2      GLN   4   1.059   1.287  -4.830
   28   HE22  GLN   4          2HE2      GLN   4   1.484   2.531  -5.904
   29    HA   PRO   5           HA       PRO   5  -4.093   3.362   1.048
   30    HB2  PRO   5           2HB      PRO   5  -4.876   5.272  -1.080
   31    HB3  PRO   5           1HB      PRO   5  -5.145   5.362   0.669
   32    HG2  PRO   5           2HG      PRO   5  -3.365   6.904  -0.605
   33    HG3  PRO   5           1HG      PRO   5  -3.144   6.366   1.066
   34    HD2  PRO   5           2HD      PRO   5  -1.781   5.433  -1.419
   35    HD3  PRO   5           1HD      PRO   5  -1.194   5.502   0.255
   36    H    GLY   6           HN       GLY   6  -5.685   1.983   0.430
   37    HA2  GLY   6           2HA      GLY   6  -7.113   0.769  -0.958
   38    HA3  GLY   6           1HA      GLY   6  -6.382   1.566  -2.347
   39    H    TYR   7           HN       TYR   7  -3.860   0.490  -0.552
   40    HA   TYR   7           HA       TYR   7  -3.771  -2.125  -1.929
   41    HB2  TYR   7           2HB      TYR   7  -1.656  -0.034  -1.617
   42    HB3  TYR   7           1HB      TYR   7  -1.211  -1.704  -1.860
   43    HD1  TYR   7           2HD      TYR   7  -3.508   0.906  -3.276
   44    HD2  TYR   7           1HD      TYR   7  -1.011  -2.503  -4.027
   45    HE1  TYR   7           2HE      TYR   7  -3.943   1.126  -5.708
   46    HE2  TYR   7           1HE      TYR   7  -1.450  -2.290  -6.463
   47    HH   TYR   7           HH       TYR   7  -3.812  -0.857  -7.784
   48    H    ALA   8           HN       ALA   8  -2.203  -3.636  -0.902
   49    HA   ALA   8           HA       ALA   8  -1.760  -3.205   1.954
   50    HB1  ALA   8           1HB      ALA   8  -4.014  -4.571   1.167
   51    HB2  ALA   8           2HB      ALA   8  -3.210  -4.754   2.725
   52    HB3  ALA   8           3HB      ALA   8  -2.851  -5.873   1.409
   53    H    TYR   9           HN       TYR   9   0.056  -4.179   2.678
   54    HA   TYR   9           HA       TYR   9   2.028  -4.988   0.967
   55    HB2  TYR   9           2HB      TYR   9   2.553  -4.395   3.249
   56    HB3  TYR   9           1HB      TYR   9   1.642  -5.780   3.846
   57    HD1  TYR   9           2HD      TYR   9   4.058  -5.550   0.961
   58    HD2  TYR   9           1HD      TYR   9   3.229  -7.208   4.840
   59    HE1  TYR   9           2HE      TYR   9   6.067  -6.967   0.781
   60    HE2  TYR   9           1HE      TYR   9   5.251  -8.635   4.655
   61    HH   TYR   9           HH       TYR   9   7.316  -8.745   3.474
   62    H    ASN  10           HN       ASN  10   2.665  -6.849   0.016
   63    HA   ASN  10           HA       ASN  10   0.968  -9.226   0.469
   64    HB2  ASN  10           2HB      ASN  10   1.014  -7.838  -1.806
   65    HB3  ASN  10           1HB      ASN  10   2.381  -8.890  -2.097
   66   HD21  ASN  10          1HD2      ASN  10   1.975 -11.169  -2.367
   67   HD22  ASN  10          2HD2      ASN  10   0.409 -11.805  -2.476
   68    HA   PRO  11           HA       PRO  11   5.275 -10.437   1.674
   69    HB2  PRO  11           2HB      PRO  11   3.966 -12.463   3.301
   70    HB3  PRO  11           1HB      PRO  11   5.000 -11.124   3.808
   71    HG2  PRO  11           2HG      PRO  11   2.307 -11.291   4.283
   72    HG3  PRO  11           1HG      PRO  11   3.239  -9.792   4.262
   73    HD2  PRO  11           2HD      PRO  11   1.374 -10.869   2.220
   74    HD3  PRO  11           1HD      PRO  11   1.813  -9.192   2.580
   75    H    VAL  12           HN       VAL  12   2.858 -11.799  -0.141
   76    HA   VAL  12           HA       VAL  12   4.247 -14.383  -0.479
   77    HB   VAL  12           HB       VAL  12   1.543 -13.569  -1.562
   78   HG11  VAL  12          1HG1      VAL  12   2.511 -15.434  -2.757
   79   HG12  VAL  12          2HG1      VAL  12   1.292 -16.082  -1.659
   80   HG13  VAL  12          3HG1      VAL  12   3.003 -16.207  -1.250
   81   HG21  VAL  12          3HG2      VAL  12   2.236 -15.114   0.957
   82   HG22  VAL  12          1HG2      VAL  12   0.610 -14.850   0.330
   83   HG23  VAL  12          2HG2      VAL  12   1.562 -13.484   0.913
   84    H    LEU  13           HN       LEU  13   3.697 -11.348  -1.928
   85    HA   LEU  13           HA       LEU  13   4.689 -12.351  -4.513
   86    HB2  LEU  13           2HB      LEU  13   2.847 -11.233  -5.271
   87    HB3  LEU  13           1HB      LEU  13   2.697 -10.294  -3.802
   88    HG   LEU  13           HG       LEU  13   4.520  -8.815  -4.533
   89   HD11  LEU  13          1HD1      LEU  13   4.555  -9.623  -7.334
   90   HD12  LEU  13          2HD1      LEU  13   5.068 -10.958  -6.317
   91   HD13  LEU  13          3HD1      LEU  13   5.918  -9.421  -6.233
   92   HD21  LEU  13          3HD2      LEU  13   2.289  -8.132  -5.121
   93   HD22  LEU  13          1HD2      LEU  13   2.272  -9.193  -6.528
   94   HD23  LEU  13          2HD2      LEU  13   3.343  -7.794  -6.491
   95    H    GLY  14           HN       GLY  14   5.069  -9.839  -2.036
   96    HA2  GLY  14           2HA      GLY  14   7.416  -9.413  -1.375
   97    HA3  GLY  14           1HA      GLY  14   7.790  -9.307  -3.091
   98    H    ILE  15           HN       ILE  15   4.836  -7.889  -2.794
   99    HA   ILE  15           HA       ILE  15   5.743  -5.276  -1.858
  100    HB   ILE  15           HB       ILE  15   5.001  -4.151  -3.953
  101   HG12  ILE  15          2HG1      ILE  15   5.225  -6.753  -5.415
  102   HG13  ILE  15          1HG1      ILE  15   3.716  -6.423  -4.578
  103   HG21  ILE  15          1HG2      ILE  15   7.149  -6.206  -4.524
  104   HG22  ILE  15          2HG2      ILE  15   7.409  -4.833  -3.448
  105   HG23  ILE  15          3HG2      ILE  15   7.033  -4.561  -5.150
  106   HD11  ILE  15          3HD1      ILE  15   3.193  -4.616  -5.914
  107   HD12  ILE  15          1HD1      ILE  15   4.073  -5.616  -7.072
  108   HD13  ILE  15          2HD1      ILE  15   4.884  -4.266  -6.282
  109    H    CYS  16           HN       CYS  16   3.706  -3.684  -2.630
  110    HA   CYS  16           HA       CYS  16   1.461  -4.850  -1.198
  111    HB2  CYS  16           2HB      CYS  16   1.751  -2.029  -2.216
  112    HB3  CYS  16           1HB      CYS  16   0.671  -2.619  -0.954
  113    H    THR  17           HN       THR  17  -0.541  -5.111  -2.012
  114    HA   THR  17           HA       THR  17  -0.910  -4.606  -4.906
  115    HB   THR  17           HB       THR  17  -2.135  -6.735  -5.084
  116    HG1  THR  17           1HG      THR  17  -1.092  -7.573  -2.650
  117   HG21  THR  17          3HG2      THR  17   0.260  -7.886  -4.001
  118   HG22  THR  17          1HG2      THR  17   0.655  -6.362  -4.792
  119   HG23  THR  17          2HG2      THR  17  -0.172  -7.634  -5.690
  120    H    ILE  18           HN       ILE  18  -3.108  -4.301  -5.573
  121    HA   ILE  18           HA       ILE  18  -4.607  -2.673  -3.910
  122    HB   ILE  18           HB       ILE  18  -4.711  -2.876  -6.426
  123   HG12  ILE  18          2HG1      ILE  18  -7.449  -3.063  -5.181
  124   HG13  ILE  18          1HG1      ILE  18  -6.395  -1.704  -4.808
  125   HG21  ILE  18          1HG2      ILE  18  -5.093  -5.431  -6.188
  126   HG22  ILE  18          2HG2      ILE  18  -6.032  -4.569  -7.407
  127   HG23  ILE  18          3HG2      ILE  18  -6.774  -5.003  -5.866
  128   HD11  ILE  18          3HD1      ILE  18  -8.067  -1.932  -7.025
  129   HD12  ILE  18          1HD1      ILE  18  -6.455  -2.232  -7.659
  130   HD13  ILE  18          2HD1      ILE  18  -6.790  -0.740  -6.785
  131    H    THR  19           HN       THR  19  -6.062  -3.033  -2.364
  132    HA   THR  19           HA       THR  19  -6.602  -5.778  -1.584
  133    HB   THR  19           HB       THR  19  -6.144  -4.516   0.302
  134    HG1  THR  19           1HG      THR  19  -8.923  -4.077   0.095
  135   HG21  THR  19          3HG2      THR  19  -7.498  -2.214   0.502
  136   HG22  THR  19          1HG2      THR  19  -7.437  -2.333  -1.256
  137   HG23  THR  19          2HG2      THR  19  -5.942  -2.313  -0.318
  138    H    LEU  20           HN       LEU  20  -8.804  -6.483  -1.057
  139    HA   LEU  20           HA       LEU  20 -10.599  -6.096  -3.169
  140    HB2  LEU  20           2HB      LEU  20 -10.904  -7.306  -0.449
  141    HB3  LEU  20           1HB      LEU  20 -12.185  -7.299  -1.647
  142    HG   LEU  20           HG       LEU  20  -9.414  -8.419  -2.136
  143   HD11  LEU  20          1HD1      LEU  20 -12.029  -9.737  -1.453
  144   HD12  LEU  20          2HD1      LEU  20 -10.539  -9.776  -0.513
  145   HD13  LEU  20          3HD1      LEU  20 -10.624 -10.601  -2.069
  146   HD21  LEU  20          3HD2      LEU  20 -10.129  -8.131  -4.289
  147   HD22  LEU  20          1HD2      LEU  20 -11.817  -7.963  -3.815
  148   HD23  LEU  20          2HD2      LEU  20 -11.103  -9.565  -3.969
  149    H    SER  21           HN       SER  21 -10.175  -4.486  -0.143
  150    HA   SER  21           HA       SER  21 -12.697  -3.335   0.223
  151    HB2  SER  21           2HB      SER  21 -10.896  -3.207   1.901
  152    HB3  SER  21           1HB      SER  21  -9.987  -2.129   0.846
  153    HG   SER  21           HG       SER  21 -12.549  -1.680   1.988
  154    H    ARG  22           HN       ARG  22  -9.999  -2.369  -1.840
  155    HA   ARG  22           HA       ARG  22 -10.619   0.175  -2.586
  156    HB2  ARG  22           2HB      ARG  22  -8.772  -1.335  -3.499
  157    HB3  ARG  22           1HB      ARG  22  -9.969  -1.940  -4.642
  158    HG2  ARG  22           2HG      ARG  22  -9.103  -0.194  -5.892
  159    HG3  ARG  22           1HG      ARG  22 -10.380   0.667  -5.038
  160    HD2  ARG  22           2HD      ARG  22  -8.763   1.370  -3.317
  161    HD3  ARG  22           1HD      ARG  22  -7.484   0.497  -4.158
  162    HE   ARG  22           HE       ARG  22  -8.330   2.150  -6.091
  163   HH11  ARG  22          1HH2      ARG  22  -7.699   2.674  -2.729
  164   HH12  ARG  22          2HH2      ARG  22  -7.224   4.325  -2.933
  165   HH21  ARG  22          1HH1      ARG  22  -7.708   4.317  -6.367
  166   HH22  ARG  22          2HH1      ARG  22  -7.228   5.256  -4.992
  167    H    ILE  23           HN       ILE  23 -12.367  -2.752  -3.416
  168    HA   ILE  23           HA       ILE  23 -14.124  -1.327  -5.260
  169    HB   ILE  23           HB       ILE  23 -14.074  -4.193  -4.330
  170   HG12  ILE  23          2HG1      ILE  23 -13.442  -3.007  -7.045
  171   HG13  ILE  23          1HG1      ILE  23 -12.209  -3.366  -5.836
  172   HG21  ILE  23          1HG2      ILE  23 -15.580  -4.117  -6.619
  173   HG22  ILE  23          2HG2      ILE  23 -16.058  -2.613  -5.834
  174   HG23  ILE  23          3HG2      ILE  23 -16.252  -4.148  -4.989
  175   HD11  ILE  23          3HD1      ILE  23 -14.082  -5.325  -7.183
  176   HD12  ILE  23          1HD1      ILE  23 -13.095  -5.742  -5.783
  177   HD13  ILE  23          2HD1      ILE  23 -12.323  -5.274  -7.297
  178    H    GLU  24           HN       GLU  24 -15.478  -3.770  -3.252
  179    HA   GLU  24           HA       GLU  24 -16.750  -1.879  -1.431
  180    HB2  GLU  24           2HB      GLU  24 -18.304  -3.473  -3.479
  181    HB3  GLU  24           1HB      GLU  24 -19.043  -2.721  -2.064
  182    HG2  GLU  24           2HG      GLU  24 -18.078  -0.523  -2.822
  183    HG3  GLU  24           1HG      GLU  24 -17.567  -1.319  -4.307
  184    H    HIS  25           HN       HIS  25 -15.271  -3.365  -0.152
  185    HA   HIS  25           HA       HIS  25 -16.888  -5.580   0.897
  186    HB2  HIS  25           2HB      HIS  25 -13.994  -5.856   0.069
  187    HB3  HIS  25           1HB      HIS  25 -14.914  -7.064   0.966
  188    HD2  HIS  25           2HD      HIS  25 -14.610  -5.707  -2.682
  189    HE1  HIS  25           1HE      HIS  25 -17.462  -8.816  -2.706
  190    HE2  HIS  25           2HE      HIS  25 -16.099  -7.252  -4.171
  191    HA   PRO  26           HA       PRO  26 -14.921  -2.773   4.100
  192    HB2  PRO  26           2HB      PRO  26 -17.639  -2.958   5.260
  193    HB3  PRO  26           1HB      PRO  26 -16.645  -1.526   4.936
  194    HG2  PRO  26           2HG      PRO  26 -18.794  -2.096   3.469
  195    HG3  PRO  26           1HG      PRO  26 -17.343  -1.367   2.757
  196    HD2  PRO  26           2HD      PRO  26 -18.270  -4.224   2.637
  197    HD3  PRO  26           1HD      PRO  26 -17.539  -3.219   1.364
  198    H    GLY  27           HN       GLY  27 -16.934  -5.630   4.226
  199    HA2  GLY  27           2HA      GLY  27 -16.539  -6.367   6.915
  200    HA3  GLY  27           1HA      GLY  27 -16.935  -7.475   5.607
  201    H    ASN  28           HN       ASN  28 -14.473  -6.655   4.104
  202    HA   ASN  28           HA       ASN  28 -12.755  -8.698   4.972
  203    HB2  ASN  28           2HB      ASN  28 -12.314  -6.323   3.173
  204    HB3  ASN  28           1HB      ASN  28 -11.075  -7.545   3.452
  205   HD21  ASN  28          1HD2      ASN  28 -12.182  -7.157   0.849
  206   HD22  ASN  28          2HD2      ASN  28 -13.100  -8.527   0.446
  207    H    TYR  29           HN       TYR  29 -12.731  -5.221   5.590
  208    HA   TYR  29           HA       TYR  29 -10.528  -5.637   7.527
  209    HB2  TYR  29           2HB      TYR  29 -11.304  -3.112   6.042
  210    HB3  TYR  29           1HB      TYR  29  -9.988  -3.260   7.207
  211    HD1  TYR  29           1HD      TYR  29 -11.220  -4.407   3.905
  212    HD2  TYR  29           2HD      TYR  29  -7.894  -4.257   6.615
  213    HE1  TYR  29           1HE      TYR  29  -9.725  -5.228   2.108
  214    HE2  TYR  29           2HE      TYR  29  -6.392  -5.072   4.816
  215    HH   TYR  29           HH       TYR  29  -6.370  -5.063   2.297
  216    H    ASP  30           HN       ASP  30 -13.748  -5.415   7.453
  217    HA   ASP  30           HA       ASP  30 -15.393  -4.689   8.853
  218    HB2  ASP  30           2HB      ASP  30 -13.130  -4.925  10.843
  219    HB3  ASP  30           1HB      ASP  30 -14.848  -4.904  11.203
  220    H    TYR  31           HN       TYR  31 -14.091  -2.614   7.459
  221    HA   TYR  31           HA       TYR  31 -14.542  -0.411   9.342
  222    HB2  TYR  31           2HB      TYR  31 -12.170  -0.579   9.469
  223    HB3  TYR  31           1HB      TYR  31 -12.023  -0.823   7.728
  224    HD1  TYR  31           1HD      TYR  31 -13.034   1.652  10.328
  225    HD2  TYR  31           2HD      TYR  31 -11.883   1.019   6.238
  226    HE1  TYR  31           1HE      TYR  31 -12.858   4.104   9.998
  227    HE2  TYR  31           2HE      TYR  31 -11.708   3.471   5.908
  228    HH   TYR  31           HH       TYR  31 -11.307   5.589   8.053
  Start of MODEL   18
    1    H1   PCA   1           HN       PCA   1   8.373  -1.737   4.069
    2    HA   PCA   1           HA       PCA   1   6.778  -3.341   2.699
    3    HB2  PCA   1           2HB      PCA   1   5.057  -3.790   5.017
    4    HB3  PCA   1           1HB      PCA   1   5.900  -4.999   3.998
    5    HG2  PCA   1           1HG      PCA   1   7.512  -5.268   5.581
    6    HG3  PCA   1           2HG      PCA   1   6.625  -4.132   6.645
    7    H    TRP   2           HN       TRP   2   7.056  -0.550   3.362
    8    HA   TRP   2           HA       TRP   2   4.581   0.494   4.222
    9    HB2  TRP   2           2HB      TRP   2   6.668   1.823   4.042
   10    HB3  TRP   2           1HB      TRP   2   6.554   1.727   2.284
   11    HD1  TRP   2           HD       TRP   2   4.937   3.354   5.320
   12    HE1  TRP   2           1HE      TRP   2   3.354   5.227   4.523
   13    HE3  TRP   2           3HE      TRP   2   5.045   2.519   0.283
   14    HZ2  TRP   2           2HZ      TRP   2   2.276   6.237   2.073
   15    HZ3  TRP   2           3HZ      TRP   2   3.733   3.950  -1.258
   16    HH2  TRP   2           HH       TRP   2   2.350   5.807  -0.369
   17    H    CYS   3           HN       CYS   3   2.667   0.756   3.227
   18    HA   CYS   3           HA       CYS   3   2.515   0.175   0.328
   19    HB2  CYS   3           2HB      CYS   3   0.533  -0.562   2.486
   20    HB3  CYS   3           1HB      CYS   3   0.287  -0.801   0.758
   21    H    GLN   4           HN       GLN   4   0.847   1.218  -0.839
   22    HA   GLN   4           HA       GLN   4   0.264   3.862   0.186
   23    HB2  GLN   4           2HB      GLN   4  -0.819   3.432  -2.422
   24    HB3  GLN   4           1HB      GLN   4   0.527   4.471  -1.955
   25    HG2  GLN   4           2HG      GLN   4   2.036   2.487  -2.036
   26    HG3  GLN   4           1HG      GLN   4   0.678   1.510  -2.596
   27   HE21  GLN   4          1HE2      GLN   4   3.342   2.735  -3.866
   28   HE22  GLN   4          2HE2      GLN   4   2.785   3.269  -5.377
   29    HA   PRO   5           HA       PRO   5  -4.030   3.377   1.080
   30    HB2  PRO   5           2HB      PRO   5  -4.819   5.306  -1.030
   31    HB3  PRO   5           1HB      PRO   5  -5.077   5.383   0.720
   32    HG2  PRO   5           2HG      PRO   5  -3.296   6.924  -0.554
   33    HG3  PRO   5           1HG      PRO   5  -3.072   6.378   1.115
   34    HD2  PRO   5           2HD      PRO   5  -1.712   5.456  -1.374
   35    HD3  PRO   5           1HD      PRO   5  -1.131   5.503   0.302
   36    H    GLY   6           HN       GLY   6  -5.640   2.016   0.469
   37    HA2  GLY   6           2HA      GLY   6  -7.090   0.832  -0.919
   38    HA3  GLY   6           1HA      GLY   6  -6.353   1.626  -2.302
   39    H    TYR   7           HN       TYR   7  -3.867   0.458  -0.483
   40    HA   TYR   7           HA       TYR   7  -3.823  -2.139  -1.903
   41    HB2  TYR   7           2HB      TYR   7  -1.659  -0.104  -1.564
   42    HB3  TYR   7           1HB      TYR   7  -1.254  -1.784  -1.823
   43    HD1  TYR   7           2HD      TYR   7  -3.508   0.878  -3.218
   44    HD2  TYR   7           1HD      TYR   7  -1.048  -2.552  -4.001
   45    HE1  TYR   7           2HE      TYR   7  -3.932   1.131  -5.648
   46    HE2  TYR   7           1HE      TYR   7  -1.477  -2.304  -6.436
   47    HH   TYR   7           HH       TYR   7  -2.595   0.416  -7.829
   48    H    ALA   8           HN       ALA   8  -2.313  -3.701  -0.894
   49    HA   ALA   8           HA       ALA   8  -1.930  -3.315   1.985
   50    HB1  ALA   8           1HB      ALA   8  -3.270  -5.033   2.662
   51    HB2  ALA   8           2HB      ALA   8  -3.000  -5.966   1.190
   52    HB3  ALA   8           3HB      ALA   8  -4.148  -4.627   1.188
   53    H    TYR   9           HN       TYR   9  -0.070  -4.184   2.705
   54    HA   TYR   9           HA       TYR   9   1.968  -4.941   1.042
   55    HB2  TYR   9           2HB      TYR   9   2.508  -4.365   3.282
   56    HB3  TYR   9           1HB      TYR   9   1.477  -5.641   3.925
   57    HD1  TYR   9           1HD      TYR   9   3.948  -5.792   1.092
   58    HD2  TYR   9           2HD      TYR   9   2.940  -7.090   5.063
   59    HE1  TYR   9           1HE      TYR   9   5.845  -7.356   1.050
   60    HE2  TYR   9           2HE      TYR   9   4.851  -8.669   5.023
   61    HH   TYR   9           HH       TYR   9   7.003  -8.874   2.183
   62    H    ASN  10           HN       ASN  10   2.641  -6.762   0.059
   63    HA   ASN  10           HA       ASN  10   1.032  -9.186   0.497
   64    HB2  ASN  10           2HB      ASN  10   1.055  -7.791  -1.778
   65    HB3  ASN  10           1HB      ASN  10   2.421  -8.848  -2.072
   66   HD21  ASN  10          1HD2      ASN  10   2.010 -11.161  -2.227
   67   HD22  ASN  10          2HD2      ASN  10   0.437 -11.773  -2.372
   68    HA   PRO  11           HA       PRO  11   5.342 -10.401   1.576
   69    HB2  PRO  11           2HB      PRO  11   4.646 -12.323   3.389
   70    HB3  PRO  11           1HB      PRO  11   4.800 -10.606   3.777
   71    HG2  PRO  11           2HG      PRO  11   2.380 -12.232   3.382
   72    HG3  PRO  11           1HG      PRO  11   2.636 -10.827   4.416
   73    HD2  PRO  11           2HD      PRO  11   1.316 -10.805   1.970
   74    HD3  PRO  11           1HD      PRO  11   1.973  -9.375   2.780
   75    H    VAL  12           HN       VAL  12   2.894 -11.833  -0.121
   76    HA   VAL  12           HA       VAL  12   4.312 -14.393  -0.467
   77    HB   VAL  12           HB       VAL  12   1.586 -13.589  -1.508
   78   HG11  VAL  12          1HG1      VAL  12   3.124 -16.192  -1.352
   79   HG12  VAL  12          2HG1      VAL  12   2.474 -15.405  -2.790
   80   HG13  VAL  12          3HG1      VAL  12   1.381 -16.136  -1.614
   81   HG21  VAL  12          3HG2      VAL  12   1.536 -13.568   0.925
   82   HG22  VAL  12          1HG2      VAL  12   2.404 -15.102   0.991
   83   HG23  VAL  12          2HG2      VAL  12   0.756 -15.049   0.364
   84    H    LEU  13           HN       LEU  13   3.746 -11.358  -1.908
   85    HA   LEU  13           HA       LEU  13   4.717 -12.351  -4.502
   86    HB2  LEU  13           2HB      LEU  13   2.879 -11.232  -5.239
   87    HB3  LEU  13           1HB      LEU  13   2.727 -10.306  -3.757
   88    HG   LEU  13           HG       LEU  13   4.542  -8.808  -4.482
   89   HD11  LEU  13          1HD1      LEU  13   5.951  -9.411  -6.170
   90   HD12  LEU  13          2HD1      LEU  13   4.591  -9.573  -7.282
   91   HD13  LEU  13          3HD1      LEU  13   5.087 -10.938  -6.294
   92   HD21  LEU  13          3HD2      LEU  13   2.304  -8.151  -5.060
   93   HD22  LEU  13          1HD2      LEU  13   2.306  -9.187  -6.485
   94   HD23  LEU  13          2HD2      LEU  13   3.359  -7.774  -6.416
   95    H    GLY  14           HN       GLY  14   5.084  -9.796  -2.059
   96    HA2  GLY  14           2HA      GLY  14   7.443  -9.370  -1.407
   97    HA3  GLY  14           1HA      GLY  14   7.800  -9.270  -3.125
   98    H    ILE  15           HN       ILE  15   4.812  -7.861  -2.696
   99    HA   ILE  15           HA       ILE  15   5.734  -5.254  -1.807
  100    HB   ILE  15           HB       ILE  15   4.944  -4.137  -3.904
  101   HG12  ILE  15          2HG1      ILE  15   5.247  -6.737  -5.359
  102   HG13  ILE  15          1HG1      ILE  15   3.726  -6.448  -4.527
  103   HG21  ILE  15          1HG2      ILE  15   7.150  -6.124  -4.488
  104   HG22  ILE  15          2HG2      ILE  15   7.377  -4.762  -3.390
  105   HG23  ILE  15          3HG2      ILE  15   6.992  -4.472  -5.086
  106   HD11  ILE  15          3HD1      ILE  15   4.832  -4.257  -6.228
  107   HD12  ILE  15          1HD1      ILE  15   3.154  -4.668  -5.875
  108   HD13  ILE  15          2HD1      ILE  15   4.079  -5.636  -7.025
  109    H    CYS  16           HN       CYS  16   3.678  -3.677  -2.581
  110    HA   CYS  16           HA       CYS  16   1.434  -4.849  -1.143
  111    HB2  CYS  16           2HB      CYS  16   1.686  -2.024  -2.163
  112    HB3  CYS  16           1HB      CYS  16   0.643  -2.628  -0.875
  113    H    THR  17           HN       THR  17  -0.560  -5.168  -1.975
  114    HA   THR  17           HA       THR  17  -0.922  -4.653  -4.868
  115    HB   THR  17           HB       THR  17  -2.108  -6.797  -5.047
  116    HG1  THR  17           1HG      THR  17  -1.288  -8.040  -2.906
  117   HG21  THR  17          3HG2      THR  17  -0.061  -8.266  -4.562
  118   HG22  THR  17          1HG2      THR  17   0.711  -6.788  -3.988
  119   HG23  THR  17          2HG2      THR  17   0.170  -6.907  -5.663
  120    H    ILE  18           HN       ILE  18  -3.083  -4.310  -5.550
  121    HA   ILE  18           HA       ILE  18  -4.621  -2.710  -3.925
  122    HB   ILE  18           HB       ILE  18  -4.728  -2.983  -6.451
  123   HG12  ILE  18          2HG1      ILE  18  -7.461  -3.139  -5.208
  124   HG13  ILE  18          1HG1      ILE  18  -6.406  -1.778  -4.837
  125   HG21  ILE  18          1HG2      ILE  18  -5.133  -5.549  -6.060
  126   HG22  ILE  18          2HG2      ILE  18  -5.962  -4.731  -7.384
  127   HG23  ILE  18          3HG2      ILE  18  -6.819  -5.061  -5.878
  128   HD11  ILE  18          3HD1      ILE  18  -8.068  -1.810  -6.961
  129   HD12  ILE  18          1HD1      ILE  18  -6.621  -2.490  -7.698
  130   HD13  ILE  18          2HD1      ILE  18  -6.554  -0.907  -6.924
  131    H    THR  19           HN       THR  19  -6.347  -3.022  -2.577
  132    HA   THR  19           HA       THR  19  -6.745  -5.778  -1.650
  133    HB   THR  19           HB       THR  19  -6.326  -4.494   0.229
  134    HG1  THR  19           1HG      THR  19  -8.168  -5.249   0.933
  135   HG21  THR  19          3HG2      THR  19  -7.615  -2.324  -1.369
  136   HG22  THR  19          1HG2      THR  19  -6.084  -2.319  -0.494
  137   HG23  THR  19          2HG2      THR  19  -7.604  -2.173   0.387
  138    H    LEU  20           HN       LEU  20  -8.969  -6.430  -1.029
  139    HA   LEU  20           HA       LEU  20 -10.724  -6.280  -3.196
  140    HB2  LEU  20           2HB      LEU  20 -10.845  -7.338  -0.427
  141    HB3  LEU  20           1HB      LEU  20 -12.392  -7.023  -1.203
  142    HG   LEU  20           HG       LEU  20 -11.530  -9.363  -1.590
  143   HD11  LEU  20          1HD1      LEU  20 -11.428  -8.369  -4.325
  144   HD12  LEU  20          2HD1      LEU  20 -12.711  -7.585  -3.409
  145   HD13  LEU  20          3HD1      LEU  20 -12.673  -9.341  -3.542
  146   HD21  LEU  20          3HD2      LEU  20  -9.566  -8.281  -3.559
  147   HD22  LEU  20          1HD2      LEU  20  -9.510  -9.774  -2.621
  148   HD23  LEU  20          2HD2      LEU  20  -9.102  -8.238  -1.857
  149    H    SER  21           HN       SER  21 -10.189  -4.102  -0.613
  150    HA   SER  21           HA       SER  21 -12.721  -2.908  -0.351
  151    HB2  SER  21           2HB      SER  21  -9.951  -1.731  -0.055
  152    HB3  SER  21           1HB      SER  21 -11.432  -0.905   0.422
  153    HG   SER  21           HG       SER  21 -11.504  -2.111   2.138
  154    H    ARG  22           HN       ARG  22 -10.024  -2.199  -2.554
  155    HA   ARG  22           HA       ARG  22 -11.432  -0.067  -3.872
  156    HB2  ARG  22           2HB      ARG  22  -8.820  -1.471  -4.270
  157    HB3  ARG  22           1HB      ARG  22  -9.482  -0.548  -5.612
  158    HG2  ARG  22           2HG      ARG  22  -9.768   1.372  -3.874
  159    HG3  ARG  22           1HG      ARG  22  -8.647   0.435  -2.888
  160    HD2  ARG  22           2HD      ARG  22  -7.456   2.108  -4.249
  161    HD3  ARG  22           1HD      ARG  22  -7.003   0.476  -4.729
  162    HE   ARG  22           HE       ARG  22  -9.189   1.516  -6.283
  163   HH11  ARG  22          1HH2      ARG  22  -5.758   1.505  -5.832
  164   HH12  ARG  22          2HH2      ARG  22  -5.401   1.883  -7.485
  165   HH21  ARG  22          1HH1      ARG  22  -8.729   2.011  -8.451
  166   HH22  ARG  22          2HH1      ARG  22  -7.083   2.169  -8.968
  167    H    ILE  23           HN       ILE  23 -11.030  -3.498  -4.333
  168    HA   ILE  23           HA       ILE  23 -11.860  -3.694  -7.010
  169    HB   ILE  23           HB       ILE  23 -12.304  -5.645  -4.751
  170   HG12  ILE  23          2HG1      ILE  23  -9.919  -5.068  -5.078
  171   HG13  ILE  23          1HG1      ILE  23 -10.227  -6.715  -5.618
  172   HG21  ILE  23          1HG2      ILE  23 -13.448  -6.864  -6.264
  173   HG22  ILE  23          2HG2      ILE  23 -11.958  -6.992  -7.194
  174   HG23  ILE  23          3HG2      ILE  23 -13.095  -5.690  -7.533
  175   HD11  ILE  23          3HD1      ILE  23  -9.580  -4.272  -7.231
  176   HD12  ILE  23          1HD1      ILE  23 -10.636  -5.473  -7.959
  177   HD13  ILE  23          2HD1      ILE  23  -9.020  -5.930  -7.443
  178    H    GLU  24           HN       GLU  24 -13.746  -3.793  -4.064
  179    HA   GLU  24           HA       GLU  24 -16.085  -2.885  -5.555
  180    HB2  GLU  24           2HB      GLU  24 -15.999  -5.375  -3.861
  181    HB3  GLU  24           1HB      GLU  24 -17.502  -4.575  -4.324
  182    HG2  GLU  24           2HG      GLU  24 -16.863  -4.809  -6.701
  183    HG3  GLU  24           1HG      GLU  24 -15.405  -5.655  -6.219
  184    H    HIS  25           HN       HIS  25 -17.952  -2.449  -3.944
  185    HA   HIS  25           HA       HIS  25 -18.561  -0.828  -2.375
  186    HB2  HIS  25           2HB      HIS  25 -17.854  -1.773  -0.012
  187    HB3  HIS  25           1HB      HIS  25 -19.033  -2.627  -1.003
  188    HD2  HIS  25           2HD      HIS  25 -15.159  -2.928  -0.189
  189    HE1  HIS  25           1HE      HIS  25 -16.543  -6.643  -1.632
  190    HE2  HIS  25           2HE      HIS  25 -14.544  -5.421  -0.654
  191    HA   PRO  26           HA       PRO  26 -14.134   0.897  -2.210
  192    HB2  PRO  26           2HB      PRO  26 -14.806   3.214  -3.584
  193    HB3  PRO  26           1HB      PRO  26 -14.108   1.765  -4.331
  194    HG2  PRO  26           2HG      PRO  26 -16.946   2.650  -4.207
  195    HG3  PRO  26           1HG      PRO  26 -16.054   1.902  -5.544
  196    HD2  PRO  26           2HD      PRO  26 -17.761   0.475  -4.043
  197    HD3  PRO  26           1HD      PRO  26 -16.263  -0.250  -4.656
  198    H    GLY  27           HN       GLY  27 -17.354   2.167  -1.664
  199    HA2  GLY  27           2HA      GLY  27 -16.693   4.475  -0.190
  200    HA3  GLY  27           1HA      GLY  27 -18.213   3.590  -0.075
  201    H    ASN  28           HN       ASN  28 -17.136   1.087   0.760
  202    HA   ASN  28           HA       ASN  28 -16.750  -0.009   2.744
  203    HB2  ASN  28           2HB      ASN  28 -14.635   2.146   2.933
  204    HB3  ASN  28           1HB      ASN  28 -14.694   0.698   3.938
  205   HD21  ASN  28          1HD2      ASN  28 -13.736   1.940   0.839
  206   HD22  ASN  28          2HD2      ASN  28 -13.222   0.463   0.178
  207    H    TYR  29           HN       TYR  29 -18.848   1.880   2.846
  208    HA   TYR  29           HA       TYR  29 -20.189   2.995   4.344
  209    HB2  TYR  29           2HB      TYR  29 -18.487   1.615   6.433
  210    HB3  TYR  29           1HB      TYR  29 -20.139   2.204   6.617
  211    HD1  TYR  29           2HD      TYR  29 -22.028   1.048   5.560
  212    HD2  TYR  29           1HD      TYR  29 -18.009  -0.414   5.169
  213    HE1  TYR  29           2HE      TYR  29 -22.897  -1.120   4.725
  214    HE2  TYR  29           1HE      TYR  29 -18.876  -2.578   4.332
  215    HH   TYR  29           HH       TYR  29 -21.450  -3.810   4.748
  216    H    ASP  30           HN       ASP  30 -17.548   4.178   3.505
  217    HA   ASP  30           HA       ASP  30 -16.186   5.940   3.996
  218    HB2  ASP  30           2HB      ASP  30 -18.692   6.798   5.450
  219    HB3  ASP  30           1HB      ASP  30 -17.370   7.839   4.953
  220    H    TYR  31           HN       TYR  31 -15.888   3.714   5.763
  221    HA   TYR  31           HA       TYR  31 -14.544   5.038   7.940
  222    HB2  TYR  31           2HB      TYR  31 -17.147   3.657   8.367
  223    HB3  TYR  31           1HB      TYR  31 -15.879   3.386   9.561
  224    HD1  TYR  31           2HD      TYR  31 -14.748   5.410  10.623
  225    HD2  TYR  31           1HD      TYR  31 -18.359   5.695   8.316
  226    HE1  TYR  31           2HE      TYR  31 -15.213   7.632  11.624
  227    HE2  TYR  31           1HE      TYR  31 -18.824   7.916   9.314
  228    HH   TYR  31           HH       TYR  31 -18.085   9.072  11.646
  Start of MODEL   19
    1    H1   PCA   1           HN       PCA   1   7.593  -2.383   5.532
    2    HA   PCA   1           HA       PCA   1   7.648  -2.336   2.907
    3    HB2  PCA   1           2HB      PCA   1   5.257  -3.969   2.636
    4    HB3  PCA   1           1HB      PCA   1   6.904  -4.298   2.011
    5    HG2  PCA   1           1HG      PCA   1   7.252  -5.823   3.663
    6    HG3  PCA   1           2HG      PCA   1   5.593  -5.528   4.273
    7    H    TRP   2           HN       TRP   2   7.049  -0.257   3.232
    8    HA   TRP   2           HA       TRP   2   4.489   0.461   4.217
    9    HB2  TRP   2           2HB      TRP   2   6.432   2.003   4.158
   10    HB3  TRP   2           1HB      TRP   2   6.316   2.045   2.397
   11    HD1  TRP   2           HD       TRP   2   4.544   3.222   5.555
   12    HE1  TRP   2           1HE      TRP   2   2.780   4.989   4.913
   13    HE3  TRP   2           3HE      TRP   2   4.748   2.862   0.467
   14    HZ2  TRP   2           2HZ      TRP   2   1.610   6.104   2.553
   15    HZ3  TRP   2           3HZ      TRP   2   3.300   4.289  -0.955
   16    HH2  TRP   2           HH       TRP   2   1.733   5.906   0.081
   17    H    CYS   3           HN       CYS   3   2.559   0.623   3.245
   18    HA   CYS   3           HA       CYS   3   2.434   0.186   0.318
   19    HB2  CYS   3           2HB      CYS   3   0.469  -0.677   2.454
   20    HB3  CYS   3           1HB      CYS   3   0.243  -0.887   0.719
   21    H    GLN   4           HN       GLN   4   0.800   1.279  -0.840
   22    HA   GLN   4           HA       GLN   4   0.184   3.860   0.309
   23    HB2  GLN   4           2HB      GLN   4  -0.877   3.527  -2.333
   24    HB3  GLN   4           1HB      GLN   4   0.431   4.582  -1.801
   25    HG2  GLN   4           2HG      GLN   4   1.992   2.630  -1.942
   26    HG3  GLN   4           1HG      GLN   4   0.666   1.659  -2.582
   27   HE21  GLN   4          1HE2      GLN   4   1.069   1.425  -4.786
   28   HE22  GLN   4          2HE2      GLN   4   1.485   2.694  -5.831
   29    HA   PRO   5           HA       PRO   5  -4.144   3.335   1.088
   30    HB2  PRO   5           2HB      PRO   5  -4.922   5.261  -1.036
   31    HB3  PRO   5           1HB      PRO   5  -5.237   5.311   0.707
   32    HG2  PRO   5           2HG      PRO   5  -3.466   6.909  -0.479
   33    HG3  PRO   5           1HG      PRO   5  -3.254   6.325   1.176
   34    HD2  PRO   5           2HD      PRO   5  -1.838   5.492  -1.316
   35    HD3  PRO   5           1HD      PRO   5  -1.276   5.537   0.368
   36    H    GLY   6           HN       GLY   6  -5.705   1.938   0.435
   37    HA2  GLY   6           2HA      GLY   6  -7.098   0.725  -0.983
   38    HA3  GLY   6           1HA      GLY   6  -6.362   1.542  -2.356
   39    H    TYR   7           HN       TYR   7  -3.875   0.452  -0.494
   40    HA   TYR   7           HA       TYR   7  -3.736  -2.150  -1.882
   41    HB2  TYR   7           2HB      TYR   7  -1.617  -0.052  -1.551
   42    HB3  TYR   7           1HB      TYR   7  -1.198  -1.727  -1.836
   43    HD1  TYR   7           1HD      TYR   7  -3.461   0.943  -3.207
   44    HD2  TYR   7           2HD      TYR   7  -1.022  -2.499  -4.013
   45    HE1  TYR   7           1HE      TYR   7  -3.905   1.199  -5.634
   46    HE2  TYR   7           2HE      TYR   7  -1.478  -2.254  -6.439
   47    HH   TYR   7           HH       TYR   7  -3.627   0.318  -7.654
   48    H    ALA   8           HN       ALA   8  -2.219  -3.657  -0.854
   49    HA   ALA   8           HA       ALA   8  -1.772  -3.234   2.003
   50    HB1  ALA   8           1HB      ALA   8  -3.043  -5.009   2.756
   51    HB2  ALA   8           2HB      ALA   8  -3.018  -5.831   1.196
   52    HB3  ALA   8           3HB      ALA   8  -4.059  -4.429   1.438
   53    H    TYR   9           HN       TYR   9   0.048  -4.212   2.718
   54    HA   TYR   9           HA       TYR   9   1.995  -5.018   0.981
   55    HB2  TYR   9           2HB      TYR   9   2.531  -4.428   3.274
   56    HB3  TYR   9           1HB      TYR   9   1.650  -5.835   3.859
   57    HD1  TYR   9           2HD      TYR   9   4.060  -5.510   0.973
   58    HD2  TYR   9           1HD      TYR   9   3.210  -7.262   4.807
   59    HE1  TYR   9           2HE      TYR   9   6.089  -6.905   0.784
   60    HE2  TYR   9           1HE      TYR   9   5.248  -8.668   4.610
   61    HH   TYR   9           HH       TYR   9   7.688  -8.065   2.455
   62    H    ASN  10           HN       ASN  10   2.644  -6.878   0.049
   63    HA   ASN  10           HA       ASN  10   0.928  -9.249   0.459
   64    HB2  ASN  10           2HB      ASN  10   1.009  -7.828  -1.794
   65    HB3  ASN  10           1HB      ASN  10   2.382  -8.875  -2.091
   66   HD21  ASN  10          1HD2      ASN  10   1.981 -11.162  -2.368
   67   HD22  ASN  10          2HD2      ASN  10   0.414 -11.794  -2.510
   68    HA   PRO  11           HA       PRO  11   5.238 -10.467   1.679
   69    HB2  PRO  11           2HB      PRO  11   3.917 -12.503   3.302
   70    HB3  PRO  11           1HB      PRO  11   4.963 -11.178   3.824
   71    HG2  PRO  11           2HG      PRO  11   2.275 -11.320   4.280
   72    HG3  PRO  11           1HG      PRO  11   3.216  -9.826   4.266
   73    HD2  PRO  11           2HD      PRO  11   1.336 -10.888   2.226
   74    HD3  PRO  11           1HD      PRO  11   1.784  -9.213   2.590
   75    H    VAL  12           HN       VAL  12   2.827 -11.818  -0.155
   76    HA   VAL  12           HA       VAL  12   4.210 -14.407  -0.477
   77    HB   VAL  12           HB       VAL  12   1.523 -13.581  -1.602
   78   HG11  VAL  12          1HG1      VAL  12   1.854 -16.384  -1.075
   79   HG12  VAL  12          2HG1      VAL  12   3.222 -15.824  -2.032
   80   HG13  VAL  12          3HG1      VAL  12   1.579 -15.585  -2.622
   81   HG21  VAL  12          3HG2      VAL  12   2.158 -15.128   0.932
   82   HG22  VAL  12          1HG2      VAL  12   0.546 -14.833   0.280
   83   HG23  VAL  12          2HG2      VAL  12   1.516 -13.485   0.875
   84    H    LEU  13           HN       LEU  13   3.692 -11.371  -1.927
   85    HA   LEU  13           HA       LEU  13   4.730 -12.353  -4.502
   86    HB2  LEU  13           2HB      LEU  13   2.917 -11.258  -5.263
   87    HB3  LEU  13           1HB      LEU  13   2.733 -10.329  -3.796
   88    HG   LEU  13           HG       LEU  13   4.530  -8.804  -4.505
   89   HD11  LEU  13          1HD1      LEU  13   4.631  -9.582  -7.289
   90   HD12  LEU  13          2HD1      LEU  13   5.147 -10.940  -6.299
   91   HD13  LEU  13          3HD1      LEU  13   5.981  -9.394  -6.172
   92   HD21  LEU  13          3HD2      LEU  13   3.356  -7.829  -6.480
   93   HD22  LEU  13          1HD2      LEU  13   2.293  -8.200  -5.125
   94   HD23  LEU  13          2HD2      LEU  13   2.318  -9.259  -6.530
   95    H    GLY  14           HN       GLY  14   5.075  -9.851  -2.019
   96    HA2  GLY  14           2HA      GLY  14   7.422  -9.386  -1.322
   97    HA3  GLY  14           1HA      GLY  14   7.801  -9.293  -3.034
   98    H    ILE  15           HN       ILE  15   4.830  -7.876  -2.819
   99    HA   ILE  15           HA       ILE  15   5.751  -5.267  -1.875
  100    HB   ILE  15           HB       ILE  15   5.004  -4.143  -3.965
  101   HG12  ILE  15          2HG1      ILE  15   5.264  -6.733  -5.438
  102   HG13  ILE  15          1HG1      ILE  15   3.742  -6.426  -4.617
  103   HG21  ILE  15          1HG2      ILE  15   7.050  -4.538  -5.149
  104   HG22  ILE  15          2HG2      ILE  15   7.170  -6.181  -4.522
  105   HG23  ILE  15          3HG2      ILE  15   7.414  -4.808  -3.444
  106   HD11  ILE  15          3HD1      ILE  15   4.906  -4.244  -6.294
  107   HD12  ILE  15          1HD1      ILE  15   3.217  -4.620  -5.946
  108   HD13  ILE  15          2HD1      ILE  15   4.121  -5.605  -7.098
  109    H    CYS  16           HN       CYS  16   3.719  -3.661  -2.628
  110    HA   CYS  16           HA       CYS  16   1.457  -4.826  -1.208
  111    HB2  CYS  16           2HB      CYS  16   1.740  -2.003  -2.232
  112    HB3  CYS  16           1HB      CYS  16   0.680  -2.602  -0.960
  113    H    THR  17           HN       THR  17  -0.512  -5.098  -2.034
  114    HA   THR  17           HA       THR  17  -0.882  -4.617  -4.930
  115    HB   THR  17           HB       THR  17  -2.067  -6.749  -5.112
  116    HG1  THR  17           1HG      THR  17  -1.284  -7.026  -2.401
  117   HG21  THR  17          3HG2      THR  17   0.709  -6.889  -3.925
  118   HG22  THR  17          1HG2      THR  17   0.285  -6.771  -5.632
  119   HG23  THR  17          2HG2      THR  17  -0.080  -8.243  -4.732
  120    H    ILE  18           HN       ILE  18  -3.074  -4.306  -5.604
  121    HA   ILE  18           HA       ILE  18  -4.569  -2.688  -3.936
  122    HB   ILE  18           HB       ILE  18  -4.664  -2.922  -6.485
  123   HG12  ILE  18          2HG1      ILE  18  -7.432  -2.974  -5.340
  124   HG13  ILE  18          1HG1      ILE  18  -6.342  -1.693  -4.829
  125   HG21  ILE  18          1HG2      ILE  18  -6.809  -4.946  -5.857
  126   HG22  ILE  18          2HG2      ILE  18  -5.149  -5.446  -6.192
  127   HG23  ILE  18          3HG2      ILE  18  -6.072  -4.575  -7.417
  128   HD11  ILE  18          3HD1      ILE  18  -7.053  -2.356  -7.691
  129   HD12  ILE  18          1HD1      ILE  18  -5.934  -1.095  -7.174
  130   HD13  ILE  18          2HD1      ILE  18  -7.641  -0.976  -6.767
  131    H    THR  19           HN       THR  19  -6.065  -3.042  -2.414
  132    HA   THR  19           HA       THR  19  -6.609  -5.804  -1.650
  133    HB   THR  19           HB       THR  19  -6.075  -4.536   0.231
  134    HG1  THR  19           1HG      THR  19  -8.515  -3.893   0.864
  135   HG21  THR  19          3HG2      THR  19  -5.959  -2.322  -0.343
  136   HG22  THR  19          1HG2      THR  19  -7.510  -2.282   0.495
  137   HG23  THR  19          2HG2      THR  19  -7.461  -2.373  -1.266
  138    H    LEU  20           HN       LEU  20  -8.811  -6.464  -1.068
  139    HA   LEU  20           HA       LEU  20 -10.646  -6.088  -3.172
  140    HB2  LEU  20           2HB      LEU  20 -10.651  -7.453  -0.550
  141    HB3  LEU  20           1HB      LEU  20 -12.224  -7.086  -1.268
  142    HG   LEU  20           HG       LEU  20 -11.575  -8.202  -3.347
  143   HD11  LEU  20          1HD1      LEU  20  -9.269  -7.921  -3.613
  144   HD12  LEU  20          2HD1      LEU  20  -9.352  -9.603  -3.092
  145   HD13  LEU  20          3HD1      LEU  20  -8.924  -8.342  -1.936
  146   HD21  LEU  20          3HD2      LEU  20 -11.799  -9.454  -0.772
  147   HD22  LEU  20          1HD2      LEU  20 -10.762 -10.423  -1.815
  148   HD23  LEU  20          2HD2      LEU  20 -12.397 -10.014  -2.331
  149    H    SER  21           HN       SER  21 -10.092  -4.373  -0.245
  150    HA   SER  21           HA       SER  21 -12.541  -3.206   0.299
  151    HB2  SER  21           2HB      SER  21 -10.559  -2.900   1.718
  152    HB3  SER  21           1HB      SER  21  -9.819  -1.904   0.469
  153    HG   SER  21           HG       SER  21 -12.290  -1.388   1.778
  154    H    ARG  22           HN       ARG  22 -10.159  -2.345  -2.150
  155    HA   ARG  22           HA       ARG  22 -11.172   0.123  -2.963
  156    HB2  ARG  22           2HB      ARG  22  -9.027  -0.890  -3.760
  157    HB3  ARG  22           1HB      ARG  22  -9.966  -2.006  -4.749
  158    HG2  ARG  22           2HG      ARG  22 -10.718   0.829  -5.095
  159    HG3  ARG  22           1HG      ARG  22  -9.078   0.447  -5.603
  160    HD2  ARG  22           2HD      ARG  22  -9.931  -1.375  -7.017
  161    HD3  ARG  22           1HD      ARG  22 -11.571  -1.024  -6.498
  162    HE   ARG  22           HE       ARG  22  -9.961   0.551  -8.339
  163   HH11  ARG  22          1HH2      ARG  22 -12.754   0.306  -6.316
  164   HH12  ARG  22          2HH2      ARG  22 -13.634   1.541  -7.149
  165   HH21  ARG  22          1HH1      ARG  22 -11.112   2.169  -9.442
  166   HH22  ARG  22          2HH1      ARG  22 -12.705   2.597  -8.917
  167    H    ILE  23           HN       ILE  23 -12.135  -3.163  -3.878
  168    HA   ILE  23           HA       ILE  23 -13.821  -2.698  -5.983
  169    HB   ILE  23           HB       ILE  23 -14.377  -4.535  -3.652
  170   HG12  ILE  23          2HG1      ILE  23 -12.143  -4.906  -4.558
  171   HG13  ILE  23          1HG1      ILE  23 -13.207  -6.230  -5.021
  172   HG21  ILE  23          1HG2      ILE  23 -15.806  -3.974  -6.096
  173   HG22  ILE  23          2HG2      ILE  23 -16.247  -5.072  -4.783
  174   HG23  ILE  23          3HG2      ILE  23 -15.223  -5.637  -6.105
  175   HD11  ILE  23          3HD1      ILE  23 -12.007  -4.070  -6.713
  176   HD12  ILE  23          1HD1      ILE  23 -13.575  -4.716  -7.190
  177   HD13  ILE  23          2HD1      ILE  23 -12.187  -5.789  -7.054
  178    H    GLU  24           HN       GLU  24 -15.627  -3.445  -3.134
  179    HA   GLU  24           HA       GLU  24 -16.883  -0.811  -3.081
  180    HB2  GLU  24           2HB      GLU  24 -18.380  -3.374  -3.671
  181    HB3  GLU  24           1HB      GLU  24 -19.158  -1.864  -3.201
  182    HG2  GLU  24           2HG      GLU  24 -18.096  -0.744  -5.152
  183    HG3  GLU  24           1HG      GLU  24 -17.409  -2.288  -5.640
  184    H    HIS  25           HN       HIS  25 -15.178  -2.081  -1.177
  185    HA   HIS  25           HA       HIS  25 -17.121  -2.368   1.044
  186    HB2  HIS  25           2HB      HIS  25 -14.634  -4.051   0.683
  187    HB3  HIS  25           1HB      HIS  25 -15.778  -4.153   2.017
  188    HD2  HIS  25           2HD      HIS  25 -15.354  -5.510  -1.571
  189    HE1  HIS  25           1HE      HIS  25 -19.271  -6.503  -0.357
  190    HE2  HIS  25           2HE      HIS  25 -17.500  -6.889  -2.131
  191    HA   PRO  26           HA       PRO  26 -13.615   0.621   1.902
  192    HB2  PRO  26           2HB      PRO  26 -15.056   2.922   2.014
  193    HB3  PRO  26           1HB      PRO  26 -14.398   2.278   0.497
  194    HG2  PRO  26           2HG      PRO  26 -17.174   2.145   1.564
  195    HG3  PRO  26           1HG      PRO  26 -16.609   2.386  -0.098
  196    HD2  PRO  26           2HD      PRO  26 -17.515  -0.034   0.877
  197    HD3  PRO  26           1HD      PRO  26 -16.402   0.138  -0.499
  198    H    GLY  27           HN       GLY  27 -16.704  -0.098   3.258
  199    HA2  GLY  27           2HA      GLY  27 -16.690   1.376   5.636
  200    HA3  GLY  27           1HA      GLY  27 -17.492  -0.172   5.415
  201    H    ASN  28           HN       ASN  28 -15.184  -1.707   4.835
  202    HA   ASN  28           HA       ASN  28 -14.367  -2.445   7.416
  203    HB2  ASN  28           2HB      ASN  28 -13.216  -3.044   4.692
  204    HB3  ASN  28           1HB      ASN  28 -12.581  -3.752   6.176
  205   HD21  ASN  28          1HD2      ASN  28 -13.795  -5.355   4.110
  206   HD22  ASN  28          2HD2      ASN  28 -15.227  -6.015   4.739
  207    H    TYR  29           HN       TYR  29 -12.900  -0.325   5.012
  208    HA   TYR  29           HA       TYR  29 -10.744   0.318   6.936
  209    HB2  TYR  29           2HB      TYR  29 -10.773   0.579   3.921
  210    HB3  TYR  29           1HB      TYR  29  -9.441   1.054   4.978
  211    HD1  TYR  29           1HD      TYR  29 -11.421  -1.812   3.723
  212    HD2  TYR  29           2HD      TYR  29  -7.998  -0.581   6.007
  213    HE1  TYR  29           1HE      TYR  29 -10.586  -4.146   3.727
  214    HE2  TYR  29           2HE      TYR  29  -7.162  -2.917   6.011
  215    HH   TYR  29           HH       TYR  29  -7.621  -5.032   5.489
  216    H    ASP  30           HN       ASP  30 -13.441   1.492   6.940
  217    HA   ASP  30           HA       ASP  30 -12.991   4.213   5.947
  218    HB2  ASP  30           2HB      ASP  30 -15.319   4.609   6.561
  219    HB3  ASP  30           1HB      ASP  30 -15.189   3.150   5.585
  220    H    TYR  31           HN       TYR  31 -11.925   2.636   8.519
  221    HA   TYR  31           HA       TYR  31 -12.674   3.791  10.860
  222    HB2  TYR  31           2HB      TYR  31 -10.909   2.199  10.912
  223    HB3  TYR  31           1HB      TYR  31  -9.896   3.178   9.850
  224    HD1  TYR  31           2HD      TYR  31 -11.529   3.156  13.211
  225    HD2  TYR  31           1HD      TYR  31  -8.429   4.801  10.736
  226    HE1  TYR  31           2HE      TYR  31 -10.562   4.303  15.185
  227    HE2  TYR  31           1HE      TYR  31  -7.462   5.949  12.710
  228    HH   TYR  31           HH       TYR  31  -7.627   6.313  14.887
  Start of MODEL   20
    1    H1   PCA   1           HN       PCA   1   7.325  -2.043   6.298
    2    HA   PCA   1           HA       PCA   1   7.427  -2.407   3.718
    3    HB2  PCA   1           2HB      PCA   1   4.945  -3.863   3.518
    4    HB3  PCA   1           1HB      PCA   1   6.599  -4.455   3.164
    5    HG2  PCA   1           1HG      PCA   1   6.573  -5.685   5.077
    6    HG3  PCA   1           2HG      PCA   1   4.935  -5.070   5.460
    7    H    TRP   2           HN       TRP   2   6.998  -0.224   3.825
    8    HA   TRP   2           HA       TRP   2   4.421   0.776   4.464
    9    HB2  TRP   2           2HB      TRP   2   6.450   2.181   4.454
   10    HB3  TRP   2           1HB      TRP   2   6.555   2.001   2.704
   11    HD1  TRP   2           HD       TRP   2   4.521   3.702   5.436
   12    HE1  TRP   2           1HE      TRP   2   2.993   5.477   4.357
   13    HE3  TRP   2           3HE      TRP   2   5.289   2.643   0.503
   14    HZ2  TRP   2           2HZ      TRP   2   2.202   6.334   1.745
   15    HZ3  TRP   2           3HZ      TRP   2   4.138   3.954  -1.261
   16    HH2  TRP   2           HH       TRP   2   2.596   5.796  -0.645
   17    H    CYS   3           HN       CYS   3   2.599   0.868   3.310
   18    HA   CYS   3           HA       CYS   3   2.745   0.293   0.412
   19    HB2  CYS   3           2HB      CYS   3   0.746  -0.683   2.447
   20    HB3  CYS   3           1HB      CYS   3   0.485  -0.783   0.706
   21    H    GLN   4           HN       GLN   4   1.273   1.344  -0.916
   22    HA   GLN   4           HA       GLN   4   0.502   3.947  -0.105
   23    HB2  GLN   4           2HB      GLN   4  -0.726   3.241  -2.565
   24    HB3  GLN   4           1HB      GLN   4   0.679   4.271  -2.316
   25    HG2  GLN   4           2HG      GLN   4   2.122   2.254  -2.309
   26    HG3  GLN   4           1HG      GLN   4   0.703   1.249  -2.602
   27   HE21  GLN   4          1HE2      GLN   4   1.026   0.559  -4.742
   28   HE22  GLN   4          2HE2      GLN   4   1.264   1.611  -6.052
   29    HA   PRO   5           HA       PRO   5  -3.636   3.295   1.181
   30    HB2  PRO   5           2HB      PRO   5  -4.988   5.311  -0.160
   31    HB3  PRO   5           1HB      PRO   5  -4.043   5.541   1.322
   32    HG2  PRO   5           2HG      PRO   5  -3.330   6.136  -1.491
   33    HG3  PRO   5           1HG      PRO   5  -2.883   6.971   0.001
   34    HD2  PRO   5           2HD      PRO   5  -1.176   5.321  -1.358
   35    HD3  PRO   5           1HD      PRO   5  -1.063   5.597   0.389
   36    H    GLY   6           HN       GLY   6  -5.327   2.046   0.636
   37    HA2  GLY   6           2HA      GLY   6  -6.999   1.110  -0.733
   38    HA3  GLY   6           1HA      GLY   6  -6.220   1.838  -2.137
   39    H    TYR   7           HN       TYR   7  -3.684   0.613  -0.614
   40    HA   TYR   7           HA       TYR   7  -3.910  -2.033  -1.908
   41    HB2  TYR   7           2HB      TYR   7  -1.620  -0.121  -1.679
   42    HB3  TYR   7           1HB      TYR   7  -1.320  -1.833  -1.902
   43    HD1  TYR   7           1HD      TYR   7  -3.532   0.868  -3.300
   44    HD2  TYR   7           2HD      TYR   7  -1.166  -2.628  -4.076
   45    HE1  TYR   7           1HE      TYR   7  -4.010   1.082  -5.724
   46    HE2  TYR   7           2HE      TYR   7  -1.656  -2.425  -6.500
   47    HH   TYR   7           HH       TYR   7  -3.271   0.394  -7.810
   48    H    ALA   8           HN       ALA   8  -2.396  -3.664  -0.942
   49    HA   ALA   8           HA       ALA   8  -2.011  -3.308   1.943
   50    HB1  ALA   8           1HB      ALA   8  -4.222  -4.580   1.182
   51    HB2  ALA   8           2HB      ALA   8  -3.280  -5.121   2.571
   52    HB3  ALA   8           3HB      ALA   8  -3.095  -5.928   1.013
   53    H    TYR   9           HN       TYR   9  -0.145  -4.158   2.655
   54    HA   TYR   9           HA       TYR   9   1.892  -4.906   0.974
   55    HB2  TYR   9           2HB      TYR   9   2.450  -4.280   3.193
   56    HB3  TYR   9           1HB      TYR   9   1.439  -5.553   3.874
   57    HD1  TYR   9           2HD      TYR   9   3.928  -5.679   1.046
   58    HD2  TYR   9           1HD      TYR   9   2.872  -7.021   4.992
   59    HE1  TYR   9           2HE      TYR   9   5.836  -7.230   1.021
   60    HE2  TYR   9           1HE      TYR   9   4.794  -8.583   4.968
   61    HH   TYR   9           HH       TYR   9   7.124  -8.588   2.300
   62    H    ASN  10           HN       ASN  10   2.568  -6.743   0.018
   63    HA   ASN  10           HA       ASN  10   0.981  -9.170   0.522
   64    HB2  ASN  10           2HB      ASN  10   0.970  -7.825  -1.772
   65    HB3  ASN  10           1HB      ASN  10   2.344  -8.871  -2.066
   66   HD21  ASN  10          1HD2      ASN  10   1.956 -11.184  -2.192
   67   HD22  ASN  10          2HD2      ASN  10   0.390 -11.822  -2.300
   68    HA   PRO  11           HA       PRO  11   5.316 -10.359   1.563
   69    HB2  PRO  11           2HB      PRO  11   4.651 -12.269   3.414
   70    HB3  PRO  11           1HB      PRO  11   4.782 -10.547   3.789
   71    HG2  PRO  11           2HG      PRO  11   2.383 -12.205   3.391
   72    HG3  PRO  11           1HG      PRO  11   2.621 -10.809   4.437
   73    HD2  PRO  11           2HD      PRO  11   1.291 -10.780   2.006
   74    HD3  PRO  11           1HD      PRO  11   1.952  -9.345   2.805
   75    H    VAL  12           HN       VAL  12   2.871 -11.814  -0.102
   76    HA   VAL  12           HA       VAL  12   4.285 -14.385  -0.419
   77    HB   VAL  12           HB       VAL  12   1.531 -13.599  -1.405
   78   HG11  VAL  12          1HG1      VAL  12   2.433 -15.405  -2.708
   79   HG12  VAL  12          2HG1      VAL  12   1.327 -16.128  -1.540
   80   HG13  VAL  12          3HG1      VAL  12   3.068 -16.204  -1.270
   81   HG21  VAL  12          3HG2      VAL  12   1.606 -13.587   1.049
   82   HG22  VAL  12          1HG2      VAL  12   2.396 -15.165   1.049
   83   HG23  VAL  12          2HG2      VAL  12   0.732 -15.013   0.485
   84    H    LEU  13           HN       LEU  13   3.694 -11.376  -1.893
   85    HA   LEU  13           HA       LEU  13   4.630 -12.400  -4.488
   86    HB2  LEU  13           2HB      LEU  13   2.767 -11.322  -5.203
   87    HB3  LEU  13           1HB      LEU  13   2.640 -10.360  -3.745
   88    HG   LEU  13           HG       LEU  13   4.420  -8.863  -4.549
   89   HD11  LEU  13          1HD1      LEU  13   5.797  -9.485  -6.259
   90   HD12  LEU  13          2HD1      LEU  13   4.411  -9.705  -7.326
   91   HD13  LEU  13          3HD1      LEU  13   4.960 -11.031  -6.314
   92   HD21  LEU  13          3HD2      LEU  13   2.157  -8.259  -5.097
   93   HD22  LEU  13          1HD2      LEU  13   2.150  -9.321  -6.502
   94   HD23  LEU  13          2HD2      LEU  13   3.184  -7.892  -6.478
   95    H    GLY  14           HN       GLY  14   5.021  -9.810  -2.088
   96    HA2  GLY  14           2HA      GLY  14   7.374  -9.322  -1.471
   97    HA3  GLY  14           1HA      GLY  14   7.721  -9.285  -3.192
   98    H    ILE  15           HN       ILE  15   4.719  -7.869  -2.764
   99    HA   ILE  15           HA       ILE  15   5.654  -5.236  -1.980
  100    HB   ILE  15           HB       ILE  15   4.841  -4.182  -4.089
  101   HG12  ILE  15          2HG1      ILE  15   5.112  -6.814  -5.489
  102   HG13  ILE  15          1HG1      ILE  15   3.607  -6.508  -4.637
  103   HG21  ILE  15          1HG2      ILE  15   7.029  -6.191  -4.662
  104   HG22  ILE  15          2HG2      ILE  15   7.279  -4.804  -3.603
  105   HG23  ILE  15          3HG2      ILE  15   6.866  -4.553  -5.298
  106   HD11  ILE  15          3HD1      ILE  15   3.921  -5.753  -7.156
  107   HD12  ILE  15          1HD1      ILE  15   4.684  -4.354  -6.400
  108   HD13  ILE  15          2HD1      ILE  15   3.012  -4.764  -6.013
  109    H    CYS  16           HN       CYS  16   3.624  -3.668  -2.670
  110    HA   CYS  16           HA       CYS  16   1.384  -4.813  -1.212
  111    HB2  CYS  16           2HB      CYS  16   1.484  -2.029  -2.327
  112    HB3  CYS  16           1HB      CYS  16   0.635  -2.616  -0.898
  113    H    THR  17           HN       THR  17  -0.596  -5.204  -2.002
  114    HA   THR  17           HA       THR  17  -1.028  -4.766  -4.900
  115    HB   THR  17           HB       THR  17  -2.218  -6.905  -4.993
  116    HG1  THR  17           1HG      THR  17  -1.319  -7.993  -2.739
  117   HG21  THR  17          3HG2      THR  17  -0.195  -8.380  -4.519
  118   HG22  THR  17          1HG2      THR  17   0.600  -6.925  -3.919
  119   HG23  THR  17          2HG2      THR  17   0.079  -7.014  -5.601
  120    H    ILE  18           HN       ILE  18  -3.205  -4.442  -5.546
  121    HA   ILE  18           HA       ILE  18  -4.706  -2.814  -3.869
  122    HB   ILE  18           HB       ILE  18  -4.789  -3.089  -6.441
  123   HG12  ILE  18          2HG1      ILE  18  -7.489  -2.935  -5.108
  124   HG13  ILE  18          1HG1      ILE  18  -6.296  -1.662  -4.885
  125   HG21  ILE  18          1HG2      ILE  18  -7.028  -4.980  -5.731
  126   HG22  ILE  18          2HG2      ILE  18  -5.406  -5.568  -6.119
  127   HG23  ILE  18          3HG2      ILE  18  -6.325  -4.659  -7.318
  128   HD11  ILE  18          3HD1      ILE  18  -6.515  -0.891  -6.995
  129   HD12  ILE  18          1HD1      ILE  18  -8.075  -1.711  -6.933
  130   HD13  ILE  18          2HD1      ILE  18  -6.690  -2.510  -7.674
  131    H    THR  19           HN       THR  19  -6.241  -3.161  -2.386
  132    HA   THR  19           HA       THR  19  -6.726  -5.903  -1.549
  133    HB   THR  19           HB       THR  19  -6.405  -4.560   0.317
  134    HG1  THR  19           1HG      THR  19  -8.967  -3.914   0.586
  135   HG21  THR  19          3HG2      THR  19  -7.877  -2.316   0.363
  136   HG22  THR  19          1HG2      THR  19  -7.685  -2.484  -1.382
  137   HG23  THR  19          2HG2      THR  19  -6.262  -2.375  -0.341
  138    H    LEU  20           HN       LEU  20  -8.796  -6.826  -1.296
  139    HA   LEU  20           HA       LEU  20 -10.536  -6.552  -3.458
  140    HB2  LEU  20           2HB      LEU  20 -10.590  -7.949  -0.860
  141    HB3  LEU  20           1HB      LEU  20 -12.152  -7.673  -1.633
  142    HG   LEU  20           HG       LEU  20 -11.322  -8.704  -3.713
  143   HD11  LEU  20          1HD1      LEU  20  -9.056 -10.030  -3.259
  144   HD12  LEU  20          2HD1      LEU  20  -8.771  -8.694  -2.143
  145   HD13  LEU  20          3HD1      LEU  20  -9.031  -8.372  -3.857
  146   HD21  LEU  20          3HD2      LEU  20 -11.590 -10.032  -1.151
  147   HD22  LEU  20          1HD2      LEU  20 -10.554 -10.944  -2.244
  148   HD23  LEU  20          2HD2      LEU  20 -12.194 -10.519  -2.733
  149    H    SER  21           HN       SER  21 -10.400  -4.877  -0.412
  150    HA   SER  21           HA       SER  21 -13.023  -3.905  -0.227
  151    HB2  SER  21           2HB      SER  21 -10.414  -2.600   0.583
  152    HB3  SER  21           1HB      SER  21 -12.009  -2.040   1.077
  153    HG   SER  21           HG       SER  21 -10.593  -3.785   2.309
  154    H    ARG  22           HN       ARG  22 -10.190  -2.589  -1.922
  155    HA   ARG  22           HA       ARG  22 -11.550  -0.278  -2.913
  156    HB2  ARG  22           2HB      ARG  22  -9.059  -0.464  -2.673
  157    HB3  ARG  22           1HB      ARG  22  -9.060  -1.581  -4.043
  158    HG2  ARG  22           2HG      ARG  22  -9.991   0.117  -5.504
  159    HG3  ARG  22           1HG      ARG  22 -10.224   1.224  -4.151
  160    HD2  ARG  22           2HD      ARG  22  -7.759   1.218  -3.780
  161    HD3  ARG  22           1HD      ARG  22  -7.577   0.215  -5.210
  162    HE   ARG  22           HE       ARG  22  -9.025   2.444  -6.014
  163   HH11  ARG  22          1HH2      ARG  22  -5.944   1.703  -4.622
  164   HH12  ARG  22          2HH2      ARG  22  -5.139   3.058  -5.340
  165   HH21  ARG  22          1HH1      ARG  22  -7.975   4.224  -6.959
  166   HH22  ARG  22          2HH1      ARG  22  -6.289   4.485  -6.662
  167    H    ILE  23           HN       ILE  23 -10.959  -3.536  -4.091
  168    HA   ILE  23           HA       ILE  23 -11.728  -3.168  -6.762
  169    HB   ILE  23           HB       ILE  23 -12.014  -5.588  -4.987
  170   HG12  ILE  23          2HG1      ILE  23  -9.689  -4.781  -5.265
  171   HG13  ILE  23          1HG1      ILE  23  -9.921  -6.315  -6.095
  172   HG21  ILE  23          1HG2      ILE  23 -12.830  -5.099  -7.757
  173   HG22  ILE  23          2HG2      ILE  23 -13.249  -6.442  -6.687
  174   HG23  ILE  23          3HG2      ILE  23 -11.736  -6.469  -7.596
  175   HD11  ILE  23          3HD1      ILE  23  -8.863  -5.157  -7.793
  176   HD12  ILE  23          1HD1      ILE  23  -9.440  -3.592  -7.228
  177   HD13  ILE  23          2HD1      ILE  23 -10.508  -4.647  -8.138
  178    H    GLU  24           HN       GLU  24 -13.672  -4.161  -4.016
  179    HA   GLU  24           HA       GLU  24 -16.011  -2.882  -5.136
  180    HB2  GLU  24           2HB      GLU  24 -15.863  -5.895  -4.879
  181    HB3  GLU  24           1HB      GLU  24 -17.386  -5.017  -4.992
  182    HG2  GLU  24           2HG      GLU  24 -16.440  -3.966  -7.137
  183    HG3  GLU  24           1HG      GLU  24 -15.186  -5.198  -7.054
  184    H    HIS  25           HN       HIS  25 -17.976  -4.016  -3.620
  185    HA   HIS  25           HA       HIS  25 -18.935  -3.900  -1.549
  186    HB2  HIS  25           2HB      HIS  25 -16.420  -4.493  -0.106
  187    HB3  HIS  25           1HB      HIS  25 -17.990  -5.282  -0.019
  188    HD2  HIS  25           2HD      HIS  25 -14.619  -5.652  -1.873
  189    HE1  HIS  25           1HE      HIS  25 -17.192  -8.613  -3.416
  190    HE2  HIS  25           2HE      HIS  25 -14.797  -7.783  -3.375
  191    HA   PRO  26           HA       PRO  26 -16.691   0.297  -1.029
  192    HB2  PRO  26           2HB      PRO  26 -19.414   1.292  -1.719
  193    HB3  PRO  26           1HB      PRO  26 -17.830   1.855  -2.282
  194    HG2  PRO  26           2HG      PRO  26 -19.428   0.473  -3.875
  195    HG3  PRO  26           1HG      PRO  26 -17.671   0.230  -3.899
  196    HD2  PRO  26           2HD      PRO  26 -19.795  -1.487  -2.654
  197    HD3  PRO  26           1HD      PRO  26 -18.325  -1.943  -3.531
  198    H    GLY  27           HN       GLY  27 -19.979  -0.740  -0.160
  199    HA2  GLY  27           2HA      GLY  27 -20.262   0.954   2.098
  200    HA3  GLY  27           1HA      GLY  27 -21.225  -0.478   1.758
  201    H    ASN  28           HN       ASN  28 -19.093  -2.381   1.717
  202    HA   ASN  28           HA       ASN  28 -18.946  -3.049   4.440
  203    HB2  ASN  28           2HB      ASN  28 -17.392  -3.994   2.041
  204    HB3  ASN  28           1HB      ASN  28 -17.169  -4.685   3.647
  205   HD21  ASN  28          1HD2      ASN  28 -18.168  -6.289   1.518
  206   HD22  ASN  28          2HD2      ASN  28 -19.791  -6.668   1.836
  207    H    TYR  29           HN       TYR  29 -16.631  -1.448   2.303
  208    HA   TYR  29           HA       TYR  29 -14.906  -0.943   4.665
  209    HB2  TYR  29           2HB      TYR  29 -14.170  -0.921   1.730
  210    HB3  TYR  29           1HB      TYR  29 -13.069  -0.645   3.081
  211    HD1  TYR  29           2HD      TYR  29 -15.102  -3.137   1.299
  212    HD2  TYR  29           1HD      TYR  29 -12.388  -2.471   4.558
  213    HE1  TYR  29           2HE      TYR  29 -14.791  -5.581   1.532
  214    HE2  TYR  29           1HE      TYR  29 -12.067  -4.919   4.790
  215    HH   TYR  29           HH       TYR  29 -13.862  -7.094   3.950
  216    H    ASP  30           HN       ASP  30 -17.312   0.525   3.235
  217    HA   ASP  30           HA       ASP  30 -17.929   2.697   2.785
  218    HB2  ASP  30           2HB      ASP  30 -17.322   2.763   5.234
  219    HB3  ASP  30           1HB      ASP  30 -15.742   3.384   4.755
  220    H    TYR  31           HN       TYR  31 -16.198   1.705   0.870
  221    HA   TYR  31           HA       TYR  31 -14.311   3.915   0.352
  222    HB2  TYR  31           2HB      TYR  31 -13.296   1.697   0.308
  223    HB3  TYR  31           1HB      TYR  31 -14.489   1.153  -0.872
  224    HD1  TYR  31           1HD      TYR  31 -11.829   3.727  -0.333
  225    HD2  TYR  31           2HD      TYR  31 -14.110   1.455  -3.176
  226    HE1  TYR  31           1HE      TYR  31 -10.412   4.603  -2.169
  227    HE2  TYR  31           2HE      TYR  31 -12.692   2.332  -5.013
  228    HH   TYR  31           HH       TYR  31 -11.088   3.780  -5.564