*HEADER    DNA BINDING PROTEIN                     23-JAN-03   1J3C              
*TITLE     SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF THE HMGB2              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HIGH MOBILITY GROUP PROTEIN 2;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C-TERMINAL DOMAIN, B DOMAIN;                               
*COMPND   5 SYNONYM: HIGH MOBILITY GROUP B2, HMG2, HMGB2;                        
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SUS SCROFA;                                     
*SOURCE   3 ORGANISM_COMMON: PIG;                                                
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: PET;                                       
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET-22B                                   
*KEYWDS    HMG-BOX                                                               
*EXPDTA    NMR, 30 STRUCTURES                                                    
*AUTHOR    J.KURITA, H.SHIMAHARA, M.YOSHIDA, S.TATE                              
*REVDAT   1   25-MAY-04 1J3C    0                                                

!!This file contains restraint lists for NOEs, dihedral angles and dipolar coupling constants.
!NOE restraints
! M1
assign (resi    1  and name HA   ) (resi    1  and name HB#  )  2.3  1.6  1.6 !        M1     
assign (resi    1  and name HA   ) (resi    1  and name HG#  )  2.8  1.9  1.9 !        M1     
assign (resi    1  and name HA   ) (resi    2  and name HG#  )  2.8  3.8  4.2 !        K2     
assign (resi    1  and name HB#  ) (resi    1  and name HG#  )  2.3  2.7  2.7 ! M1     M1     
assign (resi    1  and name HB#  ) (resi    3  and name HB#  )  2.6  2.9  2.9 ! M1     K3     


! K2
assign (resi    2  and name HA   ) (resi    2  and name HB#  )  2.3  1.6  1.6 !        K2     
assign (resi    2  and name HA   ) (resi    2  and name HG#  )  2.4  1.8  1.8 !        K2     
assign (resi    2  and name HA   ) (resi    2  and name HD#  )  2.7  1.9  1.9 !        K2     
assign (resi    2  and name HA   ) (resi    2  and name HE#  )  3.5  2.5  2.5 !        K2     
assign (resi    2  and name HA   ) (resi    3  and name HB#  )  2.9  3.9  4.1 !        K3     
assign (resi    2  and name HA   ) (resi    3  and name HN   )  3.4  1.5  1.5
assign (resi    2  and name HB#  ) (resi    2  and name HE#  )  3.0  3.1  3.1 ! K2     K2     
assign (resi    2  and name HB#  ) (resi    3  and name HA   )  2.2  3.2  4.8 ! K2     
assign (resi    2  and name HB#  ) (resi    3  and name HN   )  3.2  2.3  2.3 ! K2     
assign (resi    2  and name HD#  ) (resi    2  and name HE#  )  1.7  2.4  2.5 ! K2     K2     


! K3
assign (resi    3  and name HA   ) (resi    3  and name HB#  )  2.2  1.6  1.6 !        K3     
assign (resi    3  and name HA   ) (resi    3  and name HG#  )  2.5  1.8  1.8 !        K3     
assign (resi    3  and name HA   ) (resi    3  and name HE#  )  3.2  2.3  2.3 !        K3     
assign (resi    3  and name HA   ) (resi    3  and name HN   )  2.2  0.6  0.6
assign (resi    3  and name HB#  ) (resi    3  and name HN   )  2.5  1.8  1.8 ! K3     
assign (resi    3  and name HG#  ) (resi    3  and name HN   )  3.4  2.4  2.4 ! K3     
assign (resi    3  and name HN   ) (resi    4  and name HG#  )  3.1  2.2  2.2 !        K4     


! K4
assign (resi    4  and name HA   ) (resi    4  and name HN   )  2.2  0.6  0.6
assign (resi    4  and name HB#  ) (resi    4  and name HN   )  2.8  2.0  2.0 ! K4     
assign (resi    4  and name HB#  ) (resi    5  and name HN   )  2.7  1.9  1.9 ! K4     
assign (resi    4  and name HB#  ) (resi   10  and name HN   )  3.1  4.1  3.9 ! K4     
assign (resi    4  and name HG#  ) (resi    5  and name HN   )  3.5  2.5  2.5 ! K4     
assign (resi    4  and name HE#  ) (resi    6  and name HA   )  2.8  3.8  4.2 ! K4     
assign (resi    4  and name HE#  ) (resi    8  and name HB#  )  2.7  3.4  3.4 ! K4     A8     
assign (resi    4  and name HE#  ) (resi   73  and name HD1# )  2.6  5.1  5.9 ! K4     I73     
assign (resi    4  and name HN   ) (resi    5  and name HB2  )  2.2  2.2  3.8


! D5
assign (resi    5  and name HA   ) (resi    5  and name HB1  )  3.0  1.1  1.1
assign (resi    5  and name HA   ) (resi    5  and name HB2  )  2.6  0.8  0.8
assign (resi    5  and name HA   ) (resi    5  and name HN   )  2.7  0.9  0.9
assign (resi    5  and name HA   ) (resi    6  and name HG1  )  4.2  2.2  1.8
assign (resi    5  and name HA   ) (resi    6  and name HD#  )  2.4  1.7  1.7 !        P6     
assign (resi    5  and name HA   ) (resi    7  and name HN   )  3.8  1.8  1.8
assign (resi    5  and name HB1  ) (resi    5  and name HB2  )  2.0  0.5  0.5
assign (resi    5  and name HB1  ) (resi    5  and name HN   )  3.2  1.3  1.3
assign (resi    5  and name HB1  ) (resi    7  and name HN   )  3.7  1.7  1.7
assign (resi    5  and name HB1  ) (resi    8  and name HB#  )  2.8  2.5  2.5 !        A8     
assign (resi    5  and name HB2  ) (resi    5  and name HN   )  3.1  1.2  1.2
assign (resi    5  and name HB2  ) (resi    7  and name HN   )  3.1  3.1  2.9
assign (resi    5  and name HB2  ) (resi    8  and name HB#  )  3.0  2.6  2.6 !        A8     
assign (resi    5  and name HN   ) (resi    6  and name HA   )  2.5  2.5  3.5
assign (resi    5  and name HN   ) (resi    6  and name HD#  )  4.2  3.2  2.8 !        P6     
assign (resi    5  and name HN   ) (resi    8  and name HB#  )  3.5  3.1  3.1 !        A8     
assign (resi    5  and name HN   ) (resi   73  and name HG1# )  3.9  4.9  3.1 !        I73     


! P6
assign (resi    6  and name HA   ) (resi    6  and name HB1  )  2.6  0.8  0.8
assign (resi    6  and name HA   ) (resi    6  and name HB2  )  2.9  1.1  1.1
assign (resi    6  and name HA   ) (resi    6  and name HG1  )  3.3  1.4  1.4
assign (resi    6  and name HA   ) (resi    6  and name HG2  )  3.2  1.3  1.3
assign (resi    6  and name HB1  ) (resi    6  and name HB2  )  1.8  0.4  0.4
assign (resi    6  and name HB1  ) (resi    6  and name HG1  )  2.1  0.6  0.6
assign (resi    6  and name HB1  ) (resi    6  and name HG2  )  3.1  1.2  1.2
assign (resi    6  and name HB1  ) (resi    6  and name HD#  )  3.3  2.4  2.4 !        P6     
assign (resi    6  and name HB1  ) (resi    7  and name HA   )  3.1  3.1  2.9
assign (resi    6  and name HB1  ) (resi    7  and name HN   )  4.6  2.6  1.4
assign (resi    6  and name HB2  ) (resi    6  and name HG2  )  2.5  0.8  0.8
assign (resi    6  and name HB2  ) (resi    6  and name HD#  )  3.5  2.5  2.5 !        P6     
assign (resi    6  and name HB2  ) (resi    7  and name HN   )  2.7  0.9  0.9
assign (resi    6  and name HG1  ) (resi    6  and name HD#  )  2.7  1.9  1.9 !        P6     
assign (resi    6  and name HG1  ) (resi    7  and name HN   )  3.6  1.6  1.6
assign (resi    6  and name HG2  ) (resi    6  and name HD#  )  2.7  1.9  1.9 !        P6     
assign (resi    6  and name HD#  ) (resi    7  and name HN   )  2.9  2.1  2.1 ! P6     


! N7
assign (resi    7  and name HA   ) (resi    7  and name HB1  )  2.6  0.8  0.8
assign (resi    7  and name HA   ) (resi    7  and name HB2  )  2.8  1.0  1.0
assign (resi    7  and name HA   ) (resi    7  and name HN   )  2.8  1.0  1.0
assign (resi    7  and name HA   ) (resi    8  and name HN   )  2.7  0.9  0.9
assign (resi    7  and name HB1  ) (resi    8  and name HN   )  3.3  1.3  1.3
assign (resi    7  and name HB2  ) (resi    7  and name HN   )  2.5  2.5  3.5
assign (resi    7  and name HD21 ) (resi    7  and name HN   )  3.4  1.5  1.5
assign (resi    7  and name HN   ) (resi    8  and name HB#  )  4.1  3.6  3.4 !        A8     
assign (resi    7  and name HN   ) (resi    8  and name HN   )  2.5  0.8  0.8


! A8
assign (resi    8  and name HA   ) (resi    8  and name HB#  )  2.3  2.1  2.1 !        A8     
assign (resi    8  and name HA   ) (resi    8  and name HN   )  2.8  1.0  1.0
assign (resi    8  and name HA   ) (resi    9  and name HD1  )  2.6  0.8  0.8
assign (resi    8  and name HA   ) (resi    9  and name HD2  )  2.6  0.9  0.9
assign (resi    8  and name HA   ) (resi   73  and name HD1# )  3.5  3.0  3.0 !        I73     
assign (resi    8  and name HA   ) (resi   76  and name HD#  )  3.3  3.4  3.4 !        Y76     
assign (resi    8  and name HA   ) (resi   76  and name HE#  )  3.1  4.2  4.2 !        Y76     
assign (resi    8  and name HB#  ) (resi    8  and name HN   )  2.3  2.2  2.2 ! A8     
assign (resi    8  and name HB#  ) (resi    9  and name HA   )  3.5  3.0  3.0 ! A8     
assign (resi    8  and name HB#  ) (resi    9  and name HG2  )  3.3  2.8  2.8 ! A8     
assign (resi    8  and name HB#  ) (resi    9  and name HD1  )  3.5  3.0  3.0 ! A8     
assign (resi    8  and name HB#  ) (resi    9  and name HD2  )  2.6  2.3  2.3 ! A8     
assign (resi    8  and name HB#  ) (resi   10  and name HB1  )  3.0  4.5  4.5 ! A8     
assign (resi    8  and name HB#  ) (resi   76  and name HD#  )  3.1  4.7  4.7 ! A8     Y76     
assign (resi    8  and name HB#  ) (resi   76  and name HE#  )  2.7  5.4  5.4 ! A8     Y76     
assign (resi    8  and name HN   ) (resi    9  and name HD1  )  4.9  3.0  1.1
assign (resi    8  and name HN   ) (resi    9  and name HD2  )  4.9  3.0  1.1
assign (resi    8  and name HN   ) (resi   76  and name HE#  )  4.0  5.0  5.0 !        Y76     


! P9
assign (resi    9  and name HA   ) (resi    9  and name HB1  )  2.9  1.0  1.0
assign (resi    9  and name HA   ) (resi    9  and name HB2  )  3.2  1.2  1.2
assign (resi    9  and name HA   ) (resi    9  and name HG1  )  3.8  1.8  1.8
assign (resi    9  and name HA   ) (resi   10  and name HB2  )  2.9  2.9  3.1
assign (resi    9  and name HA   ) (resi   10  and name HN   )  2.2  0.6  0.6
assign (resi    9  and name HA   ) (resi   69  and name HE#  )  3.0  6.0  6.0 !        Y69     
assign (resi    9  and name HA   ) (resi   73  and name HD1# )  3.6  5.1  3.9 !        I73     
assign (resi    9  and name HB1  ) (resi    9  and name HB2  )  2.2  0.6  0.6
assign (resi    9  and name HB1  ) (resi   10  and name HN   )  3.7  1.7  1.7
assign (resi    9  and name HB1  ) (resi   69  and name HE#  )  4.3  5.3  4.7 !        Y69     
assign (resi    9  and name HB2  ) (resi   10  and name HN   )  3.0  1.1  1.1
assign (resi    9  and name HB2  ) (resi   69  and name HD#  )  3.0  3.1  3.1 !        Y69     
assign (resi    9  and name HB2  ) (resi   69  and name HE#  )  3.9  4.9  4.9 !        Y69     
assign (resi    9  and name HB2  ) (resi   73  and name HD1# )  3.5  3.0  3.0 !        I73     
assign (resi    9  and name HG1  ) (resi   70  and name HN   )  4.4  2.5  1.6
assign (resi    9  and name HG1  ) (resi   73  and name HB   )  2.6  0.8  0.8
assign (resi    9  and name HG1  ) (resi   73  and name HG2# )  3.4  3.0  3.0 !        I73     
assign (resi    9  and name HG1  ) (resi   73  and name HD1# )  2.9  2.6  2.6 !        I73     
assign (resi    9  and name HG1  ) (resi   76  and name HB2  )  2.3  2.3  3.7
assign (resi    9  and name HG2  ) (resi   69  and name HE#  )  3.6  4.6  4.6 !        Y69     
assign (resi    9  and name HG2  ) (resi   69  and name HN   )  4.6  2.6  1.4
assign (resi    9  and name HG2  ) (resi   72  and name HN   )  4.1  2.1  1.9
assign (resi    9  and name HG2  ) (resi   73  and name HG2# )  3.4  2.9  2.9 !        I73     
assign (resi    9  and name HG2  ) (resi   73  and name HD1# )  2.5  2.3  2.3 !        I73     
assign (resi    9  and name HG2  ) (resi   76  and name HB2  )  2.3  2.3  3.7
assign (resi    9  and name HD1  ) (resi   76  and name HE#  )  3.0  6.0  6.0 !        Y76     
assign (resi    9  and name HD2  ) (resi   73  and name HD1# )  2.4  2.2  2.2 !        I73     


! K10
assign (resi   10  and name HA   ) (resi   10  and name HB1  )  2.6  0.9  0.9
assign (resi   10  and name HA   ) (resi   10  and name HN   )  2.2  0.6  0.6
assign (resi   10  and name HA   ) (resi   11  and name HN   )  2.2  0.6  0.6
assign (resi   10  and name HA   ) (resi   69  and name HE#  )  3.4  4.4  4.4 !        Y69    
assign (resi   10  and name HB1  ) (resi   10  and name HN   )  2.8  1.0  1.0
assign (resi   10  and name HB1  ) (resi   11  and name HN   )  3.4  1.5  1.5
assign (resi   10  and name HB2  ) (resi   11  and name HB#  )  2.7  3.7  4.3 !        R11    
assign (resi   10  and name HB2  ) (resi   11  and name HN   )  3.4  1.4  1.4
assign (resi   10  and name HG#  ) (resi   10  and name HD#  )  2.1  2.6  2.6 ! K10    K10    
assign (resi   10  and name HG#  ) (resi   10  and name HN   )  3.4  2.5  2.5 ! K10    
assign (resi   10  and name HG#  ) (resi   11  and name HD#  )  2.4  2.7  2.7 ! K10    R11    
assign (resi   10  and name HG#  ) (resi   11  and name HN   )  2.5  1.8  1.8 ! K10    
assign (resi   10  and name HD#  ) (resi   10  and name HN   )  3.1  4.1  3.9 ! K10    
assign (resi   10  and name HD#  ) (resi   17  and name HZ   )  3.1  4.1  3.9 ! K10    
assign (resi   10  and name HN   ) (resi   11  and name HN   )  3.9  1.9  1.9


! R11
assign (resi   11  and name HA   ) (resi   11  and name HB#  )  3.0  2.1  2.1 !        R11    
assign (resi   11  and name HA   ) (resi   11  and name HN   )  2.9  1.0  1.0
assign (resi   11  and name HA   ) (resi   69  and name HD#  )  3.3  3.4  3.4 !        Y69    
assign (resi   11  and name HA   ) (resi   69  and name HE#  )  3.3  4.4  4.4 !        Y69    
assign (resi   11  and name HB#  ) (resi   11  and name HD#  )  2.8  3.0  3.0 ! R11    R11    
assign (resi   11  and name HB#  ) (resi   11  and name HN   )  2.6  1.8  1.8 ! R11    
assign (resi   11  and name HB#  ) (resi   13  and name HB#  )  2.8  4.8  5.2 ! R11    P13    
assign (resi   11  and name HB#  ) (resi   69  and name HD#  )  2.7  5.7  6.3 ! R11    Y69    
assign (resi   11  and name HG#  ) (resi   11  and name HD#  )  2.3  2.6  2.6 ! R11    R11    
assign (resi   11  and name HG#  ) (resi   12  and name HD2  )  3.4  2.4  2.4 ! R11    
assign (resi   11  and name HG#  ) (resi   69  and name HD#  )  2.8  5.8  6.2 ! R11    Y69    
assign (resi   11  and name HD#  ) (resi   11  and name HN   )  3.7  2.8  2.8 ! R11    
assign (resi   11  and name HN   ) (resi   12  and name HD1  )  4.2  2.2  1.8
assign (resi   11  and name HN   ) (resi   12  and name HD2  )  4.8  2.8  1.2
assign (resi   11  and name HN   ) (resi   69  and name HE#  )  3.8  4.8  4.8 !        Y69    


! P12
assign (resi   12  and name HA   ) (resi   12  and name HB1  )  2.5  0.8  0.8
assign (resi   12  and name HA   ) (resi   13  and name HG#  )  4.2  3.2  2.8 !        P13    
assign (resi   12  and name HB1  ) (resi   13  and name HD2  )  3.4  1.4  1.4
assign (resi   12  and name HB1  ) (resi   69  and name HD#  )  3.1  3.2  3.2 !        Y69    
assign (resi   12  and name HG1  ) (resi   12  and name HD1  )  2.7  0.9  0.9
assign (resi   12  and name HG2  ) (resi   13  and name HD1  )  3.6  3.6  2.4
assign (resi   12  and name HD1  ) (resi   69  and name HE#  )  3.1  4.2  4.2 !        Y69    


! P13
assign (resi   13  and name HA   ) (resi   13  and name HB#  )  2.2  1.6  1.6 !        P13    
assign (resi   13  and name HA   ) (resi   14  and name HN   )  2.4  0.7  0.7
assign (resi   13  and name HA   ) (resi   17  and name HD#  )  3.0  3.1  3.1 !        F17    
assign (resi   13  and name HB#  ) (resi   13  and name HD1  )  3.1  2.2  2.2 ! P13    
assign (resi   13  and name HB#  ) (resi   13  and name HD2  )  3.5  2.6  2.6 ! P13    
assign (resi   13  and name HB#  ) (resi   17  and name HD#  )  2.7  3.9  3.9 ! P13    F17    
assign (resi   13  and name HB#  ) (resi   18  and name HG   )  3.2  2.3  2.3 ! P13    
assign (resi   13  and name HB#  ) (resi   18  and name HD2# )  2.2  3.1  3.1 ! P13    L18    
assign (resi   13  and name HB#  ) (resi   61  and name HD#  )  2.7  4.7  5.3 ! P13    K61    
assign (resi   13  and name HG#  ) (resi   13  and name HD2  )  2.9  2.0  2.0 ! P13    
assign (resi   13  and name HG#  ) (resi   14  and name HN   )  3.5  2.5  2.5 ! P13    
assign (resi   13  and name HG#  ) (resi   62  and name HB#  )  2.5  3.3  3.3 ! P13    A62    
assign (resi   13  and name HG#  ) (resi   65  and name HD1# )  2.5  3.3  3.3 ! P13    L65    
assign (resi   13  and name HG#  ) (resi   65  and name HD2# )  3.0  3.6  3.6 ! P13    L65    
assign (resi   13  and name HD1  ) (resi   13  and name HD2  )  2.5  0.8  0.8
assign (resi   13  and name HD1  ) (resi   62  and name HB#  )  4.2  3.7  3.3 !        A62    
assign (resi   13  and name HD1  ) (resi   65  and name HD2# )  3.1  4.6  4.4 !        L65    
assign (resi   13  and name HD2  ) (resi   65  and name HD1# )  3.9  3.4  3.4 !        L65    


! S14
assign (resi   14  and name HA   ) (resi   14  and name HB#  )  2.6  1.9  1.9 !        S14    
assign (resi   14  and name HA   ) (resi   14  and name HN   )  2.8  1.0  1.0
assign (resi   14  and name HA   ) (resi   15  and name HN   )  2.4  0.7  0.7
assign (resi   14  and name HA   ) (resi   62  and name HB#  )  2.7  2.4  2.4 !        A62    
assign (resi   14  and name HB#  ) (resi   14  and name HN   )  3.1  2.2  2.2 ! S14    
assign (resi   14  and name HB#  ) (resi   17  and name HN   )  3.9  2.9  2.9 ! S14    
assign (resi   14  and name HN   ) (resi   15  and name HN   )  3.3  1.4  1.4
assign (resi   14  and name HN   ) (resi   17  and name HA   )  4.6  2.6  1.4
assign (resi   14  and name HN   ) (resi   17  and name HB1  )  3.0  1.1  1.1
assign (resi   14  and name HN   ) (resi   17  and name HB2  )  3.4  1.5  1.5
assign (resi   14  and name HN   ) (resi   17  and name HN   )  3.3  1.4  1.4


! A15
assign (resi   15  and name HA   ) (resi   15  and name HB#  )  2.6  2.4  2.4 !        A15    
assign (resi   15  and name HA   ) (resi   15  and name HN   )  2.4  0.7  0.7
assign (resi   15  and name HA   ) (resi   16  and name HN   )  3.4  1.4  1.4
assign (resi   15  and name HA   ) (resi   18  and name HG   )  2.8  1.0  1.0
assign (resi   15  and name HA   ) (resi   47  and name HH2  )  3.9  1.9  1.9
assign (resi   15  and name HA   ) (resi   58  and name HD#  )  3.8  3.8  3.8 !        Y58    
assign (resi   15  and name HA   ) (resi   58  and name HN   )  5.0  3.2  1.0
assign (resi   15  and name HA   ) (resi   59  and name HA   )  2.4  0.7  0.7
assign (resi   15  and name HA   ) (resi   61  and name HG#  )  2.8  3.8  4.2 !        K61    
assign (resi   15  and name HB#  ) (resi   15  and name HN   )  2.5  2.3  2.3 ! A15    
assign (resi   15  and name HB#  ) (resi   16  and name HN   )  2.8  2.5  2.5 ! A15    
assign (resi   15  and name HB#  ) (resi   47  and name HE1  )  3.9  3.4  3.4 ! A15    
assign (resi   15  and name HB#  ) (resi   47  and name HZ2  )  2.8  2.5  2.5 ! A15    
assign (resi   15  and name HB#  ) (resi   47  and name HH2  )  2.6  2.3  2.3 ! A15    
assign (resi   15  and name HB#  ) (resi   58  and name HD#  )  3.4  4.9  4.9 ! A15    Y58    
assign (resi   15  and name HB#  ) (resi   58  and name HN   )  4.0  3.5  3.5 ! A15    
assign (resi   15  and name HB#  ) (resi   59  and name HA   )  2.6  2.3  2.3 ! A15    
assign (resi   15  and name HB#  ) (resi   59  and name HB2  )  3.3  2.9  2.9 ! A15    
assign (resi   15  and name HB#  ) (resi   59  and name HG1  )  3.7  3.3  3.3 ! A15    
assign (resi   15  and name HB#  ) (resi   59  and name HG2  )  3.8  3.3  3.3 ! A15    
assign (resi   15  and name HB#  ) (resi   59  and name HN   )  3.3  2.8  2.8 ! A15    
assign (resi   15  and name HN   ) (resi   16  and name HN   )  3.0  1.1  1.1
assign (resi   15  and name HN   ) (resi   59  and name HA   )  3.7  1.7  1.7
assign (resi   15  and name HN   ) (resi   61  and name HD#  )  4.6  3.6  2.4 !        K61    


! F16
assign (resi   16  and name HA   ) (resi   16  and name HB1  )  2.7  0.9  0.9
assign (resi   16  and name HA   ) (resi   16  and name HB2  )  2.6  0.8  0.8
assign (resi   16  and name HA   ) (resi   16  and name HN   )  3.3  1.4  1.4
assign (resi   16  and name HB1  ) (resi   16  and name HD#  )  2.6  2.9  2.9 !        F16    
assign (resi   16  and name HB1  ) (resi   16  and name HE#  )  4.2  5.3  4.8 !        F16    
assign (resi   16  and name HB1  ) (resi   16  and name HN   )  2.6  0.8  0.8
assign (resi   16  and name HB1  ) (resi   17  and name HN   )  2.9  1.1  1.1
assign (resi   16  and name HB1  ) (resi   19  and name HN   )  4.0  2.0  2.0
assign (resi   16  and name HB1  ) (resi   47  and name HE1  )  4.3  2.3  1.7
assign (resi   16  and name HB2  ) (resi   16  and name HD#  )  3.1  3.2  3.2 !        F16    
assign (resi   16  and name HB2  ) (resi   16  and name HE#  )  3.7  4.8  4.8 !        F16    
assign (resi   16  and name HB2  ) (resi   18  and name HN   )  3.8  1.8  1.8
assign (resi   16  and name HB2  ) (resi   19  and name HN   )  4.0  2.0  2.0
assign (resi   16  and name HD#  ) (resi   16  and name HE#  )  2.3  5.7  5.7 ! F16    F16    
assign (resi   16  and name HD#  ) (resi   16  and name HZ   )  3.4  3.4  3.4 ! F16    
assign (resi   16  and name HD#  ) (resi   16  and name HN   )  4.5  4.6  3.5 ! F16    
assign (resi   16  and name HD#  ) (resi   17  and name HN   )  4.4  4.4  3.6 ! F16    
assign (resi   16  and name HD#  ) (resi   19  and name HB2  )  4.1  4.1  3.9 ! F16    
assign (resi   16  and name HD#  ) (resi   19  and name HD#  )  3.2  5.3  5.3 ! F16    F19    
assign (resi   16  and name HD#  ) (resi   47  and name HB#  )  3.2  4.3  4.3 ! F16    W47    
assign (resi   16  and name HD#  ) (resi   47  and name HD1  )  3.2  3.3  3.3 ! F16    
assign (resi   16  and name HD#  ) (resi   47  and name HE1  )  4.0  4.0  4.0 ! F16    
assign (resi   16  and name HD#  ) (resi   47  and name HE3  )  3.5  3.6  3.6 ! F16    
assign (resi   16  and name HE#  ) (resi   43  and name HB2  )  3.2  4.3  4.3 ! F16    
assign (resi   16  and name HE#  ) (resi   47  and name HD1  )  3.5  4.5  4.5 ! F16    
assign (resi   16  and name HE#  ) (resi   47  and name HN   )  4.0  5.0  5.0 ! F16    
assign (resi   16  and name HZ   ) (resi   19  and name HD#  )  4.1  4.1  3.9 !        F19    
assign (resi   16  and name HZ   ) (resi   44  and name HA1  )  3.5  1.6  1.6
assign (resi   16  and name HZ   ) (resi   44  and name HN   )  3.8  1.9  1.9
assign (resi   16  and name HN   ) (resi   17  and name HN   )  3.1  1.2  1.2
assign (resi   16  and name HN   ) (resi   47  and name HE1  )  5.0  3.1  1.0
assign (resi   16  and name HN   ) (resi   47  and name HZ2  )  4.0  2.0  2.0
assign (resi   16  and name HN   ) (resi   47  and name HH2  )  4.0  2.0  2.0


! F17
assign (resi   17  and name HA   ) (resi   17  and name HB1  )  2.8  1.0  1.0
assign (resi   17  and name HA   ) (resi   17  and name HB2  )  2.7  0.9  0.9
assign (resi   17  and name HA   ) (resi   17  and name HD#  )  2.9  3.1  3.1 !        F17    
assign (resi   17  and name HA   ) (resi   17  and name HN   )  3.1  1.2  1.2
assign (resi   17  and name HA   ) (resi   18  and name HN   )  3.5  1.5  1.5
assign (resi   17  and name HA   ) (resi   20  and name HB1  )  3.0  1.1  1.1
assign (resi   17  and name HB1  ) (resi   17  and name HD#  )  2.4  2.7  2.7 !        F17    
assign (resi   17  and name HB1  ) (resi   17  and name HN   )  2.9  1.1  1.1
assign (resi   17  and name HB1  ) (resi   18  and name HN   )  3.0  1.1  1.1
assign (resi   17  and name HB2  ) (resi   17  and name HD#  )  3.0  3.1  3.1 !        F17    
assign (resi   17  and name HB2  ) (resi   17  and name HN   )  2.8  1.0  1.0
assign (resi   17  and name HB2  ) (resi   18  and name HN   )  3.9  1.9  1.9
assign (resi   17  and name HD#  ) (resi   17  and name HE#  )  2.0  5.5  5.5 ! F17    F17    
assign (resi   17  and name HD#  ) (resi   17  and name HZ   )  3.6  3.6  3.6 ! F17    
assign (resi   17  and name HD#  ) (resi   17  and name HN   )  4.2  4.2  3.8 ! F17    
assign (resi   17  and name HD#  ) (resi   18  and name HA   )  3.0  3.1  3.1 ! F17    
assign (resi   17  and name HD#  ) (resi   18  and name HD2# )  2.9  4.5  4.5 ! F17    L18    
assign (resi   17  and name HD#  ) (resi   18  and name HN   )  4.0  4.0  4.0 ! F17    
assign (resi   17  and name HD#  ) (resi   21  and name HB#  )  2.7  3.9  3.9 ! F17    S21    
assign (resi   17  and name HE#  ) (resi   18  and name HD2# )  2.9  7.4  7.6 ! F17    L18    
assign (resi   17  and name HN   ) (resi   18  and name HN   )  2.9  1.0  1.0


! L18
assign (resi   18  and name HA   ) (resi   18  and name HG   )  3.5  1.5  1.5
assign (resi   18  and name HA   ) (resi   18  and name HD2# )  2.7  2.4  2.4 !        L18    
assign (resi   18  and name HA   ) (resi   18  and name HN   )  2.8  1.0  1.0
assign (resi   18  and name HA   ) (resi   19  and name HN   )  3.6  1.6  1.6
assign (resi   18  and name HA   ) (resi   20  and name HB1  )  3.3  3.3  2.7
assign (resi   18  and name HA   ) (resi   58  and name HE#  )  2.9  5.9  6.1 !        Y58    
assign (resi   18  and name HA   ) (resi   61  and name HD#  )  2.0  3.0  5.0 !        K61    
assign (resi   18  and name HB1  ) (resi   18  and name HD1# )  2.9  2.5  2.5 !        L18    
assign (resi   18  and name HB1  ) (resi   18  and name HD2# )  3.2  2.8  2.8 !        L18    
assign (resi   18  and name HB1  ) (resi   18  and name HN   )  3.8  1.8  1.8
assign (resi   18  and name HB1  ) (resi   19  and name HN   )  4.0  2.0  2.0
assign (resi   18  and name HB1  ) (resi   22  and name HG1  )  2.0  2.0  4.0
assign (resi   18  and name HB1  ) (resi   22  and name HN   )  3.5  1.6  1.6
assign (resi   18  and name HB1  ) (resi   23  and name HN   )  3.9  3.9  2.1
assign (resi   18  and name HB1  ) (resi   65  and name HD1# )  3.6  5.1  3.9 !        L65    
assign (resi   18  and name HB2  ) (resi   18  and name HG   )  2.5  0.8  0.8
assign (resi   18  and name HB2  ) (resi   18  and name HD1# )  3.2  2.8  2.8 !        L18    
assign (resi   18  and name HB2  ) (resi   18  and name HD2# )  2.5  2.3  2.3 !        L18    
assign (resi   18  and name HB2  ) (resi   58  and name HD#  )  2.8  3.0  3.0 !        Y58    
assign (resi   18  and name HB2  ) (resi   58  and name HE#  )  3.5  4.6  4.6 !        Y58    
assign (resi   18  and name HG   ) (resi   18  and name HN   )  3.6  1.6  1.6
assign (resi   18  and name HG   ) (resi   58  and name HD#  )  3.5  3.6  3.6 !        Y58    
assign (resi   18  and name HG   ) (resi   59  and name HA   )  3.5  3.5  2.5
assign (resi   18  and name HG   ) (resi   61  and name HB#  )  3.9  2.9  2.9 !        K61    
assign (resi   18  and name HG   ) (resi   61  and name HG#  )  2.7  1.9  1.9 !        K61    
assign (resi   18  and name HG   ) (resi   61  and name HD#  )  2.7  1.9  1.9 !        K61    
assign (resi   18  and name HG   ) (resi   62  and name HA   )  2.7  0.9  0.9
assign (resi   18  and name HG   ) (resi   62  and name HB#  )  2.5  2.3  2.3 !        A62    
assign (resi   18  and name HG   ) (resi   62  and name HN   )  3.2  1.3  1.3
assign (resi   18  and name HD1# ) (resi   19  and name HN   )  4.7  4.2  2.8 ! L18    
assign (resi   18  and name HD1# ) (resi   61  and name HB#  )  3.5  4.0  4.0 ! L18    K61    
assign (resi   18  and name HD1# ) (resi   62  and name HN   )  4.0  3.5  3.5 ! L18    
assign (resi   18  and name HD2# ) (resi   19  and name HA   )  3.7  5.2  3.8 ! L18    
assign (resi   18  and name HD2# ) (resi   58  and name HD#  )  3.7  5.2  5.2 ! L18    Y58    
assign (resi   18  and name HD2# ) (resi   61  and name HB#  )  2.8  5.3  5.7 ! L18    K61    
assign (resi   18  and name HD2# ) (resi   61  and name HG#  )  3.5  4.0  4.0 ! L18    K61    
assign (resi   18  and name HD2# ) (resi   61  and name HN   )  4.5  4.0  3.0 ! L18    
assign (resi   18  and name HD2# ) (resi   62  and name HB#  )  2.5  3.8  3.8 ! L18    A62    
assign (resi   18  and name HD2# ) (resi   65  and name HB2  )  2.1  3.6  5.4 ! L18    
assign (resi   18  and name HN   ) (resi   19  and name HB2  )  3.3  3.3  2.7
assign (resi   18  and name HN   ) (resi   19  and name HN   )  2.6  0.9  0.9


! F19
assign (resi   19  and name HA   ) (resi   19  and name HD#  )  2.7  2.9  2.9 !        F19    
assign (resi   19  and name HA   ) (resi   19  and name HN   )  3.0  1.1  1.1
assign (resi   19  and name HB1  ) (resi   19  and name HD#  )  2.7  2.9  2.9 !        F19    
assign (resi   19  and name HB1  ) (resi   19  and name HN   )  2.9  1.0  1.0
assign (resi   19  and name HB1  ) (resi   47  and name HE3  )  3.3  1.4  1.4
assign (resi   19  and name HB2  ) (resi   19  and name HD#  )  3.1  3.2  3.2 !        F19    
assign (resi   19  and name HB2  ) (resi   19  and name HN   )  2.9  1.0  1.0
assign (resi   19  and name HB2  ) (resi   47  and name HE3  )  3.4  1.4  1.4
assign (resi   19  and name HD#  ) (resi   19  and name HE#  )  2.6  5.8  5.8 ! F19    F19    
assign (resi   19  and name HD#  ) (resi   19  and name HZ   )  3.4  3.5  3.5 ! F19    
assign (resi   19  and name HD#  ) (resi   19  and name HN   )  4.4  4.4  3.6 ! F19    
assign (resi   19  and name HD#  ) (resi   20  and name HN   )  3.8  3.8  3.8 ! F19    
assign (resi   19  and name HD#  ) (resi   22  and name HN   )  3.8  3.8  3.8 ! F19    
assign (resi   19  and name HD#  ) (resi   23  and name HD#  )  3.4  5.4  5.4 ! F19    Y23    
assign (resi   19  and name HD#  ) (resi   43  and name HD2# )  3.0  4.6  4.6 ! F19    L43    
assign (resi   19  and name HD#  ) (resi   46  and name HG1  )  4.4  4.5  3.6 ! F19    
assign (resi   19  and name HD#  ) (resi   47  and name HE3  )  3.2  3.3  3.3 ! F19    
assign (resi   19  and name HD#  ) (resi   47  and name HZ3  )  3.5  3.6  3.6 ! F19    
assign (resi   19  and name HD#  ) (resi   47  and name HN   )  3.9  3.9  3.9 ! F19    
assign (resi   19  and name HD#  ) (resi   58  and name HD#  )  4.5  6.5  5.5 ! F19    Y58    
assign (resi   19  and name HD#  ) (resi   58  and name HE#  )  2.9  6.0  6.0 ! F19    Y58    
assign (resi   19  and name HE#  ) (resi   19  and name HZ   )  2.8  4.0  4.0 ! F19    
assign (resi   19  and name HE#  ) (resi   23  and name HB2  )  2.9  4.1  4.1 ! F19    
assign (resi   19  and name HE#  ) (resi   23  and name HE#  )  3.0  7.1  7.1 ! F19    Y23    
assign (resi   19  and name HE#  ) (resi   47  and name HN   )  3.3  4.4  4.4 ! F19    
assign (resi   19  and name HZ   ) (resi   46  and name HB1  )  3.7  1.7  1.7
assign (resi   19  and name HZ   ) (resi   46  and name HB2  )  3.1  1.2  1.2
assign (resi   19  and name HZ   ) (resi   47  and name HN   )  5.0  3.1  1.0
assign (resi   19  and name HN   ) (resi   20  and name HN   )  3.1  1.2  1.2
assign (resi   19  and name HN   ) (resi   58  and name HD#  )  3.5  3.6  3.6 !        Y58    


! C20
assign (resi   20  and name HA   ) (resi   20  and name HB1  )  3.1  1.2  1.2
assign (resi   20  and name HA   ) (resi   20  and name HN   )  3.0  1.1  1.1
assign (resi   20  and name HA   ) (resi   21  and name HN   )  3.4  1.4  1.4
assign (resi   20  and name HA   ) (resi   23  and name HN   )  3.4  1.4  1.4
assign (resi   20  and name HA   ) (resi   24  and name HN   )  3.8  3.8  2.2
assign (resi   20  and name HA   ) (resi   43  and name HD1# )  2.8  2.5  2.5 !        L43    
assign (resi   20  and name HA   ) (resi   43  and name HD2# )  2.9  2.6  2.6 !        L43    
assign (resi   20  and name HB1  ) (resi   20  and name HN   )  3.0  1.1  1.1
assign (resi   20  and name HB1  ) (resi   21  and name HN   )  3.1  1.2  1.2
assign (resi   20  and name HB2  ) (resi   20  and name HN   )  2.9  1.1  1.1
assign (resi   20  and name HB2  ) (resi   21  and name HA   )  3.8  1.8  1.8
assign (resi   20  and name HB2  ) (resi   21  and name HN   )  3.8  1.8  1.8
assign (resi   20  and name HN   ) (resi   21  and name HB#  )  4.3  3.3  2.7 !        S21    
assign (resi   20  and name HN   ) (resi   21  and name HN   )  3.0  1.1  1.1
assign (resi   20  and name HN   ) (resi   22  and name HN   )  4.1  2.1  1.9
assign (resi   20  and name HN   ) (resi   24  and name HG#  )  3.2  4.2  3.8 !        R24    


! S21
assign (resi   21  and name HA   ) (resi   21  and name HN   )  2.5  0.8  0.8
assign (resi   21  and name HA   ) (resi   22  and name HN   )  3.0  1.1  1.1
assign (resi   21  and name HA   ) (resi   23  and name HN   )  3.8  1.8  1.8
assign (resi   21  and name HB#  ) (resi   21  and name HN   )  2.8  2.0  2.0 ! S21    
assign (resi   21  and name HB#  ) (resi   22  and name HG1  )  3.5  2.5  2.5 ! S21    
assign (resi   21  and name HB#  ) (resi   22  and name HN   )  3.2  2.3  2.3 ! S21    
assign (resi   21  and name HN   ) (resi   22  and name HA   )  3.7  1.8  1.8
assign (resi   21  and name HN   ) (resi   22  and name HN   )  2.8  1.0  1.0
assign (resi   21  and name HN   ) (resi   24  and name HG#  )  3.8  2.8  2.8 !        R24    


! E22
assign (resi   22  and name HA   ) (resi   22  and name HB1  )  2.7  0.9  0.9
assign (resi   22  and name HA   ) (resi   22  and name HB2  )  2.9  1.0  1.0
assign (resi   22  and name HA   ) (resi   22  and name HG1  )  3.1  1.2  1.2
assign (resi   22  and name HA   ) (resi   22  and name HG2  )  2.7  0.9  0.9
assign (resi   22  and name HA   ) (resi   22  and name HN   )  2.8  0.9  0.9
assign (resi   22  and name HA   ) (resi   24  and name HN   )  3.4  1.5  1.5
assign (resi   22  and name HB1  ) (resi   23  and name HN   )  3.6  1.7  1.7
assign (resi   22  and name HB1  ) (resi   58  and name HE#  )  2.6  5.6  6.4 !        Y58    
assign (resi   22  and name HB2  ) (resi   23  and name HD#  )  2.7  2.9  2.9 !        Y23    
assign (resi   22  and name HG1  ) (resi   22  and name HN   )  2.8  1.0  1.0
assign (resi   22  and name HG1  ) (resi   23  and name HE#  )  2.8  5.8  6.2 !        Y23    
assign (resi   22  and name HN   ) (resi   23  and name HD#  )  4.5  4.5  3.5 !        Y23    
assign (resi   22  and name HN   ) (resi   23  and name HN   )  2.6  0.9  0.9
assign (resi   22  and name HN   ) (resi   24  and name HD#  )  3.4  4.4  3.6 !        R24    
assign (resi   22  and name HN   ) (resi   24  and name HN   )  3.7  1.7  1.7


! Y23
assign (resi   23  and name HA   ) (resi   23  and name HD#  )  2.8  3.0  3.0 !        Y23    
assign (resi   23  and name HA   ) (resi   23  and name HE#  )  3.7  4.7  4.7 !        Y23    
assign (resi   23  and name HA   ) (resi   23  and name HN   )  2.8  1.0  1.0
assign (resi   23  and name HA   ) (resi   26  and name HB#  )  3.1  2.2  2.2 !        K26    
assign (resi   23  and name HA   ) (resi   26  and name HN   )  3.0  1.1  1.1
assign (resi   23  and name HA   ) (resi   27  and name HD1# )  3.4  4.9  4.1 !        I27    
assign (resi   23  and name HB1  ) (resi   23  and name HD#  )  2.5  2.8  2.8 !        Y23    
assign (resi   23  and name HB1  ) (resi   23  and name HE#  )  3.9  4.9  4.9 !        Y23    
assign (resi   23  and name HB1  ) (resi   43  and name HD2# )  2.7  2.4  2.4 !        L43    
assign (resi   23  and name HB2  ) (resi   23  and name HD#  )  3.1  3.2  3.2 !        Y23    
assign (resi   23  and name HB2  ) (resi   23  and name HE#  )  4.4  5.4  4.6 !        Y23    
assign (resi   23  and name HB2  ) (resi   23  and name HN   )  2.7  0.9  0.9
assign (resi   23  and name HD#  ) (resi   23  and name HE#  )  1.9  5.4  5.4 ! Y23    Y23    
assign (resi   23  and name HD#  ) (resi   23  and name HN   )  2.8  3.0  3.0 ! Y23    
assign (resi   23  and name HD#  ) (resi   26  and name HB#  )  2.6  3.9  3.9 ! Y23    K26    
assign (resi   23  and name HD#  ) (resi   27  and name HD1# )  2.8  6.3  6.7 ! Y23    I27    
assign (resi   23  and name HE#  ) (resi   26  and name HB#  )  3.3  7.3  6.7 ! Y23    K26    
assign (resi   23  and name HE#  ) (resi   26  and name HD#  )  3.7  5.8  5.8 ! Y23    K26    
assign (resi   23  and name HE#  ) (resi   58  and name HE#  )  3.1  7.2  7.2 ! Y23    Y58    
assign (resi   23  and name HN   ) (resi   24  and name HN   )  3.0  1.1  1.1
assign (resi   23  and name HN   ) (resi   43  and name HD1# )  3.0  4.5  4.5 !        L43    


! R24
assign (resi   24  and name HA   ) (resi   24  and name HB#  )  2.7  1.9  1.9 !        R24    
assign (resi   24  and name HA   ) (resi   24  and name HN   )  3.0  1.2  1.2
assign (resi   24  and name HA   ) (resi   27  and name HG2# )  4.4  3.9  3.1 !        I27    
assign (resi   24  and name HA   ) (resi   27  and name HD1# )  2.8  2.5  2.5 !        I27    
assign (resi   24  and name HA   ) (resi   28  and name HN   )  3.5  3.5  2.5
assign (resi   24  and name HA   ) (resi   43  and name HD1# )  2.9  2.6  2.6 !        L43    
assign (resi   24  and name HA   ) (resi   43  and name HD2# )  3.0  2.6  2.6 !        L43    
assign (resi   24  and name HB#  ) (resi   24  and name HD#  )  2.9  3.1  3.1 ! R24    R24    
assign (resi   24  and name HB#  ) (resi   24  and name HN   )  2.7  1.9  1.9 ! R24    
assign (resi   24  and name HB#  ) (resi   25  and name HA   )  3.3  2.4  2.4 ! R24    
assign (resi   24  and name HB#  ) (resi   27  and name HD1# )  2.9  5.4  5.6 ! R24    I27    
assign (resi   24  and name HB#  ) (resi   39  and name HG2# )  3.1  3.7  3.7 ! R24    T39    
assign (resi   24  and name HG#  ) (resi   24  and name HD#  )  2.8  3.0  3.0 ! R24    R24    
assign (resi   24  and name HG#  ) (resi   39  and name HG2# )  2.9  3.6  3.6 ! R24    T39    
assign (resi   24  and name HD#  ) (resi   28  and name HD#  )  2.6  4.6  5.4 ! R24    K28    
assign (resi   24  and name HN   ) (resi   25  and name HG#  )  4.5  3.5  2.5 !        P25    
assign (resi   24  and name HN   ) (resi   25  and name HD#  )  2.8  2.0  2.0 !        P25    
assign (resi   24  and name HN   ) (resi   28  and name HD#  )  3.1  4.1  3.9 !        K28    


! P25
assign (resi   25  and name HA   ) (resi   25  and name HB1  )  2.7  0.9  0.9
assign (resi   25  and name HA   ) (resi   25  and name HB2  )  2.6  0.8  0.8
assign (resi   25  and name HA   ) (resi   26  and name HN   )  3.6  1.6  1.6
assign (resi   25  and name HA   ) (resi   28  and name HB#  )  3.0  2.1  2.1 !        K28    
assign (resi   25  and name HA   ) (resi   28  and name HN   )  3.8  1.8  1.8
assign (resi   25  and name HB1  ) (resi   25  and name HB2  )  2.1  0.5  0.5
assign (resi   25  and name HB1  ) (resi   25  and name HD#  )  3.4  2.4  2.4 !        P25    
assign (resi   25  and name HB1  ) (resi   26  and name HN   )  3.9  1.9  1.9
assign (resi   25  and name HG#  ) (resi   25  and name HD#  )  2.9  3.1  3.1 ! P25    P25    


! K26
assign (resi   26  and name HA   ) (resi   26  and name HD#  )  2.7  1.9  1.9 !        K26    
assign (resi   26  and name HA   ) (resi   26  and name HE#  )  2.4  3.4  4.6 !        K26    
assign (resi   26  and name HA   ) (resi   26  and name HN   )  2.9  1.1  1.1
assign (resi   26  and name HA   ) (resi   27  and name HN   )  3.2  1.3  1.3
assign (resi   26  and name HA   ) (resi   28  and name HD#  )  2.5  3.5  4.5 !        K28    
assign (resi   26  and name HB#  ) (resi   26  and name HN   )  2.6  1.9  1.9 ! K26    
assign (resi   26  and name HB#  ) (resi   27  and name HD1# )  2.3  3.2  3.2 ! K26    I27    
assign (resi   26  and name HB#  ) (resi   27  and name HN   )  2.4  1.7  1.7 ! K26    
assign (resi   26  and name HB#  ) (resi   28  and name HG#  )  3.2  5.2  4.8 ! K26    K28    
assign (resi   26  and name HB#  ) (resi   28  and name HD#  )  3.3  5.3  4.7 ! K26    K28    
assign (resi   26  and name HB#  ) (resi   43  and name HD2# )  2.8  5.3  5.7 ! K26    L43    
assign (resi   26  and name HD#  ) (resi   27  and name HA   )  3.4  4.4  3.6 ! K26    
assign (resi   26  and name HD#  ) (resi   27  and name HD1# )  2.8  5.3  5.7 ! K26    I27    
assign (resi   26  and name HE#  ) (resi   28  and name HG#  )  1.7  3.7  6.3 ! K26    K28    
assign (resi   26  and name HN   ) (resi   27  and name HN   )  2.6  0.9  0.9
assign (resi   26  and name HN   ) (resi   28  and name HD#  )  3.4  2.4  2.4 !        K28    
assign (resi   26  and name HN   ) (resi   28  and name HN   )  3.9  1.9  1.9
assign (resi   26  and name HN   ) (resi   29  and name HB#  )  3.2  4.2  3.8 !        S29    


! I27
assign (resi   27  and name HA   ) (resi   27  and name HG2# )  2.4  2.2  2.2 !        I27    
assign (resi   27  and name HA   ) (resi   27  and name HD1# )  3.3  2.9  2.9 !        I27    
assign (resi   27  and name HA   ) (resi   28  and name HN   )  2.9  1.0  1.0
assign (resi   27  and name HA   ) (resi   31  and name HE1  )  2.6  0.8  0.8
assign (resi   27  and name HB   ) (resi   27  and name HG2# )  2.1  2.1  2.1 !        I27    
assign (resi   27  and name HB   ) (resi   27  and name HD1# )  3.2  2.8  2.8 !        I27    
assign (resi   27  and name HB   ) (resi   28  and name HN   )  3.3  1.3  1.3
assign (resi   27  and name HB   ) (resi   29  and name HN   )  4.1  2.1  1.9
assign (resi   27  and name HG11 ) (resi   27  and name HG12 )  1.5  0.3  0.7
assign (resi   27  and name HG11 ) (resi   27  and name HG2# )  2.8  2.5  2.5 !        I27    
assign (resi   27  and name HG11 ) (resi   27  and name HD1# )  2.3  2.2  2.2 !        I27    
assign (resi   27  and name HG11 ) (resi   34  and name HD1# )  2.5  2.3  2.3 !        L34    
assign (resi   27  and name HG11 ) (resi   34  and name HD2# )  2.4  2.2  2.2 !        L34    
assign (resi   27  and name HG12 ) (resi   27  and name HG2# )  3.1  2.7  2.7 !        I27    
assign (resi   27  and name HG12 ) (resi   27  and name HD1# )  2.3  2.1  2.1 !        I27    
assign (resi   27  and name HG12 ) (resi   27  and name HN   )  2.8  1.0  1.0
assign (resi   27  and name HG12 ) (resi   28  and name HN   )  2.3  2.3  3.7
assign (resi   27  and name HG12 ) (resi   31  and name HB2  )  2.4  2.4  3.6
assign (resi   27  and name HG12 ) (resi   39  and name HG2# )  2.8  2.5  2.5 !        T39    
assign (resi   27  and name HG2# ) (resi   27  and name HD1# )  1.9  3.4  3.4 ! I27    I27    
assign (resi   27  and name HG2# ) (resi   27  and name HN   )  3.3  2.9  2.9 ! I27    
assign (resi   27  and name HG2# ) (resi   28  and name HB#  )  3.9  4.4  4.4 ! I27    K28    
assign (resi   27  and name HG2# ) (resi   28  and name HN   )  4.4  4.0  3.1 ! I27    
assign (resi   27  and name HG2# ) (resi   31  and name HB1  )  3.8  3.3  3.3 ! I27    
assign (resi   27  and name HG2# ) (resi   31  and name HB2  )  3.7  3.2  3.2 ! I27    
assign (resi   27  and name HG2# ) (resi   31  and name HE1  )  2.6  2.3  2.3 ! I27    
assign (resi   27  and name HG2# ) (resi   31  and name HN   )  4.5  4.0  3.0 ! I27    
assign (resi   27  and name HG2# ) (resi   34  and name HB1  )  3.3  4.8  4.2 ! I27    
assign (resi   27  and name HG2# ) (resi   34  and name HD1# )  3.2  4.2  4.2 ! I27    L34    
assign (resi   27  and name HG2# ) (resi   34  and name HD2# )  2.8  4.0  4.0 ! I27    L34    
assign (resi   27  and name HG2# ) (resi   39  and name HG2# )  4.3  5.3  4.7 ! I27    T39    
assign (resi   27  and name HG2# ) (resi   42  and name HG#  )  2.5  3.3  3.3 ! I27    K42    
assign (resi   27  and name HD1# ) (resi   27  and name HN   )  2.9  2.5  2.5 ! I27    
assign (resi   27  and name HD1# ) (resi   31  and name HE1  )  4.3  3.8  3.2 ! I27    
assign (resi   27  and name HD1# ) (resi   38  and name HB1  )  3.6  5.1  3.9 ! I27    
assign (resi   27  and name HD1# ) (resi   42  and name HA   )  3.7  3.2  3.2 ! I27    
assign (resi   27  and name HD1# ) (resi   42  and name HB#  )  3.0  3.6  3.6 ! I27    K42    
assign (resi   27  and name HD1# ) (resi   42  and name HG#  )  2.7  5.2  5.8 ! I27    K42    
assign (resi   27  and name HD1# ) (resi   43  and name HA   )  3.3  2.9  2.9 ! I27    
assign (resi   27  and name HN   ) (resi   28  and name HB#  )  4.5  3.5  2.5 !        K28    
assign (resi   27  and name HN   ) (resi   28  and name HD#  )  3.5  2.6  2.6 !        K28    
assign (resi   27  and name HN   ) (resi   28  and name HN   )  2.5  0.8  0.8
assign (resi   27  and name HN   ) (resi   29  and name HB#  )  2.5  3.5  4.5 !        S29    
assign (resi   27  and name HN   ) (resi   29  and name HN   )  3.7  1.7  1.7


! K28
assign (resi   28  and name HA   ) (resi   28  and name HB#  )  2.2  1.6  1.6 !        K28    
assign (resi   28  and name HA   ) (resi   28  and name HG#  )  3.4  2.4  2.4 !        K28    
assign (resi   28  and name HA   ) (resi   29  and name HN   )  2.9  1.1  1.1
assign (resi   28  and name HA   ) (resi   39  and name HG2# )  3.9  3.4  3.4 !        T39    
assign (resi   28  and name HB#  ) (resi   28  and name HG#  )  2.5  2.8  2.8 ! K28    K28    
assign (resi   28  and name HB#  ) (resi   28  and name HE#  )  2.9  3.1  3.1 ! K28    K28    
assign (resi   28  and name HB#  ) (resi   28  and name HN   )  2.5  1.8  1.8 ! K28    
assign (resi   28  and name HB#  ) (resi   29  and name HN   )  3.0  2.1  2.1 ! K28    
assign (resi   28  and name HB#  ) (resi   39  and name HA   )  4.0  3.0  3.0 ! K28    
assign (resi   28  and name HG#  ) (resi   28  and name HE#  )  2.9  3.0  3.0 ! K28    K28    
assign (resi   28  and name HG#  ) (resi   28  and name HN   )  2.7  1.9  1.9 ! K28    
assign (resi   28  and name HD#  ) (resi   28  and name HN   )  3.5  2.6  2.6 ! K28    
assign (resi   28  and name HD#  ) (resi   29  and name HN   )  3.2  4.2  3.8 ! K28    
assign (resi   28  and name HE#  ) (resi   34  and name HD1# )  3.3  3.9  3.9 ! K28    L34    
assign (resi   28  and name HE#  ) (resi   36  and name HA   )  2.8  2.0  2.0 ! K28    
assign (resi   28  and name HN   ) (resi   29  and name HN   )  2.6  0.8  0.8


! S29
assign (resi   29  and name HA   ) (resi   29  and name HB#  )  2.2  1.6  1.6 !        S29    
assign (resi   29  and name HA   ) (resi   29  and name HN   )  2.8  1.0  1.0
assign (resi   29  and name HA   ) (resi   30  and name HB2  )  3.7  3.7  2.3
assign (resi   29  and name HA   ) (resi   30  and name HN   )  3.5  1.6  1.6
assign (resi   29  and name HA   ) (resi   31  and name HN   )  4.0  2.0  2.0
assign (resi   29  and name HB#  ) (resi   29  and name HN   )  2.5  1.8  1.8 ! S29    
assign (resi   29  and name HB#  ) (resi   30  and name HG1  )  3.0  2.1  2.1 ! S29    
assign (resi   29  and name HB#  ) (resi   30  and name HG2  )  3.3  2.4  2.4 ! S29    
assign (resi   29  and name HB#  ) (resi   30  and name HN   )  2.9  2.0  2.0 ! S29    
assign (resi   29  and name HN   ) (resi   30  and name HB2  )  4.7  2.7  1.3
assign (resi   29  and name HN   ) (resi   30  and name HG2  )  3.3  1.4  1.4
assign (resi   29  and name HN   ) (resi   30  and name HN   )  2.5  0.8  0.8
assign (resi   29  and name HN   ) (resi   31  and name HN   )  3.8  1.8  1.8


! E30
assign (resi   30  and name HA   ) (resi   30  and name HB1  )  2.7  0.9  0.9
assign (resi   30  and name HA   ) (resi   30  and name HB2  )  2.6  0.9  0.9
assign (resi   30  and name HA   ) (resi   30  and name HN   )  2.8  0.9  0.9
assign (resi   30  and name HA   ) (resi   31  and name HE1  )  3.9  1.9  1.9
assign (resi   30  and name HA   ) (resi   31  and name HN   )  2.8  1.0  1.0
assign (resi   30  and name HA   ) (resi   32  and name HG#  )  3.1  2.2  2.2 !        P32    
assign (resi   30  and name HB1  ) (resi   30  and name HG1  )  3.0  1.1  1.1
assign (resi   30  and name HB1  ) (resi   30  and name HN   )  3.4  1.4  1.4
assign (resi   30  and name HB1  ) (resi   31  and name HE1  )  3.4  1.5  1.5
assign (resi   30  and name HB1  ) (resi   31  and name HN   )  3.7  1.7  1.7
assign (resi   30  and name HB2  ) (resi   30  and name HG1  )  2.8  1.0  1.0
assign (resi   30  and name HB2  ) (resi   30  and name HG2  )  3.2  1.3  1.3
assign (resi   30  and name HB2  ) (resi   30  and name HN   )  2.7  0.9  0.9
assign (resi   30  and name HB2  ) (resi   31  and name HE1  )  2.8  1.0  1.0
assign (resi   30  and name HB2  ) (resi   31  and name HN   )  3.6  1.6  1.6
assign (resi   30  and name HG1  ) (resi   30  and name HN   )  3.3  1.3  1.3
assign (resi   30  and name HG2  ) (resi   30  and name HN   )  3.3  1.4  1.4
assign (resi   30  and name HG2  ) (resi   31  and name HN   )  3.0  3.0  3.0
assign (resi   30  and name HN   ) (resi   31  and name HN   )  2.5  0.8  0.8


! H31
assign (resi   31  and name HA   ) (resi   31  and name HB1  )  2.5  0.8  0.8
assign (resi   31  and name HA   ) (resi   31  and name HB2  )  2.8  1.0  1.0
assign (resi   31  and name HA   ) (resi   31  and name HN   )  3.0  1.1  1.1
assign (resi   31  and name HA   ) (resi   32  and name HG#  )  4.2  3.2  2.8 !        P32    
assign (resi   31  and name HA   ) (resi   32  and name HD1  )  2.7  0.9  0.9
assign (resi   31  and name HA   ) (resi   32  and name HD2  )  2.5  0.8  0.8
assign (resi   31  and name HB1  ) (resi   31  and name HE1  )  3.6  3.6  2.4
assign (resi   31  and name HB1  ) (resi   31  and name HN   )  3.4  1.4  1.4
assign (resi   31  and name HB1  ) (resi   34  and name HD1# )  3.1  2.7  2.7 !        L34    
assign (resi   31  and name HB1  ) (resi   34  and name HD2# )  3.1  2.7  2.7 !        L34    
assign (resi   31  and name HB1  ) (resi   34  and name HN   )  4.1  2.1  1.9
assign (resi   31  and name HB2  ) (resi   31  and name HN   )  2.9  1.0  1.0
assign (resi   31  and name HB2  ) (resi   34  and name HB2  )  3.7  1.7  1.7
assign (resi   31  and name HB2  ) (resi   34  and name HD1# )  2.7  2.4  2.4 !        L34    
assign (resi   31  and name HB2  ) (resi   34  and name HD2# )  2.9  2.6  2.6 !        L34    
assign (resi   31  and name HB2  ) (resi   34  and name HN   )  5.0  3.2  1.0
assign (resi   31  and name HD2  ) (resi   31  and name HE1  )  3.8  1.8  1.8
assign (resi   31  and name HE1  ) (resi   34  and name HD1# )  2.8  4.3  4.7 !        L34    
assign (resi   31  and name HE1  ) (resi   34  and name HD2# )  2.6  4.1  4.9 !        L34    
assign (resi   31  and name HN   ) (resi   32  and name HG#  )  4.2  3.2  2.8 !        P32    
assign (resi   31  and name HN   ) (resi   32  and name HD1  )  3.0  1.1  1.1
assign (resi   31  and name HN   ) (resi   32  and name HD2  )  4.5  2.5  1.5


! P32
assign (resi   32  and name HA   ) (resi   32  and name HB1  )  2.2  0.6  0.6
assign (resi   32  and name HA   ) (resi   32  and name HB2  )  2.8  1.0  1.0
assign (resi   32  and name HA   ) (resi   32  and name HG#  )  2.8  2.0  2.0 !        P32    
assign (resi   32  and name HA   ) (resi   33  and name HN   )  2.8  1.0  1.0
assign (resi   32  and name HA   ) (resi   34  and name HD1# )  2.8  4.3  4.7 !        L34    
assign (resi   32  and name HA   ) (resi   34  and name HN   )  3.3  1.4  1.4
assign (resi   32  and name HB1  ) (resi   32  and name HG#  )  2.7  1.9  1.9 !        P32    
assign (resi   32  and name HB1  ) (resi   33  and name HA2  )  3.7  1.7  1.7
assign (resi   32  and name HB1  ) (resi   33  and name HN   )  4.3  2.3  1.7
assign (resi   32  and name HB2  ) (resi   33  and name HN   )  3.1  1.2  1.2
assign (resi   32  and name HG#  ) (resi   32  and name HD1  )  2.8  2.0  2.0 ! P32    
assign (resi   32  and name HG#  ) (resi   32  and name HD2  )  2.7  1.9  1.9 ! P32    
assign (resi   32  and name HG#  ) (resi   34  and name HN   )  4.7  3.8  2.3 ! P32    
assign (resi   32  and name HD1  ) (resi   32  and name HD2  )  2.1  0.6  0.6
assign (resi   32  and name HD1  ) (resi   33  and name HN   )  4.5  2.6  1.5
assign (resi   32  and name HD2  ) (resi   33  and name HN   )  3.6  1.6  1.6


! G33
assign (resi   33  and name HA1  ) (resi   33  and name HN   )  2.6  0.9  0.9
assign (resi   33  and name HA1  ) (resi   34  and name HD2# )  3.9  3.4  3.4 !        L34    
assign (resi   33  and name HA1  ) (resi   34  and name HN   )  3.0  1.1  1.1
assign (resi   33  and name HA2  ) (resi   33  and name HN   )  3.0  1.1  1.1
assign (resi   33  and name HA2  ) (resi   34  and name HN   )  3.7  1.7  1.7
assign (resi   33  and name HN   ) (resi   34  and name HN   )  2.8  0.9  0.9


! L34
assign (resi   34  and name HA   ) (resi   34  and name HB1  )  2.7  0.9  0.9
assign (resi   34  and name HA   ) (resi   34  and name HB2  )  2.3  0.6  0.6
assign (resi   34  and name HA   ) (resi   34  and name HD1# )  2.9  2.5  2.5 !        L34    
assign (resi   34  and name HA   ) (resi   34  and name HD2# )  3.0  2.6  2.6 !        L34    
assign (resi   34  and name HA   ) (resi   34  and name HN   )  2.7  0.9  0.9
assign (resi   34  and name HA   ) (resi   35  and name HN   )  2.3  0.6  0.6
assign (resi   34  and name HA   ) (resi   42  and name HG#  )  3.8  4.8  3.2 !        K42    
assign (resi   34  and name HB1  ) (resi   34  and name HD1# )  2.8  2.4  2.4 !        L34    
assign (resi   34  and name HB1  ) (resi   34  and name HD2# )  2.6  2.3  2.3 !        L34    
assign (resi   34  and name HB1  ) (resi   34  and name HN   )  2.7  0.9  0.9
assign (resi   34  and name HB2  ) (resi   34  and name HD1# )  2.1  2.0  2.0 !        L34    
assign (resi   34  and name HB2  ) (resi   34  and name HD2# )  2.2  2.1  2.1 !        L34    
assign (resi   34  and name HB2  ) (resi   34  and name HN   )  2.8  1.0  1.0
assign (resi   34  and name HB2  ) (resi   35  and name HN   )  3.4  1.4  1.4
assign (resi   34  and name HG   ) (resi   34  and name HD1# )  2.1  2.1  2.1 !        L34    
assign (resi   34  and name HG   ) (resi   34  and name HD2# )  2.1  2.1  2.1 !        L34    
assign (resi   34  and name HG   ) (resi   34  and name HN   )  2.4  0.7  0.7
assign (resi   34  and name HG   ) (resi   35  and name HN   )  4.3  2.4  1.7
assign (resi   34  and name HG   ) (resi   39  and name HN   )  4.5  2.6  1.5
assign (resi   34  and name HD1# ) (resi   34  and name HN   )  3.5  3.0  3.0 ! L34    
assign (resi   34  and name HD1# ) (resi   35  and name HN   )  3.5  3.0  3.0 ! L34    
assign (resi   34  and name HD1# ) (resi   36  and name HA   )  3.4  3.0  3.0 ! L34    
assign (resi   34  and name HD1# ) (resi   38  and name HB1  )  3.7  3.2  3.2 ! L34    
assign (resi   34  and name HD1# ) (resi   38  and name HB2  )  3.4  2.9  2.9 ! L34    
assign (resi   34  and name HD1# ) (resi   39  and name HB   )  3.3  2.9  2.9 ! L34    
assign (resi   34  and name HD1# ) (resi   39  and name HN   )  3.6  3.1  3.1 ! L34    
assign (resi   34  and name HD1# ) (resi   40  and name HN   )  4.6  4.2  2.9 ! L34    
assign (resi   34  and name HD2# ) (resi   34  and name HN   )  4.1  3.6  3.4 ! L34    
assign (resi   34  and name HD2# ) (resi   35  and name HN   )  4.5  4.0  3.0 ! L34    
assign (resi   34  and name HD2# ) (resi   38  and name HB1  )  2.7  2.4  2.4 ! L34    
assign (resi   34  and name HD2# ) (resi   38  and name HB2  )  3.2  2.8  2.8 ! L34    
assign (resi   34  and name HD2# ) (resi   39  and name HB   )  3.4  2.9  2.9 ! L34    
assign (resi   34  and name HD2# ) (resi   39  and name HG2# )  3.6  4.6  4.6 ! L34    T39    
assign (resi   34  and name HD2# ) (resi   42  and name HB#  )  3.0  3.6  3.6 ! L34    K42    
assign (resi   34  and name HD2# ) (resi   42  and name HN   )  4.4  3.9  3.1 ! L34    
assign (resi   34  and name HN   ) (resi   35  and name HN   )  4.3  2.3  1.7
assign (resi   34  and name HN   ) (resi   38  and name HB2  )  3.2  3.2  2.8


! S35
assign (resi   35  and name HA   ) (resi   35  and name HN   )  2.9  1.1  1.1
assign (resi   35  and name HA   ) (resi   36  and name HN   )  2.7  0.9  0.9
assign (resi   35  and name HA   ) (resi   37  and name HN   )  4.2  2.2  1.8
assign (resi   35  and name HB1  ) (resi   35  and name HB2  )  2.0  0.5  0.5
assign (resi   35  and name HB1  ) (resi   36  and name HD1# )  3.5  3.1  3.1 !        I36    
assign (resi   35  and name HB1  ) (resi   36  and name HN   )  3.3  1.4  1.4
assign (resi   35  and name HB1  ) (resi   37  and name HN   )  4.2  2.3  1.8
assign (resi   35  and name HB1  ) (resi   38  and name HN   )  4.2  2.2  1.8
assign (resi   35  and name HB2  ) (resi   35  and name HN   )  2.9  1.0  1.0
assign (resi   35  and name HB2  ) (resi   36  and name HN   )  2.9  1.1  1.1
assign (resi   35  and name HB2  ) (resi   37  and name HN   )  3.3  1.4  1.4
assign (resi   35  and name HB2  ) (resi   39  and name HN   )  3.1  3.1  2.9
assign (resi   35  and name HN   ) (resi   36  and name HN   )  4.1  2.1  1.9
assign (resi   35  and name HN   ) (resi   38  and name HA   )  4.8  2.8  1.2
assign (resi   35  and name HN   ) (resi   38  and name HB1  )  4.7  2.7  1.3
assign (resi   35  and name HN   ) (resi   38  and name HB2  )  3.0  1.2  1.2
assign (resi   35  and name HN   ) (resi   38  and name HN   )  3.8  1.8  1.8


! I36
assign (resi   36  and name HA   ) (resi   36  and name HB   )  2.6  0.9  0.9
assign (resi   36  and name HA   ) (resi   36  and name HG11 )  2.9  1.0  1.0
assign (resi   36  and name HA   ) (resi   36  and name HG12 )  3.1  1.2  1.2
assign (resi   36  and name HA   ) (resi   36  and name HG2# )  2.3  2.2  2.2 !        I36    
assign (resi   36  and name HA   ) (resi   36  and name HD1# )  2.6  2.3  2.3 !        I36    
assign (resi   36  and name HA   ) (resi   36  and name HN   )  3.0  1.1  1.1
assign (resi   36  and name HA   ) (resi   37  and name HN   )  3.0  1.1  1.1
assign (resi   36  and name HA   ) (resi   39  and name HG2# )  3.2  2.8  2.8 !        T39    
assign (resi   36  and name HA   ) (resi   39  and name HN   )  3.5  1.5  1.5
assign (resi   36  and name HA   ) (resi   40  and name HN   )  4.2  2.2  1.8
assign (resi   36  and name HB   ) (resi   36  and name HG11 )  2.9  1.0  1.0
assign (resi   36  and name HB   ) (resi   36  and name HG12 )  2.6  0.8  0.8
assign (resi   36  and name HB   ) (resi   36  and name HG2# )  2.1  2.0  2.0 !        I36    
assign (resi   36  and name HB   ) (resi   36  and name HD1# )  2.5  2.3  2.3 !        I36    
assign (resi   36  and name HB   ) (resi   36  and name HN   )  2.7  0.9  0.9
assign (resi   36  and name HB   ) (resi   37  and name HN   )  2.8  1.0  1.0
assign (resi   36  and name HG11 ) (resi   36  and name HG12 )  2.0  0.5  0.5
assign (resi   36  and name HG11 ) (resi   36  and name HG2# )  2.3  2.2  2.2 !        I36    
assign (resi   36  and name HG11 ) (resi   36  and name HD1# )  2.1  2.1  2.1 !        I36    
assign (resi   36  and name HG11 ) (resi   36  and name HN   )  3.8  1.8  1.8
assign (resi   36  and name HG11 ) (resi   37  and name HN   )  4.7  2.8  1.3
assign (resi   36  and name HG11 ) (resi   39  and name HG2# )  3.1  4.6  4.4 !        T39    
assign (resi   36  and name HG12 ) (resi   36  and name HG2# )  2.5  2.3  2.3 !        I36    
assign (resi   36  and name HG12 ) (resi   36  and name HD1# )  2.1  2.1  2.1 !        I36    
assign (resi   36  and name HG12 ) (resi   36  and name HN   )  3.1  1.2  1.2
assign (resi   36  and name HG12 ) (resi   37  and name HN   )  4.5  2.6  1.5
assign (resi   36  and name HG2# ) (resi   36  and name HN   )  3.9  3.4  3.4 ! I36    
assign (resi   36  and name HG2# ) (resi   37  and name HA#  )  2.9  3.5  3.5 ! I36    G37    
assign (resi   36  and name HG2# ) (resi   37  and name HN   )  3.3  2.8  2.8 ! I36    
assign (resi   36  and name HG2# ) (resi   39  and name HA   )  3.4  4.9  4.1 ! I36    
assign (resi   36  and name HG2# ) (resi   40  and name HB#  )  2.7  3.9  3.9 ! I36    A40    
assign (resi   36  and name HG2# ) (resi   40  and name HN   )  4.0  3.5  3.5 ! I36    
assign (resi   36  and name HG2# ) (resi   41  and name HE#  )  2.8  5.3  5.7 ! I36    K41    
assign (resi   36  and name HD1# ) (resi   39  and name HG2# )  2.9  5.9  6.1 ! I36    T39    
assign (resi   36  and name HN   ) (resi   37  and name HN   )  3.0  1.2  1.2


! G37
assign (resi   37  and name HA#  ) (resi   37  and name HN   )  2.4  1.7  1.7 ! G37    
assign (resi   37  and name HA#  ) (resi   38  and name HN   )  3.0  2.1  2.1 ! G37    
assign (resi   37  and name HA#  ) (resi   39  and name HN   )  4.2  3.2  2.8 ! G37    
assign (resi   37  and name HA#  ) (resi   40  and name HB#  )  2.8  3.5  3.5 ! G37    A40    
assign (resi   37  and name HA#  ) (resi   40  and name HN   )  3.6  2.6  2.6 ! G37    
assign (resi   37  and name HN   ) (resi   38  and name HN   )  3.0  1.1  1.1


! D38
assign (resi   38  and name HA   ) (resi   38  and name HB1  )  2.6  0.8  0.8
assign (resi   38  and name HA   ) (resi   38  and name HB2  )  2.9  1.1  1.1
assign (resi   38  and name HA   ) (resi   38  and name HN   )  3.0  1.1  1.1
assign (resi   38  and name HA   ) (resi   39  and name HN   )  3.6  1.6  1.6
assign (resi   38  and name HA   ) (resi   40  and name HN   )  4.0  2.0  2.0
assign (resi   38  and name HA   ) (resi   41  and name HB#  )  3.1  2.2  2.2 !        K41    
assign (resi   38  and name HA   ) (resi   41  and name HD#  )  3.0  2.1  2.1 !        K41    
assign (resi   38  and name HA   ) (resi   41  and name HE#  )  3.1  2.2  2.2 !        K41    
assign (resi   38  and name HA   ) (resi   41  and name HN   )  3.1  1.2  1.2
assign (resi   38  and name HA   ) (resi   42  and name HB#  )  3.3  4.3  3.7 !        K42    
assign (resi   38  and name HA   ) (resi   42  and name HD#  )  2.7  3.7  4.3 !        K42    
assign (resi   38  and name HA   ) (resi   42  and name HN   )  3.9  1.9  1.9
assign (resi   38  and name HB1  ) (resi   38  and name HB2  )  2.1  0.5  0.5
assign (resi   38  and name HB1  ) (resi   38  and name HN   )  3.6  1.6  1.6
assign (resi   38  and name HB1  ) (resi   39  and name HN   )  3.8  1.8  1.8
assign (resi   38  and name HB1  ) (resi   41  and name HG#  )  3.6  2.6  2.6 !        K41    
assign (resi   38  and name HB2  ) (resi   38  and name HN   )  2.5  0.8  0.8
assign (resi   38  and name HB2  ) (resi   42  and name HG#  )  3.3  2.3  2.3 !        K42    
assign (resi   38  and name HN   ) (resi   39  and name HN   )  3.0  1.1  1.1
assign (resi   38  and name HN   ) (resi   40  and name HN   )  4.2  2.2  1.8


! T39
assign (resi   39  and name HA   ) (resi   39  and name HB   )  2.6  0.9  0.9
assign (resi   39  and name HA   ) (resi   39  and name HG2# )  2.2  2.1  2.1 !        T39    
assign (resi   39  and name HA   ) (resi   40  and name HN   )  2.8  1.0  1.0
assign (resi   39  and name HB   ) (resi   39  and name HG2# )  2.2  2.1  2.1 !        T39    
assign (resi   39  and name HB   ) (resi   39  and name HN   )  3.0  1.1  1.1
assign (resi   39  and name HB   ) (resi   40  and name HN   )  3.1  1.2  1.2
assign (resi   39  and name HB   ) (resi   42  and name HN   )  3.8  3.8  2.2
assign (resi   39  and name HG2# ) (resi   39  and name HN   )  4.0  3.5  3.5 ! T39    
assign (resi   39  and name HG2# ) (resi   40  and name HA   )  3.1  2.7  2.7 ! T39    
assign (resi   39  and name HG2# ) (resi   40  and name HB#  )  3.0  4.2  4.2 ! T39    A40    
assign (resi   39  and name HG2# ) (resi   40  and name HN   )  3.3  2.9  2.9 ! T39    
assign (resi   39  and name HG2# ) (resi   42  and name HB#  )  3.3  3.9  3.9 ! T39    K42    
assign (resi   39  and name HG2# ) (resi   43  and name HA   )  3.7  5.2  3.8 ! T39    
assign (resi   39  and name HG2# ) (resi   43  and name HB2  )  3.2  4.7  4.3 ! T39    
assign (resi   39  and name HG2# ) (resi   43  and name HD1# )  2.7  3.9  3.9 ! T39    L43    
assign (resi   39  and name HG2# ) (resi   43  and name HD2# )  2.1  5.1  6.9 ! T39    L43    
assign (resi   39  and name HG2# ) (resi   43  and name HN   )  4.2  3.7  3.3 ! T39    
assign (resi   39  and name HN   ) (resi   40  and name HA   )  4.5  2.5  1.5
assign (resi   39  and name HN   ) (resi   40  and name HB#  )  4.2  3.7  3.3 !        A40    
assign (resi   39  and name HN   ) (resi   40  and name HN   )  2.9  1.0  1.0
assign (resi   39  and name HN   ) (resi   41  and name HN   )  4.1  2.1  1.9
assign (resi   39  and name HN   ) (resi   42  and name HB#  )  4.3  3.3  2.7 !        K42    


! A40
assign (resi   40  and name HA   ) (resi   40  and name HB#  )  2.1  2.0  2.0 !        A40    
assign (resi   40  and name HA   ) (resi   40  and name HN   )  2.8  1.0  1.0
assign (resi   40  and name HA   ) (resi   43  and name HD1# )  2.9  4.4  4.6 !        L43    
assign (resi   40  and name HA   ) (resi   43  and name HN   )  3.3  1.3  1.3
assign (resi   40  and name HB#  ) (resi   40  and name HN   )  2.4  2.2  2.2 ! A40    
assign (resi   40  and name HB#  ) (resi   41  and name HN   )  2.5  2.3  2.3 ! A40    
assign (resi   40  and name HB#  ) (resi   42  and name HN   )  3.7  3.2  3.2 ! A40    
assign (resi   40  and name HN   ) (resi   41  and name HD#  )  3.1  4.1  3.9 !        K41    
assign (resi   40  and name HN   ) (resi   41  and name HN   )  2.7  0.9  0.9
assign (resi   40  and name HN   ) (resi   42  and name HB#  )  2.9  3.9  4.1 !        K42    
assign (resi   40  and name HN   ) (resi   43  and name HB2  )  3.3  3.3  2.7


! K41
assign (resi   41  and name HA   ) (resi   41  and name HN   )  2.7  0.9  0.9
assign (resi   41  and name HA   ) (resi   42  and name HN   )  3.2  1.3  1.3
assign (resi   41  and name HB#  ) (resi   41  and name HG#  )  2.6  2.8  2.8 ! K41    K41    
assign (resi   41  and name HG#  ) (resi   41  and name HE#  )  2.3  2.7  2.7 ! K41    K41    
assign (resi   41  and name HG#  ) (resi   43  and name HN   )  4.2  3.2  2.8 ! K41    
assign (resi   41  and name HG#  ) (resi   44  and name HN   )  4.2  3.2  2.8 ! K41    
assign (resi   41  and name HD#  ) (resi   41  and name HN   )  3.8  2.8  2.8 ! K41    
assign (resi   41  and name HN   ) (resi   42  and name HB#  )  2.8  3.8  4.2 !        K42    


! K42
assign (resi   42  and name HA   ) (resi   42  and name HB#  )  2.7  1.9  1.9 !        K42    
assign (resi   42  and name HA   ) (resi   42  and name HN   )  2.7  0.9  0.9
assign (resi   42  and name HA   ) (resi   43  and name HG   )  3.1  3.1  2.9
assign (resi   42  and name HA   ) (resi   45  and name HB1  )  3.2  1.2  1.2
assign (resi   42  and name HA   ) (resi   45  and name HN   )  3.4  1.4  1.4
assign (resi   42  and name HA   ) (resi   46  and name HN   )  4.0  2.0  2.0
assign (resi   42  and name HB#  ) (resi   42  and name HE#  )  3.0  3.1  3.1 ! K42    K42    
assign (resi   42  and name HB#  ) (resi   42  and name HN   )  2.2  1.6  1.6 ! K42    
assign (resi   42  and name HB#  ) (resi   43  and name HN   )  2.7  1.9  1.9 ! K42    
assign (resi   42  and name HB#  ) (resi   44  and name HN   )  4.3  3.3  2.7 ! K42    
assign (resi   42  and name HG#  ) (resi   42  and name HE#  )  2.6  2.8  2.8 ! K42    K42    
assign (resi   42  and name HG#  ) (resi   42  and name HN   )  3.3  2.4  2.4 ! K42    
assign (resi   42  and name HG#  ) (resi   45  and name HB1  )  3.3  4.3  3.7 ! K42    
assign (resi   42  and name HE#  ) (resi   45  and name HB2  )  2.6  3.6  4.4 ! K42    
assign (resi   42  and name HN   ) (resi   43  and name HB1  )  4.7  2.7  1.3
assign (resi   42  and name HN   ) (resi   43  and name HB2  )  3.9  1.9  1.9
assign (resi   42  and name HN   ) (resi   43  and name HN   )  2.8  1.0  1.0


! L43
assign (resi   43  and name HA   ) (resi   43  and name HD1# )  3.6  3.1  3.1 !        L43    
assign (resi   43  and name HA   ) (resi   43  and name HD2# )  3.0  2.7  2.7 !        L43    
assign (resi   43  and name HA   ) (resi   43  and name HN   )  3.1  1.2  1.2
assign (resi   43  and name HA   ) (resi   44  and name HN   )  3.9  1.9  1.9
assign (resi   43  and name HA   ) (resi   46  and name HN   )  3.3  1.4  1.4
assign (resi   43  and name HB1  ) (resi   43  and name HD1# )  2.7  2.4  2.4 !        L43    
assign (resi   43  and name HB1  ) (resi   43  and name HD2# )  2.7  2.4  2.4 !        L43    
assign (resi   43  and name HB1  ) (resi   43  and name HN   )  3.2  1.3  1.3
assign (resi   43  and name HB1  ) (resi   44  and name HN   )  3.8  1.8  1.8
assign (resi   43  and name HB1  ) (resi   47  and name HN   )  3.9  1.9  1.9
assign (resi   43  and name HB2  ) (resi   43  and name HD1# )  2.4  2.2  2.2 !        L43    
assign (resi   43  and name HB2  ) (resi   43  and name HD2# )  3.1  2.7  2.7 !        L43    
assign (resi   43  and name HB2  ) (resi   43  and name HN   )  2.6  0.9  0.9
assign (resi   43  and name HB2  ) (resi   44  and name HN   )  3.0  1.1  1.1
assign (resi   43  and name HG   ) (resi   43  and name HD2# )  2.8  2.5  2.5 !        L43    
assign (resi   43  and name HG   ) (resi   43  and name HN   )  3.3  1.4  1.4
assign (resi   43  and name HD1# ) (resi   43  and name HN   )  3.5  3.1  3.1 ! L43    
assign (resi   43  and name HD2# ) (resi   43  and name HN   )  3.9  3.4  3.4 ! L43    
assign (resi   43  and name HD2# ) (resi   44  and name HN   )  3.3  2.8  2.8 ! L43    
assign (resi   43  and name HN   ) (resi   44  and name HN   )  3.0  1.1  1.1


! G44
assign (resi   44  and name HA1  ) (resi   44  and name HN   )  2.6  0.8  0.8
assign (resi   44  and name HA2  ) (resi   44  and name HN   )  3.1  1.2  1.2
assign (resi   44  and name HA2  ) (resi   45  and name HN   )  3.7  1.8  1.8
assign (resi   44  and name HN   ) (resi   45  and name HB2  )  4.6  2.7  1.4
assign (resi   44  and name HN   ) (resi   45  and name HN   )  2.8  1.0  1.0


! E45
assign (resi   45  and name HA   ) (resi   45  and name HB1  )  2.7  0.9  0.9
assign (resi   45  and name HA   ) (resi   45  and name HB2  )  2.7  0.9  0.9
assign (resi   45  and name HA   ) (resi   45  and name HG1  )  2.7  0.9  0.9
assign (resi   45  and name HA   ) (resi   45  and name HN   )  2.7  0.9  0.9
assign (resi   45  and name HA   ) (resi   46  and name HN   )  3.0  1.1  1.1
assign (resi   45  and name HA   ) (resi   49  and name HB2  )  3.3  3.3  2.7
assign (resi   45  and name HA   ) (resi   49  and name HG1  )  3.1  1.2  1.2
assign (resi   45  and name HA   ) (resi   49  and name HN   )  3.1  1.2  1.2
assign (resi   45  and name HB1  ) (resi   45  and name HN   )  2.9  1.0  1.0
assign (resi   45  and name HB1  ) (resi   46  and name HA   )  3.0  3.0  3.0
assign (resi   45  and name HB1  ) (resi   46  and name HB2  )  3.2  3.2  2.8
assign (resi   45  and name HB1  ) (resi   46  and name HN   )  2.6  0.9  0.9
assign (resi   45  and name HB1  ) (resi   48  and name HN   )  4.3  2.3  1.7
assign (resi   45  and name HB2  ) (resi   45  and name HN   )  2.6  0.9  0.9
assign (resi   45  and name HB2  ) (resi   46  and name HN   )  3.9  1.9  1.9
assign (resi   45  and name HG2  ) (resi   45  and name HN   )  3.8  1.8  1.8
assign (resi   45  and name HN   ) (resi   46  and name HN   )  3.0  1.1  1.1


! M46
assign (resi   46  and name HA   ) (resi   46  and name HB1  )  2.7  0.9  0.9
assign (resi   46  and name HA   ) (resi   46  and name HG1  )  3.0  1.1  1.1
assign (resi   46  and name HA   ) (resi   47  and name HN   )  3.3  1.4  1.4
assign (resi   46  and name HA   ) (resi   50  and name HB1  )  3.2  3.2  2.8
assign (resi   46  and name HB1  ) (resi   46  and name HN   )  3.4  1.5  1.5
assign (resi   46  and name HB1  ) (resi   47  and name HN   )  3.7  1.7  1.7
assign (resi   46  and name HB1  ) (resi   48  and name HN   )  4.4  2.4  1.6
assign (resi   46  and name HB1  ) (resi   49  and name HN   )  3.5  3.5  2.5
assign (resi   46  and name HB1  ) (resi   50  and name HN   )  3.8  1.8  1.8
assign (resi   46  and name HB2  ) (resi   48  and name HN   )  4.2  2.2  1.8
assign (resi   46  and name HB2  ) (resi   50  and name HN   )  4.1  2.1  1.9
assign (resi   46  and name HG1  ) (resi   46  and name HN   )  3.2  1.3  1.3
assign (resi   46  and name HG1  ) (resi   47  and name HN   )  4.5  2.6  1.5
assign (resi   46  and name HG2  ) (resi   46  and name HN   )  2.8  1.0  1.0
assign (resi   46  and name HG2  ) (resi   47  and name HN   )  4.6  2.7  1.4
assign (resi   46  and name HN   ) (resi   47  and name HB#  )  4.5  3.5  2.5 !        W47    
assign (resi   46  and name HN   ) (resi   47  and name HN   )  3.0  1.1  1.1


! W47
assign (resi   47  and name HA   ) (resi   47  and name HD1  )  3.8  1.8  1.8
assign (resi   47  and name HA   ) (resi   47  and name HE3  )  2.8  1.0  1.0
assign (resi   47  and name HA   ) (resi   47  and name HN   )  3.0  1.1  1.1
assign (resi   47  and name HA   ) (resi   48  and name HN   )  3.4  1.4  1.4
assign (resi   47  and name HA   ) (resi   50  and name HN   )  3.3  1.3  1.3
assign (resi   47  and name HB#  ) (resi   47  and name HD1  )  2.7  1.9  1.9 ! W47    
assign (resi   47  and name HB#  ) (resi   47  and name HE3  )  3.8  2.8  2.8 ! W47    
assign (resi   47  and name HB#  ) (resi   47  and name HN   )  2.5  1.8  1.8 ! W47    
assign (resi   47  and name HB#  ) (resi   48  and name HN   )  2.8  1.9  1.9 ! W47    
assign (resi   47  and name HB#  ) (resi   49  and name HN   )  4.8  3.9  2.2 ! W47    
assign (resi   47  and name HD1  ) (resi   48  and name HA   )  3.1  3.1  2.9
assign (resi   47  and name HE1  ) (resi   47  and name HZ2  )  2.8  1.0  1.0
assign (resi   47  and name HE1  ) (resi   48  and name HA   )  4.2  2.2  1.8
assign (resi   47  and name HE1  ) (resi   50  and name HE22 )  2.5  2.5  3.5
assign (resi   47  and name HE3  ) (resi   47  and name HZ3  )  2.9  1.0  1.0
assign (resi   47  and name HE3  ) (resi   47  and name HH2  )  4.1  2.1  1.9
assign (resi   47  and name HZ2  ) (resi   47  and name HZ3  )  4.3  2.3  1.7
assign (resi   47  and name HZ2  ) (resi   47  and name HH2  )  2.6  0.8  0.8
assign (resi   47  and name HZ2  ) (resi   55  and name HG1  )  3.6  3.6  2.4
assign (resi   47  and name HZ2  ) (resi   55  and name HG2  )  4.1  2.1  1.9
assign (resi   47  and name HZ3  ) (resi   47  and name HH2  )  2.9  1.1  1.1
assign (resi   47  and name HZ3  ) (resi   55  and name HB2  )  3.2  1.3  1.3
assign (resi   47  and name HZ3  ) (resi   58  and name HD#  )  3.3  3.4  3.4 !        Y58    
assign (resi   47  and name HH2  ) (resi   55  and name HD#  )  3.5  2.6  2.6 !        K55    
assign (resi   47  and name HH2  ) (resi   58  and name HD#  )  3.5  5.5  4.5 !        Y58    
assign (resi   47  and name HH2  ) (resi   59  and name HA   )  4.7  2.8  1.3
assign (resi   47  and name HH2  ) (resi   59  and name HN   )  4.3  2.3  1.7
assign (resi   47  and name HN   ) (resi   48  and name HB#  )  4.5  3.5  2.5 !        S48    
assign (resi   47  and name HN   ) (resi   48  and name HN   )  2.9  1.0  1.0


! S48
assign (resi   48  and name HA   ) (resi   48  and name HN   )  2.6  0.8  0.8
assign (resi   48  and name HA   ) (resi   50  and name HN   )  3.1  1.2  1.2
assign (resi   48  and name HB#  ) (resi   49  and name HN   )  3.2  2.3  2.3 ! S48    
assign (resi   48  and name HN   ) (resi   49  and name HB2  )  4.6  2.7  1.4
assign (resi   48  and name HN   ) (resi   49  and name HN   )  2.7  0.9  0.9
assign (resi   48  and name HN   ) (resi   50  and name HE22 )  2.9  2.9  3.1
assign (resi   48  and name HN   ) (resi   50  and name HN   )  3.7  1.7  1.7


! E49
assign (resi   49  and name HA   ) (resi   49  and name HB1  )  2.8  1.0  1.0
assign (resi   49  and name HA   ) (resi   49  and name HB2  )  2.9  1.1  1.1
assign (resi   49  and name HA   ) (resi   49  and name HG1  )  3.1  1.2  1.2
assign (resi   49  and name HA   ) (resi   49  and name HG2  )  2.9  1.0  1.0
assign (resi   49  and name HA   ) (resi   49  and name HN   )  2.9  1.0  1.0
assign (resi   49  and name HB1  ) (resi   49  and name HN   )  3.4  1.5  1.5
assign (resi   49  and name HB1  ) (resi   50  and name HN   )  4.0  2.0  2.0
assign (resi   49  and name HB2  ) (resi   49  and name HN   )  2.6  0.9  0.9
assign (resi   49  and name HG2  ) (resi   49  and name HN   )  2.8  1.0  1.0
assign (resi   49  and name HN   ) (resi   50  and name HN   )  2.7  0.9  0.9


! Q50
assign (resi   50  and name HA   ) (resi   50  and name HB1  )  2.7  0.9  0.9
assign (resi   50  and name HA   ) (resi   50  and name HB2  )  2.4  0.7  0.7
assign (resi   50  and name HA   ) (resi   50  and name HG2  )  3.5  1.5  1.5
assign (resi   50  and name HA   ) (resi   50  and name HN   )  2.8  0.9  0.9
assign (resi   50  and name HA   ) (resi   51  and name HN   )  2.3  0.7  0.7
assign (resi   50  and name HA   ) (resi   53  and name HB1  )  3.6  3.6  2.4
assign (resi   50  and name HA   ) (resi   53  and name HN   )  3.8  1.8  1.8
assign (resi   50  and name HA   ) (resi   54  and name HN   )  4.0  2.0  2.0
assign (resi   50  and name HB1  ) (resi   50  and name HN   )  2.8  1.0  1.0
assign (resi   50  and name HB1  ) (resi   51  and name HN   )  4.1  2.1  1.9
assign (resi   50  and name HB2  ) (resi   50  and name HN   )  3.6  1.6  1.6
assign (resi   50  and name HB2  ) (resi   51  and name HN   )  3.6  1.6  1.6
assign (resi   50  and name HB2  ) (resi   54  and name HB1  )  3.3  1.4  1.4
assign (resi   50  and name HB2  ) (resi   55  and name HN   )  3.6  1.7  1.7
assign (resi   50  and name HG1  ) (resi   50  and name HG2  )  2.4  0.7  0.7
assign (resi   50  and name HG1  ) (resi   50  and name HN   )  3.3  1.3  1.3
assign (resi   50  and name HG2  ) (resi   50  and name HN   )  2.7  0.9  0.9
assign (resi   50  and name HG2  ) (resi   54  and name HN   )  4.7  2.8  1.3
assign (resi   50  and name HE21 ) (resi   50  and name HN   )  3.9  1.9  1.9
assign (resi   50  and name HE22 ) (resi   50  and name HN   )  3.2  3.2  2.8


! S51
assign (resi   51  and name HA   ) (resi   51  and name HN   )  2.7  0.9  0.9
assign (resi   51  and name HA   ) (resi   52  and name HB#  )  3.2  2.8  2.8 !        A52    
assign (resi   51  and name HA   ) (resi   52  and name HN   )  2.4  0.7  0.7
assign (resi   51  and name HA   ) (resi   53  and name HN   )  3.4  1.5  1.5
assign (resi   51  and name HA   ) (resi   54  and name HN   )  4.1  2.1  1.9
assign (resi   51  and name HB#  ) (resi   51  and name HN   )  3.0  2.1  2.1 ! S51    
assign (resi   51  and name HB#  ) (resi   52  and name HA   )  3.0  4.0  4.0 ! S51    
assign (resi   51  and name HB#  ) (resi   52  and name HN   )  3.4  2.4  2.4 ! S51    
assign (resi   51  and name HN   ) (resi   52  and name HN   )  3.7  1.7  1.7
assign (resi   51  and name HN   ) (resi   54  and name HB1  )  3.7  1.7  1.7
assign (resi   51  and name HN   ) (resi   54  and name HN   )  3.5  1.5  1.5


! A52
assign (resi   52  and name HA   ) (resi   52  and name HB#  )  2.0  2.0  2.0 !        A52    
assign (resi   52  and name HA   ) (resi   52  and name HN   )  2.7  0.9  0.9
assign (resi   52  and name HA   ) (resi   53  and name HN   )  3.5  1.5  1.5
assign (resi   52  and name HA   ) (resi   54  and name HN   )  3.9  1.9  1.9
assign (resi   52  and name HA   ) (resi   55  and name HB2  )  3.1  1.2  1.2
assign (resi   52  and name HA   ) (resi   55  and name HN   )  3.4  1.4  1.4
assign (resi   52  and name HB#  ) (resi   52  and name HN   )  2.6  2.3  2.3 ! A52    
assign (resi   52  and name HB#  ) (resi   53  and name HA   )  3.0  2.6  2.6 ! A52    
assign (resi   52  and name HB#  ) (resi   53  and name HN   )  2.6  2.4  2.4 ! A52    
assign (resi   52  and name HB#  ) (resi   55  and name HN   )  4.2  3.7  3.3 ! A52    
assign (resi   52  and name HB#  ) (resi   56  and name HG2  )  3.1  2.7  2.7 ! A52    
assign (resi   52  and name HB#  ) (resi   56  and name HN   )  3.9  3.4  3.4 ! A52    
assign (resi   52  and name HN   ) (resi   53  and name HB1  )  4.5  2.6  1.5
assign (resi   52  and name HN   ) (resi   53  and name HN   )  2.9  1.1  1.1


! K53
assign (resi   53  and name HA   ) (resi   53  and name HB1  )  2.7  0.9  0.9
assign (resi   53  and name HA   ) (resi   53  and name HB2  )  2.7  0.9  0.9
assign (resi   53  and name HA   ) (resi   53  and name HN   )  2.7  0.9  0.9
assign (resi   53  and name HA   ) (resi   54  and name HN   )  3.2  1.3  1.3
assign (resi   53  and name HA   ) (resi   55  and name HN   )  3.9  1.9  1.9
assign (resi   53  and name HA   ) (resi   56  and name HB#  )  2.9  2.0  2.0 !        Q56    
assign (resi   53  and name HA   ) (resi   56  and name HG1  )  2.7  0.9  0.9
assign (resi   53  and name HA   ) (resi   56  and name HG2  )  2.8  1.0  1.0
assign (resi   53  and name HA   ) (resi   56  and name HN   )  3.2  1.3  1.3
assign (resi   53  and name HB1  ) (resi   53  and name HN   )  2.7  0.9  0.9
assign (resi   53  and name HB1  ) (resi   54  and name HN   )  2.9  1.1  1.1
assign (resi   53  and name HB2  ) (resi   53  and name HN   )  2.5  0.8  0.8
assign (resi   53  and name HB2  ) (resi   54  and name HN   )  3.3  1.3  1.3
assign (resi   53  and name HB2  ) (resi   55  and name HN   )  3.8  1.8  1.8
assign (resi   53  and name HG#  ) (resi   54  and name HN   )  3.6  2.6  2.6 ! K53    
assign (resi   53  and name HG#  ) (resi   56  and name HB#  )  2.6  4.6  5.4 ! K53    Q56    
assign (resi   53  and name HD#  ) (resi   53  and name HN   )  3.8  2.8  2.8 ! K53    
assign (resi   53  and name HD#  ) (resi   54  and name HN   )  3.5  2.5  2.5 ! K53    
assign (resi   53  and name HN   ) (resi   54  and name HN   )  2.7  0.9  0.9
assign (resi   53  and name HN   ) (resi   55  and name HN   )  4.1  2.1  1.9


! D54
assign (resi   54  and name HA   ) (resi   54  and name HB1  )  2.8  1.0  1.0
assign (resi   54  and name HA   ) (resi   54  and name HB2  )  3.0  1.1  1.1
assign (resi   54  and name HA   ) (resi   54  and name HN   )  2.9  1.1  1.1
assign (resi   54  and name HA   ) (resi   55  and name HN   )  3.3  1.4  1.4
assign (resi   54  and name HA   ) (resi   56  and name HN   )  4.2  2.2  1.8
assign (resi   54  and name HA   ) (resi   58  and name HB1  )  3.4  3.4  2.6
assign (resi   54  and name HA   ) (resi   58  and name HB2  )  3.0  3.0  3.0
assign (resi   54  and name HB1  ) (resi   54  and name HB2  )  2.4  0.7  0.7
assign (resi   54  and name HB1  ) (resi   54  and name HN   )  3.4  1.5  1.5
assign (resi   54  and name HB1  ) (resi   55  and name HN   )  3.6  1.6  1.6
assign (resi   54  and name HB2  ) (resi   54  and name HN   )  2.8  1.0  1.0
assign (resi   54  and name HB2  ) (resi   55  and name HN   )  3.5  1.5  1.5
assign (resi   54  and name HN   ) (resi   55  and name HN   )  2.7  0.9  0.9


! K55
assign (resi   55  and name HA   ) (resi   55  and name HN   )  2.9  1.0  1.0
assign (resi   55  and name HA   ) (resi   56  and name HN   )  2.7  0.9  0.9
assign (resi   55  and name HA   ) (resi   58  and name HE#  )  2.6  5.6  6.4 !        Y58    
assign (resi   55  and name HA   ) (resi   58  and name HN   )  3.3  1.3  1.3
assign (resi   55  and name HA   ) (resi   59  and name HN   )  3.1  1.2  1.2
assign (resi   55  and name HB1  ) (resi   55  and name HN   )  2.6  0.9  0.9
assign (resi   55  and name HB1  ) (resi   56  and name HN   )  3.0  1.1  1.1
assign (resi   55  and name HB2  ) (resi   59  and name HB1  )  2.2  2.2  3.8
assign (resi   55  and name HG1  ) (resi   55  and name HN   )  3.5  1.6  1.6
assign (resi   55  and name HG2  ) (resi   55  and name HN   )  4.0  2.0  2.0
assign (resi   55  and name HN   ) (resi   56  and name HB#  )  4.4  3.5  2.6 !        Q56    
assign (resi   55  and name HN   ) (resi   56  and name HN   )  2.5  0.8  0.8


! Q56
assign (resi   56  and name HA   ) (resi   56  and name HB#  )  2.9  2.0  2.0 !        Q56    
assign (resi   56  and name HA   ) (resi   56  and name HG1  )  3.1  1.2  1.2
assign (resi   56  and name HA   ) (resi   56  and name HG2  )  2.6  0.8  0.8
assign (resi   56  and name HA   ) (resi   59  and name HB2  )  3.6  3.6  2.4
assign (resi   56  and name HA   ) (resi   59  and name HG1  )  2.9  1.0  1.0
assign (resi   56  and name HA   ) (resi   59  and name HG2  )  2.9  1.1  1.1
assign (resi   56  and name HB#  ) (resi   56  and name HG1  )  2.8  2.0  2.0 ! Q56    
assign (resi   56  and name HB#  ) (resi   56  and name HG2  )  2.3  1.7  1.7 ! Q56    
assign (resi   56  and name HB#  ) (resi   56  and name HN   )  2.4  1.7  1.7 ! Q56    
assign (resi   56  and name HB#  ) (resi   57  and name HD#  )  2.5  2.8  2.8 ! Q56    P57    
assign (resi   56  and name HG1  ) (resi   56  and name HG2  )  2.0  0.5  0.5
assign (resi   56  and name HG1  ) (resi   57  and name HD#  )  3.6  2.7  2.7 !        P57    
assign (resi   56  and name HG2  ) (resi   56  and name HN   )  2.9  1.0  1.0
assign (resi   56  and name HG2  ) (resi   57  and name HD#  )  3.7  2.7  2.7 !        P57    
assign (resi   56  and name HN   ) (resi   57  and name HG#  )  4.5  3.5  2.5 !        P57    
assign (resi   56  and name HN   ) (resi   57  and name HD#  )  2.6  1.9  1.9 !        P57    
assign (resi   56  and name HN   ) (resi   58  and name HD#  )  4.8  4.9  3.2 !        Y58    


! P57
assign (resi   57  and name HA   ) (resi   57  and name HB1  )  2.3  0.7  0.7
assign (resi   57  and name HA   ) (resi   57  and name HB2  )  2.9  1.0  1.0
assign (resi   57  and name HA   ) (resi   57  and name HG#  )  2.9  2.0  2.0 !        P57    
assign (resi   57  and name HA   ) (resi   58  and name HD#  )  3.5  3.5  3.5 !        Y58    
assign (resi   57  and name HA   ) (resi   60  and name HB1  )  3.7  1.7  1.7
assign (resi   57  and name HA   ) (resi   60  and name HB2  )  3.4  1.5  1.5
assign (resi   57  and name HA   ) (resi   60  and name HN   )  3.3  1.4  1.4
assign (resi   57  and name HB1  ) (resi   57  and name HB2  )  2.1  0.6  0.6
assign (resi   57  and name HB1  ) (resi   57  and name HG#  )  2.8  2.0  2.0 !        P57    
assign (resi   57  and name HB1  ) (resi   58  and name HN   )  4.0  2.0  2.0
assign (resi   57  and name HB1  ) (resi   61  and name HD#  )  3.3  4.3  3.7 !        K61    
assign (resi   57  and name HB2  ) (resi   57  and name HG#  )  2.7  1.9  1.9 !        P57    
assign (resi   57  and name HB2  ) (resi   58  and name HN   )  3.2  1.3  1.3
assign (resi   57  and name HG#  ) (resi   57  and name HD#  )  2.6  2.8  2.8 ! P57    P57    
assign (resi   57  and name HG#  ) (resi   58  and name HD#  )  3.5  4.5  4.5 ! P57    Y58    
assign (resi   57  and name HG#  ) (resi   58  and name HE#  )  3.2  5.3  5.3 ! P57    Y58    
assign (resi   57  and name HG#  ) (resi   58  and name HN   )  3.6  2.6  2.6 ! P57    
assign (resi   57  and name HD#  ) (resi   58  and name HN   )  2.6  1.8  1.8 ! P57    
assign (resi   57  and name HD#  ) (resi   59  and name HG2  )  2.7  3.7  4.3 ! P57    


! Y58
assign (resi   58  and name HA   ) (resi   58  and name HD#  )  2.7  2.9  2.9 !        Y58    
assign (resi   58  and name HA   ) (resi   58  and name HE#  )  3.7  4.7  4.7 !        Y58    
assign (resi   58  and name HA   ) (resi   58  and name HN   )  2.7  0.9  0.9
assign (resi   58  and name HA   ) (resi   59  and name HN   )  2.8  1.0  1.0
assign (resi   58  and name HA   ) (resi   61  and name HN   )  3.6  1.6  1.6
assign (resi   58  and name HB1  ) (resi   58  and name HD#  )  2.9  3.0  3.0 !        Y58    
assign (resi   58  and name HB1  ) (resi   58  and name HE#  )  3.4  4.5  4.5 !        Y58    
assign (resi   58  and name HB1  ) (resi   58  and name HN   )  4.0  2.0  2.0
assign (resi   58  and name HB1  ) (resi   59  and name HN   )  3.9  1.9  1.9
assign (resi   58  and name HB2  ) (resi   58  and name HD#  )  3.1  3.2  3.2 !        Y58    
assign (resi   58  and name HB2  ) (resi   58  and name HE#  )  4.1  5.1  4.9 !        Y58    
assign (resi   58  and name HB2  ) (resi   58  and name HN   )  2.7  0.9  0.9
assign (resi   58  and name HB2  ) (resi   59  and name HN   )  3.0  1.1  1.1
assign (resi   58  and name HD#  ) (resi   58  and name HE#  )  2.1  5.5  5.5 ! Y58    Y58    
assign (resi   58  and name HD#  ) (resi   58  and name HN   )  2.4  2.7  2.7 ! Y58    
assign (resi   58  and name HD#  ) (resi   59  and name HN   )  4.4  4.4  3.6 ! Y58    
assign (resi   58  and name HD#  ) (resi   60  and name HG2  )  4.0  4.0  4.0 ! Y58    
assign (resi   58  and name HN   ) (resi   59  and name HG1  )  4.0  2.0  2.0
assign (resi   58  and name HN   ) (resi   59  and name HN   )  2.5  0.8  0.8
assign (resi   58  and name HN   ) (resi   60  and name HN   )  3.7  1.7  1.7
assign (resi   58  and name HN   ) (resi   61  and name HG#  )  3.9  2.9  2.9 !        K61    


! E59
assign (resi   59  and name HA   ) (resi   59  and name HB1  )  2.5  0.8  0.8
assign (resi   59  and name HA   ) (resi   59  and name HG1  )  3.4  1.5  1.5
assign (resi   59  and name HA   ) (resi   59  and name HG2  )  3.7  1.7  1.7
assign (resi   59  and name HA   ) (resi   62  and name HN   )  3.0  1.1  1.1
assign (resi   59  and name HB1  ) (resi   61  and name HG#  )  2.6  3.6  4.4 !        K61    
assign (resi   59  and name HB2  ) (resi   59  and name HN   )  3.7  1.7  1.7
assign (resi   59  and name HG1  ) (resi   59  and name HG2  )  2.1  0.5  0.5
assign (resi   59  and name HG1  ) (resi   59  and name HN   )  3.4  1.4  1.4
assign (resi   59  and name HG2  ) (resi   59  and name HN   )  2.4  2.4  3.6
assign (resi   59  and name HN   ) (resi   60  and name HN   )  2.8  1.0  1.0
assign (resi   59  and name HN   ) (resi   61  and name HN   )  4.0  2.0  2.0
assign (resi   59  and name HN   ) (resi   62  and name HN   )  4.0  2.0  2.0


! Q60
assign (resi   60  and name HA   ) (resi   60  and name HB1  )  2.4  0.7  0.7
assign (resi   60  and name HA   ) (resi   60  and name HB2  )  3.0  1.1  1.1
assign (resi   60  and name HA   ) (resi   60  and name HG1  )  3.0  1.1  1.1
assign (resi   60  and name HA   ) (resi   60  and name HG2  )  2.8  1.0  1.0
assign (resi   60  and name HA   ) (resi   60  and name HN   )  2.7  0.9  0.9
assign (resi   60  and name HA   ) (resi   63  and name HB#  )  2.3  2.2  2.2 !        A63    
assign (resi   60  and name HA   ) (resi   63  and name HN   )  2.8  1.0  1.0
assign (resi   60  and name HB1  ) (resi   60  and name HB2  )  2.2  0.6  0.6
assign (resi   60  and name HB1  ) (resi   60  and name HG2  )  2.3  0.7  0.7
assign (resi   60  and name HB1  ) (resi   60  and name HN   )  2.9  1.1  1.1
assign (resi   60  and name HB1  ) (resi   61  and name HN   )  3.4  1.4  1.4
assign (resi   60  and name HB1  ) (resi   62  and name HN   )  4.5  2.5  1.5
assign (resi   60  and name HB2  ) (resi   60  and name HG2  )  2.7  0.9  0.9
assign (resi   60  and name HB2  ) (resi   60  and name HN   )  2.9  1.0  1.0
assign (resi   60  and name HB2  ) (resi   61  and name HN   )  2.9  1.0  1.0
assign (resi   60  and name HB2  ) (resi   63  and name HB#  )  3.1  2.7  2.7 !        A63    
assign (resi   60  and name HB2  ) (resi   63  and name HN   )  3.8  1.8  1.8
assign (resi   60  and name HG1  ) (resi   60  and name HN   )  3.0  1.1  1.1
assign (resi   60  and name HG1  ) (resi   61  and name HG#  )  3.3  2.4  2.4 !        K61    
assign (resi   60  and name HG1  ) (resi   62  and name HB#  )  2.5  4.0  5.0 !        A62    
assign (resi   60  and name HG1  ) (resi   63  and name HB#  )  3.3  4.8  4.2 !        A63    
assign (resi   60  and name HG2  ) (resi   60  and name HN   )  2.5  0.8  0.8
assign (resi   60  and name HG2  ) (resi   61  and name HN   )  4.0  2.0  2.0
assign (resi   60  and name HG2  ) (resi   63  and name HB#  )  2.4  3.9  5.1 !        A63    
assign (resi   60  and name HN   ) (resi   61  and name HN   )  2.7  0.9  0.9
assign (resi   60  and name HN   ) (resi   63  and name HB#  )  2.8  4.3  4.7 !        A63    


! K61
assign (resi   61  and name HA   ) (resi   61  and name HG#  )  3.0  2.1  2.1 !        K61    
assign (resi   61  and name HA   ) (resi   61  and name HN   )  2.7  0.9  0.9
assign (resi   61  and name HA   ) (resi   62  and name HN   )  3.2  1.3  1.3
assign (resi   61  and name HA   ) (resi   63  and name HN   )  3.4  1.5  1.5
assign (resi   61  and name HA   ) (resi   64  and name HN   )  3.0  1.1  1.1
assign (resi   61  and name HA   ) (resi   65  and name HN   )  3.7  1.7  1.7
assign (resi   61  and name HB#  ) (resi   61  and name HN   )  2.5  1.8  1.8 ! K61    
assign (resi   61  and name HB#  ) (resi   62  and name HN   )  3.3  2.4  2.4 ! K61    
assign (resi   61  and name HG#  ) (resi   61  and name HN   )  3.3  2.3  2.3 ! K61    
assign (resi   61  and name HG#  ) (resi   62  and name HN   )  3.4  2.5  2.5 ! K61    
assign (resi   61  and name HG#  ) (resi   65  and name HD1# )  2.5  5.0  6.0 ! K61    L65    
assign (resi   61  and name HD#  ) (resi   61  and name HN   )  4.4  3.4  2.6 ! K61    
assign (resi   61  and name HE#  ) (resi   65  and name HD2# )  2.3  4.8  6.2 ! K61    L65    
assign (resi   61  and name HN   ) (resi   62  and name HB#  )  3.6  3.1  3.1 !        A62    
assign (resi   61  and name HN   ) (resi   62  and name HN   )  2.7  0.9  0.9
assign (resi   61  and name HN   ) (resi   63  and name HN   )  3.9  1.9  1.9


! A62
assign (resi   62  and name HA   ) (resi   62  and name HB#  )  2.1  2.1  2.1 !        A62    
assign (resi   62  and name HA   ) (resi   62  and name HN   )  2.8  1.0  1.0
assign (resi   62  and name HA   ) (resi   63  and name HN   )  3.6  1.6  1.6
assign (resi   62  and name HA   ) (resi   64  and name HG#  )  3.2  4.2  3.8 !        K64    
assign (resi   62  and name HA   ) (resi   64  and name HN   )  3.8  1.8  1.8
assign (resi   62  and name HA   ) (resi   65  and name HB1  )  3.3  1.3  1.3
assign (resi   62  and name HA   ) (resi   65  and name HD2# )  3.1  2.7  2.7 !        L65    
assign (resi   62  and name HA   ) (resi   65  and name HN   )  3.4  1.4  1.4
assign (resi   62  and name HB#  ) (resi   62  and name HN   )  2.3  2.1  2.1 ! A62    
assign (resi   62  and name HB#  ) (resi   65  and name HD1# )  3.2  4.3  4.3 ! A62    L65    
assign (resi   62  and name HB#  ) (resi   65  and name HD2# )  3.4  4.5  4.5 ! A62    L65    
assign (resi   62  and name HB#  ) (resi   65  and name HN   )  3.8  3.3  3.3 ! A62    
assign (resi   62  and name HN   ) (resi   63  and name HN   )  2.6  0.9  0.9
assign (resi   62  and name HN   ) (resi   64  and name HB1  )  2.5  2.5  3.5
assign (resi   62  and name HN   ) (resi   64  and name HN   )  3.7  1.7  1.7


! A63
assign (resi   63  and name HA   ) (resi   63  and name HB#  )  2.2  2.1  2.1 !        A63    
assign (resi   63  and name HA   ) (resi   63  and name HN   )  2.7  0.9  0.9
assign (resi   63  and name HA   ) (resi   66  and name HB1  )  2.6  0.9  0.9
assign (resi   63  and name HA   ) (resi   66  and name HN   )  3.0  1.1  1.1
assign (resi   63  and name HB#  ) (resi   63  and name HN   )  2.2  2.1  2.1 ! A63    
assign (resi   63  and name HB#  ) (resi   64  and name HN   )  2.5  2.3  2.3 ! A63    
assign (resi   63  and name HB#  ) (resi   66  and name HB1  )  3.0  4.5  4.5 ! A63    
assign (resi   63  and name HB#  ) (resi   67  and name HN   )  3.8  3.3  3.3 ! A63    
assign (resi   63  and name HN   ) (resi   64  and name HB1  )  4.3  2.3  1.7
assign (resi   63  and name HN   ) (resi   64  and name HN   )  2.6  0.8  0.8


! K64
assign (resi   64  and name HA   ) (resi   64  and name HB1  )  2.8  1.0  1.0
assign (resi   64  and name HA   ) (resi   64  and name HB2  )  2.5  0.8  0.8
assign (resi   64  and name HA   ) (resi   64  and name HD#  )  2.6  1.8  1.8 !        K64    
assign (resi   64  and name HA   ) (resi   64  and name HN   )  2.6  0.8  0.8
assign (resi   64  and name HA   ) (resi   67  and name HB#  )  2.6  1.9  1.9 !        E67    
assign (resi   64  and name HA   ) (resi   67  and name HN   )  2.8  1.0  1.0
assign (resi   64  and name HB1  ) (resi   64  and name HN   )  2.9  1.1  1.1
assign (resi   64  and name HB1  ) (resi   65  and name HN   )  2.6  0.8  0.8
assign (resi   64  and name HB2  ) (resi   64  and name HN   )  2.4  0.7  0.7
assign (resi   64  and name HB2  ) (resi   65  and name HG   )  2.1  2.1  3.9
assign (resi   64  and name HB2  ) (resi   65  and name HN   )  2.7  0.9  0.9
assign (resi   64  and name HN   ) (resi   65  and name HD2# )  4.3  3.8  3.2 !        L65    
assign (resi   64  and name HN   ) (resi   65  and name HN   )  2.9  1.1  1.1
assign (resi   64  and name HN   ) (resi   66  and name HN   )  3.2  1.3  1.3
assign (resi   64  and name HN   ) (resi   67  and name HB#  )  2.9  3.9  4.1 !        E67    


! L65
assign (resi   65  and name HA   ) (resi   65  and name HB1  )  2.9  1.0  1.0
assign (resi   65  and name HA   ) (resi   65  and name HD1# )  2.8  2.5  2.5 !        L65    
assign (resi   65  and name HA   ) (resi   65  and name HD2# )  3.5  3.1  3.1 !        L65    
assign (resi   65  and name HA   ) (resi   65  and name HN   )  2.8  1.0  1.0
assign (resi   65  and name HA   ) (resi   68  and name HB#  )  3.0  2.1  2.1 !        K68    
assign (resi   65  and name HA   ) (resi   68  and name HN   )  2.9  1.1  1.1
assign (resi   65  and name HA   ) (resi   69  and name HN   )  3.2  1.3  1.3
assign (resi   65  and name HB1  ) (resi   65  and name HD1# )  2.7  2.4  2.4 !        L65    
assign (resi   65  and name HB1  ) (resi   65  and name HD2# )  2.3  2.2  2.2 !        L65    
assign (resi   65  and name HB1  ) (resi   65  and name HN   )  3.4  1.4  1.4
assign (resi   65  and name HB2  ) (resi   65  and name HD2# )  2.9  2.6  2.6 !        L65    
assign (resi   65  and name HG   ) (resi   65  and name HD1# )  2.9  2.5  2.5 !        L65    
assign (resi   65  and name HG   ) (resi   65  and name HD2# )  2.7  2.4  2.4 !        L65    
assign (resi   65  and name HG   ) (resi   68  and name HN   )  4.0  2.0  2.0
assign (resi   65  and name HG   ) (resi   69  and name HN   )  3.5  3.5  2.5
assign (resi   65  and name HD1# ) (resi   66  and name HA   )  2.5  4.0  5.0 ! L65    
assign (resi   65  and name HD1# ) (resi   68  and name HN   )  4.5  4.0  3.0 ! L65    
assign (resi   65  and name HD2# ) (resi   65  and name HN   )  3.4  2.9  2.9 ! L65    
assign (resi   65  and name HD2# ) (resi   66  and name HA   )  2.7  4.2  4.8 ! L65    
assign (resi   65  and name HN   ) (resi   66  and name HN   )  2.8  1.0  1.0
assign (resi   65  and name HN   ) (resi   67  and name HN   )  3.6  1.6  1.6


! K66
assign (resi   66  and name HA   ) (resi   66  and name HD#  )  3.6  2.6  2.6 !        K66    
assign (resi   66  and name HA   ) (resi   66  and name HN   )  3.0  1.1  1.1
assign (resi   66  and name HA   ) (resi   67  and name HN   )  2.9  1.1  1.1
assign (resi   66  and name HB1  ) (resi   66  and name HE#  )  3.1  2.2  2.2 !        K66    
assign (resi   66  and name HB1  ) (resi   66  and name HN   )  2.6  0.8  0.8
assign (resi   66  and name HB1  ) (resi   67  and name HN   )  2.3  2.3  3.7
assign (resi   66  and name HB2  ) (resi   66  and name HG1  )  2.4  0.7  0.7
assign (resi   66  and name HB2  ) (resi   66  and name HN   )  2.6  0.9  0.9
assign (resi   66  and name HB2  ) (resi   70  and name HN   )  3.4  3.4  2.6
assign (resi   66  and name HG1  ) (resi   66  and name HN   )  4.2  2.2  1.8
assign (resi   66  and name HG1  ) (resi   67  and name HN   )  3.7  1.7  1.7
assign (resi   66  and name HG1  ) (resi   68  and name HN   )  3.6  3.6  2.4
assign (resi   66  and name HG1  ) (resi   70  and name HN   )  3.7  1.7  1.7
assign (resi   66  and name HG2  ) (resi   66  and name HE#  )  2.3  1.6  1.6 !        K66    
assign (resi   66  and name HG2  ) (resi   66  and name HN   )  3.8  1.8  1.8
assign (resi   66  and name HG2  ) (resi   67  and name HN   )  3.2  1.3  1.3
assign (resi   66  and name HN   ) (resi   67  and name HB#  )  4.5  3.5  2.5 !        E67    
assign (resi   66  and name HN   ) (resi   67  and name HN   )  2.7  0.9  0.9
assign (resi   66  and name HN   ) (resi   68  and name HN   )  4.0  2.0  2.0


! E67
assign (resi   67  and name HA   ) (resi   67  and name HG1  )  2.5  0.8  0.8
assign (resi   67  and name HA   ) (resi   67  and name HG2  )  2.6  0.8  0.8
assign (resi   67  and name HA   ) (resi   67  and name HN   )  2.6  0.8  0.8
assign (resi   67  and name HA   ) (resi   70  and name HB2  )  2.3  0.7  0.7
assign (resi   67  and name HA   ) (resi   70  and name HN   )  3.1  1.2  1.2
assign (resi   67  and name HA   ) (resi   72  and name HB1  )  3.3  3.3  2.7
assign (resi   67  and name HB#  ) (resi   67  and name HG2  )  2.4  1.7  1.7 ! E67    
assign (resi   67  and name HB#  ) (resi   67  and name HN   )  2.5  1.8  1.8 ! E67    
assign (resi   67  and name HB#  ) (resi   68  and name HN   )  2.8  2.0  2.0 ! E67    
assign (resi   67  and name HB#  ) (resi   71  and name HE#  )  2.6  2.9  2.9 ! E67    K71    
assign (resi   67  and name HG1  ) (resi   71  and name HE#  )  3.3  2.3  2.3 !        K71    
assign (resi   67  and name HN   ) (resi   68  and name HN   )  2.4  0.7  0.7
assign (resi   67  and name HN   ) (resi   70  and name HG1  )  3.3  3.3  2.7
assign (resi   67  and name HN   ) (resi   70  and name HN   )  3.5  1.6  1.6


! K68
assign (resi   68  and name HA   ) (resi   68  and name HN   )  2.6  0.8  0.8
assign (resi   68  and name HA   ) (resi   69  and name HN   )  2.8  1.0  1.0
assign (resi   68  and name HA   ) (resi   72  and name HN   )  3.3  1.3  1.3
assign (resi   68  and name HB#  ) (resi   68  and name HN   )  2.3  1.7  1.7 ! K68    
assign (resi   68  and name HB#  ) (resi   69  and name HN   )  2.6  1.8  1.8 ! K68    
assign (resi   68  and name HN   ) (resi   69  and name HA   )  4.4  2.5  1.6
assign (resi   68  and name HN   ) (resi   69  and name HN   )  2.6  0.8  0.8
assign (resi   68  and name HN   ) (resi   70  and name HN   )  4.2  2.3  1.8
assign (resi   68  and name HN   ) (resi   72  and name HB1  )  3.1  3.1  2.9


! Y69
assign (resi   69  and name HA   ) (resi   69  and name HB1  )  3.2  1.3  1.3
assign (resi   69  and name HA   ) (resi   69  and name HB2  )  2.8  1.0  1.0
assign (resi   69  and name HA   ) (resi   69  and name HD#  )  2.6  2.9  2.9 !        Y69    
assign (resi   69  and name HA   ) (resi   69  and name HE#  )  4.3  5.3  4.7 !        Y69    
assign (resi   69  and name HA   ) (resi   69  and name HN   )  2.8  1.0  1.0
assign (resi   69  and name HA   ) (resi   70  and name HN   )  3.3  1.4  1.4
assign (resi   69  and name HA   ) (resi   71  and name HN   )  3.9  1.9  1.9
assign (resi   69  and name HA   ) (resi   73  and name HN   )  3.1  1.2  1.2
assign (resi   69  and name HB1  ) (resi   69  and name HE#  )  4.2  5.2  4.8 !        Y69    
assign (resi   69  and name HB1  ) (resi   69  and name HN   )  2.5  0.8  0.8
assign (resi   69  and name HB1  ) (resi   70  and name HN   )  2.9  1.0  1.0
assign (resi   69  and name HB2  ) (resi   69  and name HD#  )  3.0  3.1  3.1 !        Y69    
assign (resi   69  and name HB2  ) (resi   69  and name HE#  )  4.1  5.1  4.9 !        Y69    
assign (resi   69  and name HB2  ) (resi   69  and name HN   )  2.8  1.0  1.0
assign (resi   69  and name HB2  ) (resi   70  and name HN   )  3.9  1.9  1.9
assign (resi   69  and name HD#  ) (resi   69  and name HE#  )  2.0  5.5  5.5 ! Y69    Y69    
assign (resi   69  and name HD#  ) (resi   69  and name HN   )  4.0  4.0  4.0 ! Y69    
assign (resi   69  and name HD#  ) (resi   70  and name HG1  )  3.0  3.1  3.1 ! Y69    
assign (resi   69  and name HD#  ) (resi   70  and name HN   )  3.6  3.6  3.6 ! Y69    
assign (resi   69  and name HD#  ) (resi   73  and name HD1# )  3.2  4.7  4.7 ! Y69    I73    
assign (resi   69  and name HE#  ) (resi   70  and name HG1  )  3.9  4.9  4.9 ! Y69    
assign (resi   69  and name HE#  ) (resi   73  and name HB   )  3.2  4.3  4.3 ! Y69    
assign (resi   69  and name HE#  ) (resi   73  and name HG1# )  3.5  5.5  5.5 ! Y69    I73    
assign (resi   69  and name HE#  ) (resi   73  and name HD1# )  2.5  5.3  5.3 ! Y69    I73    
assign (resi   69  and name HN   ) (resi   70  and name HG2  )  4.5  2.5  1.5
assign (resi   69  and name HN   ) (resi   70  and name HN   )  2.8  0.9  0.9
assign (resi   69  and name HN   ) (resi   72  and name HB2  )  2.5  2.5  3.5


! E70
assign (resi   70  and name HA   ) (resi   70  and name HB1  )  2.9  1.0  1.0
assign (resi   70  and name HA   ) (resi   70  and name HB2  )  2.9  1.1  1.1
assign (resi   70  and name HA   ) (resi   70  and name HG1  )  3.4  1.5  1.5
assign (resi   70  and name HA   ) (resi   70  and name HG2  )  2.8  1.0  1.0
assign (resi   70  and name HA   ) (resi   70  and name HN   )  2.9  1.1  1.1
assign (resi   70  and name HA   ) (resi   71  and name HN   )  3.6  1.6  1.6
assign (resi   70  and name HA   ) (resi   73  and name HG2# )  2.3  2.2  2.2 !        I73    
assign (resi   70  and name HA   ) (resi   73  and name HD1# )  4.0  3.5  3.5 !        I73    
assign (resi   70  and name HA   ) (resi   73  and name HN   )  3.8  1.8  1.8
assign (resi   70  and name HA   ) (resi   74  and name HB#  )  3.6  3.1  3.1 !        A74    
assign (resi   70  and name HA   ) (resi   74  and name HN   )  4.8  2.8  1.2
assign (resi   70  and name HB1  ) (resi   70  and name HG1  )  3.2  1.3  1.3
assign (resi   70  and name HB1  ) (resi   70  and name HG2  )  3.1  1.2  1.2
assign (resi   70  and name HB1  ) (resi   70  and name HN   )  3.6  1.6  1.6
assign (resi   70  and name HB1  ) (resi   71  and name HN   )  3.0  1.1  1.1
assign (resi   70  and name HB1  ) (resi   73  and name HG2# )  3.7  3.2  3.2 !        I73    
assign (resi   70  and name HB2  ) (resi   70  and name HG1  )  2.7  0.9  0.9
assign (resi   70  and name HB2  ) (resi   70  and name HG2  )  3.1  1.2  1.2
assign (resi   70  and name HB2  ) (resi   70  and name HN   )  2.6  0.8  0.8
assign (resi   70  and name HB2  ) (resi   71  and name HN   )  2.8  1.0  1.0
assign (resi   70  and name HB2  ) (resi   72  and name HN   )  3.5  1.6  1.6
assign (resi   70  and name HB2  ) (resi   73  and name HG2# )  3.9  3.4  3.4 !        I73    
assign (resi   70  and name HG1  ) (resi   70  and name HG2  )  2.2  0.6  0.6
assign (resi   70  and name HG1  ) (resi   70  and name HN   )  2.8  1.0  1.0
assign (resi   70  and name HG1  ) (resi   71  and name HN   )  4.7  2.7  1.3
assign (resi   70  and name HG1  ) (resi   73  and name HG2# )  3.7  3.2  3.2 !        I73    
assign (resi   70  and name HG2  ) (resi   70  and name HN   )  3.3  1.3  1.3
assign (resi   70  and name HG2  ) (resi   73  and name HG2# )  3.7  3.2  3.2 !        I73    
assign (resi   70  and name HN   ) (resi   71  and name HN   )  2.8  1.0  1.0
assign (resi   70  and name HN   ) (resi   72  and name HN   )  4.0  2.0  2.0


! K71
assign (resi   71  and name HA   ) (resi   71  and name HB#  )  2.4  1.7  1.7 !        K71    
assign (resi   71  and name HA   ) (resi   71  and name HN   )  2.5  0.8  0.8
assign (resi   71  and name HA   ) (resi   73  and name HN   )  4.0  2.0  2.0
assign (resi   71  and name HB#  ) (resi   71  and name HD#  )  2.6  2.8  2.8 ! K71    K71    
assign (resi   71  and name HB#  ) (resi   71  and name HE#  )  3.1  3.2  3.2 ! K71    K71    
assign (resi   71  and name HB#  ) (resi   72  and name HN   )  2.9  2.1  2.1 ! K71    
assign (resi   71  and name HD#  ) (resi   71  and name HN   )  3.4  2.4  2.4 ! K71    
assign (resi   71  and name HN   ) (resi   72  and name HB1  )  4.2  2.2  1.8
assign (resi   71  and name HN   ) (resi   72  and name HB2  )  4.0  2.0  2.0
assign (resi   71  and name HN   ) (resi   72  and name HN   )  2.6  0.8  0.8
assign (resi   71  and name HN   ) (resi   73  and name HB   )  2.7  2.7  3.3
assign (resi   71  and name HN   ) (resi   73  and name HN   )  3.9  1.9  1.9


! D72
assign (resi   72  and name HA   ) (resi   72  and name HB1  )  3.3  1.4  1.4
assign (resi   72  and name HA   ) (resi   72  and name HB2  )  2.7  0.9  0.9
assign (resi   72  and name HA   ) (resi   72  and name HN   )  2.8  1.0  1.0
assign (resi   72  and name HA   ) (resi   74  and name HN   )  3.6  1.6  1.6
assign (resi   72  and name HA   ) (resi   75  and name HB#  )  2.6  2.3  2.3 !        A75    
assign (resi   72  and name HA   ) (resi   75  and name HN   )  3.1  1.2  1.2
assign (resi   72  and name HA   ) (resi   76  and name HN   )  3.9  1.9  1.9
assign (resi   72  and name HB1  ) (resi   72  and name HN   )  2.9  1.1  1.1
assign (resi   72  and name HB1  ) (resi   73  and name HN   )  3.0  1.1  1.1
assign (resi   72  and name HB2  ) (resi   72  and name HN   )  3.0  1.1  1.1
assign (resi   72  and name HB2  ) (resi   73  and name HN   )  3.9  1.9  1.9
assign (resi   72  and name HN   ) (resi   73  and name HB   )  4.3  2.3  1.7
assign (resi   72  and name HN   ) (resi   73  and name HN   )  2.8  1.0  1.0


! I73
assign (resi   73  and name HA   ) (resi   73  and name HB   )  2.8  1.0  1.0
assign (resi   73  and name HA   ) (resi   73  and name HG1# )  3.3  2.4  2.4 !        I73    
assign (resi   73  and name HA   ) (resi   73  and name HG2# )  2.5  2.3  2.3 !        I73    
assign (resi   73  and name HA   ) (resi   73  and name HD1# )  2.5  2.3  2.3 !        I73    
assign (resi   73  and name HA   ) (resi   73  and name HN   )  2.9  1.0  1.0
assign (resi   73  and name HA   ) (resi   74  and name HB#  )  3.1  4.6  4.4 !        A74    
assign (resi   73  and name HA   ) (resi   74  and name HN   )  3.4  1.5  1.5
assign (resi   73  and name HA   ) (resi   76  and name HB1  )  2.6  0.9  0.9
assign (resi   73  and name HA   ) (resi   76  and name HB2  )  3.0  1.1  1.1
assign (resi   73  and name HA   ) (resi   76  and name HD#  )  3.4  3.4  3.4 !        Y76    
assign (resi   73  and name HA   ) (resi   76  and name HN   )  3.1  1.2  1.2
assign (resi   73  and name HA   ) (resi   77  and name HN   )  4.4  2.4  1.6
assign (resi   73  and name HB   ) (resi   73  and name HG1# )  2.7  1.9  1.9 !        I73    
assign (resi   73  and name HB   ) (resi   73  and name HG2# )  2.1  2.0  2.0 !        I73    
assign (resi   73  and name HB   ) (resi   73  and name HD1# )  2.3  2.2  2.2 !        I73    
assign (resi   73  and name HG1# ) (resi   73  and name HG2# )  2.3  3.1  3.1 ! I73    I73    
assign (resi   73  and name HG1# ) (resi   73  and name HD1# )  2.1  3.1  3.1 ! I73    I73    
assign (resi   73  and name HG1# ) (resi   73  and name HN   )  3.7  2.7  2.7 ! I73    
assign (resi   73  and name HG1# ) (resi   74  and name HB#  )  3.6  4.1  4.1 ! I73    A74    
assign (resi   73  and name HG1# ) (resi   74  and name HN   )  4.3  3.3  2.7 ! I73    
assign (resi   73  and name HG1# ) (resi   76  and name HB2  )  4.2  3.2  2.8 ! I73    
assign (resi   73  and name HG1# ) (resi   77  and name HB1  )  3.7  2.7  2.7 ! I73    
assign (resi   73  and name HG1# ) (resi   77  and name HD#  )  3.1  3.2  3.2 ! I73    R77    
assign (resi   73  and name HG1# ) (resi   77  and name HD#  )  3.3  3.4  3.4 ! I73    R77    
assign (resi   73  and name HG2# ) (resi   73  and name HN   )  2.7  2.4  2.4 ! I73    
assign (resi   73  and name HG2# ) (resi   74  and name HA   )  3.0  2.6  2.6 ! I73    
assign (resi   73  and name HG2# ) (resi   74  and name HN   )  2.6  2.3  2.3 ! I73    
assign (resi   73  and name HG2# ) (resi   76  and name HB1  )  3.7  3.2  3.2 ! I73    
assign (resi   73  and name HG2# ) (resi   76  and name HB2  )  2.3  3.8  5.2 ! I73    
assign (resi   73  and name HG2# ) (resi   77  and name HD#  )  3.4  5.9  5.1 ! I73    R77    
assign (resi   73  and name HG2# ) (resi   77  and name HN   )  4.2  3.7  3.3 ! I73    
assign (resi   73  and name HD1# ) (resi   75  and name HN   )  4.3  3.9  3.2 ! I73    
assign (resi   73  and name HD1# ) (resi   76  and name HD#  )  2.7  4.4  4.4 ! I73    Y76    
assign (resi   73  and name HD1# ) (resi   76  and name HE#  )  3.9  6.4  6.4 ! I73    Y76    
assign (resi   73  and name HD1# ) (resi   76  and name HN   )  4.6  4.1  2.9 ! I73    
assign (resi   73  and name HD1# ) (resi   77  and name HD#  )  2.7  3.4  3.4 ! I73    R77    
assign (resi   73  and name HD1# ) (resi   78  and name HA   )  2.7  4.2  4.8 ! I73    
assign (resi   73  and name HN   ) (resi   74  and name HB#  )  3.4  3.0  3.0 !        A74    
assign (resi   73  and name HN   ) (resi   74  and name HN   )  2.7  0.9  0.9
assign (resi   73  and name HN   ) (resi   75  and name HN   )  3.9  1.9  1.9


! A74
assign (resi   74  and name HA   ) (resi   74  and name HB#  )  2.0  2.0  2.0 !        A74    
assign (resi   74  and name HA   ) (resi   74  and name HN   )  2.6  0.8  0.8
assign (resi   74  and name HA   ) (resi   75  and name HN   )  3.1  1.2  1.2
assign (resi   74  and name HB#  ) (resi   74  and name HN   )  2.2  2.1  2.1 ! A74    
assign (resi   74  and name HB#  ) (resi   78  and name HN   )  4.5  4.1  3.0 ! A74    
assign (resi   74  and name HN   ) (resi   75  and name HA   )  4.5  2.5  1.5
assign (resi   74  and name HN   ) (resi   75  and name HN   )  2.6  0.8  0.8
assign (resi   74  and name HN   ) (resi   76  and name HN   )  3.8  1.8  1.8


! A75
assign (resi   75  and name HA   ) (resi   75  and name HB#  )  2.1  2.1  2.1 !        A75    
assign (resi   75  and name HA   ) (resi   75  and name HN   )  2.7  0.9  0.9
assign (resi   75  and name HA   ) (resi   76  and name HN   )  3.1  1.2  1.2
assign (resi   75  and name HB#  ) (resi   75  and name HN   )  2.2  2.1  2.1 ! A75    
assign (resi   75  and name HB#  ) (resi   76  and name HA   )  2.9  2.5  2.5 ! A75    
assign (resi   75  and name HB#  ) (resi   76  and name HN   )  2.8  2.5  2.5 ! A75    
assign (resi   75  and name HB#  ) (resi   77  and name HN   )  4.0  3.5  3.5 ! A75    
assign (resi   75  and name HN   ) (resi   76  and name HB2  )  4.7  2.7  1.3
assign (resi   75  and name HN   ) (resi   76  and name HN   )  2.6  0.8  0.8


! Y76
assign (resi   76  and name HA   ) (resi   76  and name HB1  )  2.9  1.0  1.0
assign (resi   76  and name HA   ) (resi   76  and name HB2  )  2.6  0.8  0.8
assign (resi   76  and name HA   ) (resi   76  and name HD#  )  2.5  2.8  2.8 !        Y76    
assign (resi   76  and name HA   ) (resi   76  and name HE#  )  4.7  5.7  4.3 !        Y76    
assign (resi   76  and name HA   ) (resi   76  and name HN   )  2.8  0.9  0.9
assign (resi   76  and name HA   ) (resi   77  and name HN   )  2.8  1.0  1.0
assign (resi   76  and name HB1  ) (resi   76  and name HD#  )  2.5  2.8  2.8 !        Y76    
assign (resi   76  and name HB1  ) (resi   76  and name HE#  )  4.3  5.3  4.7 !        Y76    
assign (resi   76  and name HB1  ) (resi   76  and name HN   )  2.6  0.8  0.8
assign (resi   76  and name HB2  ) (resi   76  and name HD#  )  2.9  3.0  3.0 !        Y76    
assign (resi   76  and name HB2  ) (resi   76  and name HE#  )  4.3  5.3  4.7 !        Y76    
assign (resi   76  and name HB2  ) (resi   76  and name HN   )  2.5  0.8  0.8
assign (resi   76  and name HB2  ) (resi   77  and name HN   )  3.7  1.7  1.7
assign (resi   76  and name HD#  ) (resi   76  and name HE#  )  2.0  5.5  5.5 ! Y76    Y76    
assign (resi   76  and name HD#  ) (resi   76  and name HN   )  4.2  4.2  3.8 ! Y76    
assign (resi   76  and name HD#  ) (resi   77  and name HA   )  3.6  3.6  3.6 ! Y76    
assign (resi   76  and name HD#  ) (resi   77  and name HB1  )  3.3  3.3  3.3 ! Y76    
assign (resi   76  and name HD#  ) (resi   77  and name HG1  )  3.6  3.6  3.6 ! Y76    
assign (resi   76  and name HD#  ) (resi   77  and name HN   )  3.6  3.6  3.6 ! Y76    
assign (resi   76  and name HE#  ) (resi   77  and name HG2  )  3.7  4.7  4.7 ! Y76    
assign (resi   76  and name HN   ) (resi   77  and name HA   )  4.0  2.0  2.0
assign (resi   76  and name HN   ) (resi   77  and name HG1  )  4.5  2.5  1.5


! R77
assign (resi   77  and name HA   ) (resi   77  and name HB1  )  2.5  0.8  0.8
assign (resi   77  and name HA   ) (resi   77  and name HB2  )  2.4  0.7  0.7
assign (resi   77  and name HA   ) (resi   77  and name HG2  )  2.7  2.7  3.3
assign (resi   77  and name HA   ) (resi   77  and name HD#  )  3.5  2.5  2.5 !        R77    
assign (resi   77  and name HA   ) (resi   77  and name HN   )  2.5  0.8  0.8
assign (resi   77  and name HA   ) (resi   78  and name HN   )  2.8  1.0  1.0
assign (resi   77  and name HB1  ) (resi   77  and name HB2  )  1.8  0.4  0.4
assign (resi   77  and name HB1  ) (resi   77  and name HD#  )  2.7  1.9  1.9 !        R77    
assign (resi   77  and name HB1  ) (resi   77  and name HN   )  2.9  1.0  1.0
assign (resi   77  and name HB1  ) (resi   78  and name HN   )  3.8  1.8  1.8
assign (resi   77  and name HB2  ) (resi   77  and name HD#  )  2.4  1.7  1.7 !        R77    
assign (resi   77  and name HB2  ) (resi   77  and name HN   )  2.7  0.9  0.9
assign (resi   77  and name HG1  ) (resi   77  and name HD#  )  2.7  1.9  1.9 !        R77    
assign (resi   77  and name HG1  ) (resi   78  and name HN   )  2.8  1.0  1.0
assign (resi   77  and name HG2  ) (resi   77  and name HD#  )  2.8  2.0  2.0 !        R77    
assign (resi   77  and name HG2  ) (resi   77  and name HN   )  2.9  1.0  1.0
assign (resi   77  and name HD#  ) (resi   79  and name HD#  )  2.1  4.1  5.9 ! R77    K79    
assign (resi   77  and name HN   ) (resi   78  and name HN   )  2.5  0.8  0.8


! A78
assign (resi   78  and name HA   ) (resi   78  and name HB#  )  2.1  2.0  2.0 !        A78    
assign (resi   78  and name HA   ) (resi   78  and name HN   )  2.4  0.7  0.7
assign (resi   78  and name HA   ) (resi   79  and name HN   )  2.4  0.7  0.7
assign (resi   78  and name HB#  ) (resi   78  and name HN   )  2.4  2.2  2.2 ! A78    
assign (resi   78  and name HB#  ) (resi   79  and name HN   )  2.7  2.4  2.4 ! A78    
assign (resi   78  and name HN   ) (resi   79  and name HD#  )  3.0  4.0  4.0 !        K79    


! K79
assign (resi   79  and name HA   ) (resi   79  and name HB1  )  2.4  0.7  0.7
assign (resi   79  and name HA   ) (resi   79  and name HB2  )  2.6  0.8  0.8
assign (resi   79  and name HA   ) (resi   79  and name HG#  )  2.8  2.0  2.0 !        K79    
assign (resi   79  and name HA   ) (resi   79  and name HN   )  2.7  0.9  0.9
assign (resi   79  and name HB1  ) (resi   79  and name HE#  )  3.4  2.5  2.5 !        K79    
assign (resi   79  and name HB1  ) (resi   79  and name HN   )  3.4  1.5  1.5
assign (resi   79  and name HB2  ) (resi   79  and name HN   )  2.7  0.9  0.9
assign (resi   79  and name HG#  ) (resi   79  and name HE#  )  2.0  2.5  2.5 ! K79    K79   

!Dihedral angle restraints 


!!	N7
assign (resid   6 and name c )  (resid   7 and name n )
       (resid   7 and name ca)  (resid   7 and name c )  1.0 -120.0   40.0 2
!!	A8
assign (resid   7 and name c )  (resid   8 and name n )
       (resid   8 and name ca)  (resid   8 and name c )  1.0  -65.0   40.0 2
!!	L18
assign (resid  17 and name c )  (resid  18 and name n )
       (resid  18 and name ca)  (resid  18 and name c )  1.0  -65.0   40.0 2
!!	S21
assign (resid  20 and name c )  (resid  21 and name n )
       (resid  21 and name ca)  (resid  21 and name c )  1.0  -65.0   40.0 2
!!	R24
assign (resid  23 and name c )  (resid  24 and name n )
       (resid  24 and name ca)  (resid  24 and name c )  1.0  -65.0   40.0 2
!!	I27
assign (resid  26 and name c )  (resid  27 and name n )
       (resid  27 and name ca)  (resid  27 and name c )  1.0  -65.0   40.0 2
!!	H31
assign (resid  30 and name c )  (resid  31 and name n )
       (resid  31 and name ca)  (resid  31 and name c )  1.0 -120.0   40.0 2
!!	G33
assign (resid  32 and name c )  (resid  33 and name n )
       (resid  33 and name ca)  (resid  33 and name c )  1.0  -65.0   40.0 2
!!	L34
assign (resid  33 and name c )  (resid  34 and name n )
       (resid  34 and name ca)  (resid  34 and name c )  1.0  -65.0   40.0 2
!!	S35
assign (resid  34 and name c )  (resid  35 and name n )
       (resid  35 and name ca)  (resid  35 and name c )  1.0  -65.0   40.0 2
!!	G37
assign (resid  36 and name c )  (resid  37 and name n )
       (resid  37 and name ca)  (resid  37 and name c )  1.0  -65.0   40.0 2
!!	D38
assign (resid  37 and name c )  (resid  38 and name n )
       (resid  38 and name ca)  (resid  38 and name c )  1.0  -65.0   40.0 2
!!	T39
assign (resid  38 and name c )  (resid  39 and name n )
       (resid  39 and name ca)  (resid  39 and name c )  1.0  -65.0   40.0 2
!!	A40
assign (resid  39 and name c )  (resid  40 and name n )
       (resid  40 and name ca)  (resid  40 and name c )  1.0  -65.0   40.0 2
!!	K41
assign (resid  40 and name c )  (resid  41 and name n )
       (resid  41 and name ca)  (resid  41 and name c )  1.0  -65.0   40.0 2
!!	K42
assign (resid  41 and name c )  (resid  42 and name n )
       (resid  42 and name ca)  (resid  42 and name c )  1.0  -65.0   40.0 2
!!	E45
assign (resid  44 and name c )  (resid  45 and name n )
       (resid  45 and name ca)  (resid  45 and name c )  1.0  -65.0   40.0 2
!!	S48
assign (resid  47 and name c )  (resid  48 and name n )
       (resid  48 and name ca)  (resid  48 and name c )  1.0  -65.0   40.0 2
!!	E59
assign (resid  58 and name c )  (resid  59 and name n )
       (resid  59 and name ca)  (resid  59 and name c )  1.0  -65.0   40.0 2
!!	K61
assign (resid  60 and name c )  (resid  61 and name n )
       (resid  61 and name ca)  (resid  61 and name c )  1.0  -65.0   40.0 2
!!	K64
assign (resid  63 and name c )  (resid  64 and name n )
       (resid  64 and name ca)  (resid  64 and name c )  1.0  -65.0   40.0 2
!!	K66
assign (resid  65 and name c )  (resid  66 and name n )
       (resid  66 and name ca)  (resid  66 and name c )  1.0  -65.0   40.0 2
!!	K67
assign (resid  66 and name c )  (resid  67 and name n )
       (resid  67 and name ca)  (resid  67 and name c )  1.0  -65.0   40.0 2
!!	K68
assign (resid  67 and name c )  (resid  68 and name n )
       (resid  68 and name ca)  (resid  68 and name c )  1.0  -65.0   40.0 2
!!	D69
assign (resid  68 and name c )  (resid  69 and name n )
       (resid  69 and name ca)  (resid  69 and name c )  1.0  -65.0   40.0 2
!!	P73
assign (resid  72 and name c )  (resid  73 and name n )
       (resid  73 and name ca)  (resid  73 and name c )  1.0  -65.0   40.0 2
!!	K74
assign (resid  73 and name c )  (resid  74 and name n )
       (resid  74 and name ca)  (resid  74 and name c )  1.0  -65.0   40.0 2
!!	P76
assign (resid  75 and name c )  (resid  76 and name n )
       (resid  76 and name ca)  (resid  76 and name c )  1.0  -65.0   40.0 2

!dipolar coupling constant restraints
!

! K3   
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 3    and name N     )
       ( resid 3    and name HN    )   1.29  0.34  0.34

! K4   
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 4    and name N     )
       ( resid 4    and name HN    )   0.62  0.46  0.46

! D5   
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 5    and name N     )
       ( resid 5    and name HN    )   6.38  1.46  1.46

! N7   
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 7    and name N     )
       ( resid 7    and name HN    )  -3.73  0.52  0.52

! A8   
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 8    and name N     )
       ( resid 8    and name HN    )  -3.63  1.09  1.09

! K10  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 10   and name N     )
       ( resid 10   and name HN    )  16.94  1.02  1.02

! R11  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 11   and name N     )
       ( resid 11   and name HN    )  -5.56  0.91  0.91

! S14  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 14   and name N     )
       ( resid 14   and name HN    )  -8.28  0.76  0.76

! A15  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 15   and name N     )
       ( resid 15   and name HN    )  15.11  1.22  1.22

! F16  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 16   and name N     )
       ( resid 16   and name HN    )  17.29  0.78  0.78

! F17  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 17   and name N     )
       ( resid 17   and name HN    )  -0.23  1.29  1.29

! L18  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 18   and name N     )
       ( resid 18   and name HN    )  10.80  1.21  1.21

! F19  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 19   and name N     )
       ( resid 19   and name HN    )  19.85  0.95  0.95

! C20  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 20   and name N     )
       ( resid 20   and name HN    )   8.49  0.42  0.42

! S21  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 21   and name N     )
       ( resid 21   and name HN    )   0.38  0.23  0.23

! E22  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 22   and name N     )
       ( resid 22   and name HN    )  20.13  1.18  1.18

! Y23  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 23   and name N     )
       ( resid 23   and name HN    )   9.24  1.02  1.02

! R24  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 24   and name N     )
       ( resid 24   and name HN    )  -12.59  0.22  0.22

! K26  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 26   and name N     )
       ( resid 26   and name HN    )   1.37  1.34  1.34

! I27  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 27   and name N     )
       ( resid 27   and name HN    )  -11.56  1.12  1.12

! K28  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 28   and name N     )
       ( resid 28   and name HN    )  -16.03  0.48  0.48

! S29  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 29   and name N     )
       ( resid 29   and name HN    )  -9.47  0.14  0.14

! H31  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 31   and name N     )
       ( resid 31   and name HN    )  -13.82  0.72  0.72

! L34  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 34   and name N     )
       ( resid 34   and name HN    )   5.28  0.70  0.70

! S35  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 35   and name N     )
       ( resid 35   and name HN    )   0.15  1.19  1.19

! D38  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 38   and name N     )
       ( resid 38   and name HN    )   3.03  1.31  1.31

! T39  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 39   and name N     )
       ( resid 39   and name HN    )  -8.11  0.51  0.51

! A40  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 40   and name N     )
       ( resid 40   and name HN    )  -7.82  0.39  0.39

! K41  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 41   and name N     )
       ( resid 41   and name HN    )  -6.25  0.90  0.90

! K42  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 42   and name N     )
       ( resid 42   and name HN    )   0.20  0.18  0.18

! L43  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 43   and name N     )
       ( resid 43   and name HN    )  -5.54  0.97  0.97

! G44  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 44   and name N     )
       ( resid 44   and name HN    )  -8.81  0.82  0.82

! E45  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 45   and name N     )
       ( resid 45   and name HN    )  -3.16  0.98  0.98

! M46  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 46   and name N     )
       ( resid 46   and name HN    )  -3.83  0.53  0.53

! W47  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 47   and name N     )
       ( resid 47   and name HN    )  -6.98  1.23  1.23

! S48  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 48   and name N     )
       ( resid 48   and name HN    )  -8.74  0.21  0.21

! E49  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 49   and name N     )
       ( resid 49   and name HN    )   3.07  0.64  0.64

! Q50  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 50   and name N     )
       ( resid 50   and name HN    )  -8.81  0.55  0.55

! S51  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 51   and name N     )
       ( resid 51   and name HN    )  17.03  0.97  0.97

! K53  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 53   and name N     )
       ( resid 53   and name HN    )  -7.68  0.94  0.94

! D54  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 54   and name N     )
       ( resid 54   and name HN    )   6.32  1.02  1.02

! K55  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 55   and name N     )
       ( resid 55   and name HN    )   9.17  1.07  1.07

! Q56  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 56   and name N     )
       ( resid 56   and name HN    )  -12.92  0.19  0.19

! Y58  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 58   and name N     )
       ( resid 58   and name HN    )  -7.74  0.40  0.40

! E59  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 59   and name N     )
       ( resid 59   and name HN    )  -15.48  1.11  1.11

! Q60  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 60   and name N     )
       ( resid 60   and name HN    )  -18.22  1.27  1.27

! K61  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 61   and name N     )
       ( resid 61   and name HN    )  -19.09  0.60  0.60

! A62  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 62   and name N     )
       ( resid 62   and name HN    )  -11.49  1.11  1.11

! A63  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 63   and name N     )
       ( resid 63   and name HN    )  -17.10  0.06  0.06

! K64  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 64   and name N     )
       ( resid 64   and name HN    )  -12.95  0.79  0.79

! L65  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 65   and name N     )
       ( resid 65   and name HN    )  -15.41  0.65  0.65

! K66  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 66   and name N     )
       ( resid 66   and name HN    )  -16.47  0.58  0.58

! E67  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 67   and name N     )
       ( resid 67   and name HN    )  -13.58  1.16  1.16

! K68  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 68   and name N     )
       ( resid 68   and name HN    )  -17.41  0.17  0.17

! Y69  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 69   and name N     )
       ( resid 69   and name HN    )  -15.77  0.31  0.31

! E70  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 70   and name N     )
       ( resid 70   and name HN    )  -21.50  1.25  1.25

! K71  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 71   and name N     )
       ( resid 71   and name HN    )  -10.86  1.12  1.12

! D72  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 72   and name N     )
       ( resid 72   and name HN    )  -20.14  0.91  0.91

! I73  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 73   and name N     )
       ( resid 73   and name HN    )  -12.66  0.36  0.36

! A74  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 74   and name N     )
       ( resid 74   and name HN    )  -13.77  0.54  0.54

! Y76  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 76   and name N     )
       ( resid 76   and name HN    )  -7.87  0.89  0.89

! R77  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 77   and name N     )
       ( resid 77   and name HN    )  -1.24  0.32  0.32

! A78  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 78   and name N     )
       ( resid 78   and name HN    )   3.13  0.60  0.60

! K79  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 79   and name N     )
       ( resid 79   and name HN    )  -0.24  0.56  0.56

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1HT       MET   1  -8.239  16.721   6.184
    2   2H    MET   1          2HT       MET   1  -7.813  16.350   4.581
    3   3H    MET   1          3HT       MET   1  -8.295  15.115   5.643
    4    HA   MET   1           HA       MET   1 -10.533  16.087   5.768
    5   1HB   MET   1          2HB       MET   1  -9.254  18.347   5.127
    6   2HB   MET   1          1HB       MET   1  -9.751  17.877   3.501
    7   1HG   MET   1          2HG       MET   1 -12.091  17.703   4.260
    8   2HG   MET   1          1HG       MET   1 -11.599  18.167   5.890
    9   1HE   MET   1          1HE       MET   1 -13.580  19.892   3.189
   10   2HE   MET   1          2HE       MET   1 -13.655  21.070   4.497
   11   3HE   MET   1          3HE       MET   1 -13.750  19.350   4.865
   12    H    LYS   2           H        LYS   2  -8.773  16.258   2.647
   13    HA   LYS   2           HA       LYS   2  -9.842  13.703   1.727
   14   1HB   LYS   2          2HB       LYS   2 -11.220  16.269   1.240
   15   2HB   LYS   2          1HB       LYS   2 -10.991  15.275  -0.199
   16   1HG   LYS   2          2HG       LYS   2 -11.805  13.420   1.691
   17   2HG   LYS   2          1HG       LYS   2 -12.754  14.843   2.111
   18   1HD   LYS   2          2HD       LYS   2 -13.186  14.962  -0.484
   19   2HD   LYS   2          1HD       LYS   2 -12.744  13.255  -0.431
   20   1HE   LYS   2          2HE       LYS   2 -14.637  14.039   1.687
   21   2HE   LYS   2          1HE       LYS   2 -15.273  14.229   0.042
   22   1HZ   LYS   2          1HZ       LYS   2 -15.591  11.960   0.817
   23   2HZ   LYS   2          2HZ       LYS   2 -13.924  11.806   1.110
   24   3HZ   LYS   2          3HZ       LYS   2 -14.496  11.995  -0.478
   25    H    LYS   3           H        LYS   3  -8.465  16.858   0.785
   26    HA   LYS   3           HA       LYS   3  -6.246  15.597  -0.587
   27   1HB   LYS   3          2HB       LYS   3  -8.603  15.721  -1.988
   28   2HB   LYS   3          1HB       LYS   3  -7.823  17.222  -2.484
   29   1HG   LYS   3          2HG       LYS   3  -5.790  15.963  -3.105
   30   2HG   LYS   3          1HG       LYS   3  -6.578  14.460  -2.623
   31   1HD   LYS   3          2HD       LYS   3  -8.453  15.208  -4.288
   32   2HD   LYS   3          1HD       LYS   3  -7.199  16.250  -4.959
   33   1HE   LYS   3          2HE       LYS   3  -5.875  14.438  -5.643
   34   2HE   LYS   3          1HE       LYS   3  -6.625  13.328  -4.479
   35   1HZ   LYS   3          1HZ       LYS   3  -7.464  13.019  -6.767
   36   2HZ   LYS   3          2HZ       LYS   3  -8.055  14.612  -6.746
   37   3HZ   LYS   3          3HZ       LYS   3  -8.686  13.455  -5.674
   38    H    LYS   4           H        LYS   4  -5.204  17.092   0.941
   39    HA   LYS   4           HA       LYS   4  -5.600  19.910   1.006
   40   1HB   LYS   4          2HB       LYS   4  -3.323  18.031   1.624
   41   2HB   LYS   4          1HB       LYS   4  -3.131  19.773   1.829
   42   1HG   LYS   4          2HG       LYS   4  -5.352  19.639   3.171
   43   2HG   LYS   4          1HG       LYS   4  -5.018  17.909   3.259
   44   1HD   LYS   4          2HD       LYS   4  -2.741  18.467   4.176
   45   2HD   LYS   4          1HD       LYS   4  -3.244  20.156   4.250
   46   1HE   LYS   4          2HE       LYS   4  -4.897  17.988   5.560
   47   2HE   LYS   4          1HE       LYS   4  -3.544  18.763   6.410
   48   1HZ   LYS   4          1HZ       LYS   4  -4.499  20.919   5.930
   49   2HZ   LYS   4          2HZ       LYS   4  -5.635  19.965   6.760
   50   3HZ   LYS   4          3HZ       LYS   4  -5.782  20.203   5.085
   51    H    ASP   5           H        ASP   5  -3.023  18.078  -0.694
   52    HA   ASP   5           HA       ASP   5  -3.173  19.851  -3.027
   53   1HB   ASP   5          2HB       ASP   5  -1.228  20.179  -0.806
   54   2HB   ASP   5          1HB       ASP   5  -0.559  20.285  -2.434
   55    HA   PRO   6           HA       PRO   6  -1.363  16.261  -4.842
   56   1HB   PRO   6          2HB       PRO   6  -0.020  17.303  -6.985
   57   2HB   PRO   6          1HB       PRO   6  -1.790  17.182  -6.921
   58   1HG   PRO   6          2HG       PRO   6  -0.037  19.539  -6.467
   59   2HG   PRO   6          1HG       PRO   6  -1.615  19.440  -7.262
   60   1HD   PRO   6          2HD       PRO   6  -1.250  20.351  -4.709
   61   2HD   PRO   6          1HD       PRO   6  -2.761  19.623  -5.297
   62    H    ASN   7           H        ASN   7   0.938  19.005  -4.718
   63    HA   ASN   7           HA       ASN   7   3.274  17.257  -4.551
   64   1HB   ASN   7          2HB       ASN   7   2.982  19.650  -5.527
   65   2HB   ASN   7          1HB       ASN   7   3.148  20.190  -3.856
   66   1HD2  ASN   7          1HD2      ASN   7   4.899  19.076  -6.634
   67   2HD2  ASN   7          2HD2      ASN   7   6.431  19.009  -5.904
   68    H    ALA   8           H        ALA   8   1.084  18.714  -2.243
   69    HA   ALA   8           HA       ALA   8   2.896  18.654   0.037
   70   1HB   ALA   8          1HB       ALA   8   0.885  19.231   1.261
   71   2HB   ALA   8          2HB       ALA   8  -0.138  18.621  -0.041
   72   3HB   ALA   8          3HB       ALA   8   0.824  20.081  -0.282
   73    HA   PRO   9           HA       PRO   9   2.510  14.312   0.824
   74   1HB   PRO   9          2HB       PRO   9   3.227  14.237   3.460
   75   2HB   PRO   9          1HB       PRO   9   4.396  14.474   2.148
   76   1HG   PRO   9          2HG       PRO   9   3.193  16.471   3.989
   77   2HG   PRO   9          1HG       PRO   9   4.834  16.382   3.335
   78   1HD   PRO   9          2HD       PRO   9   2.899  18.071   2.385
   79   2HD   PRO   9          1HD       PRO   9   4.265  17.481   1.415
   80    H    LYS  10           H        LYS  10   0.170  14.274   0.599
   81    HA   LYS  10           HA       LYS  10  -1.748  15.058   2.513
   82   1HB   LYS  10          2HB       LYS  10  -1.538  13.357   0.165
   83   2HB   LYS  10          1HB       LYS  10  -2.723  12.732   1.306
   84   1HG   LYS  10          2HG       LYS  10  -4.101  14.570   1.090
   85   2HG   LYS  10          1HG       LYS  10  -2.763  15.662   0.729
   86   1HD   LYS  10          2HD       LYS  10  -3.952  15.415  -1.324
   87   2HD   LYS  10          1HD       LYS  10  -2.520  14.398  -1.483
   88   1HE   LYS  10          2HE       LYS  10  -4.073  12.512  -0.511
   89   2HE   LYS  10          1HE       LYS  10  -5.383  13.571  -1.071
   90   1HZ   LYS  10          1HZ       LYS  10  -4.307  13.692  -3.237
   91   2HZ   LYS  10          2HZ       LYS  10  -4.670  12.080  -2.840
   92   3HZ   LYS  10          3HZ       LYS  10  -3.076  12.653  -2.706
   93    H    ARG  11           H        ARG  11  -3.236  12.998   3.408
   94    HA   ARG  11           HA       ARG  11  -1.973  12.074   5.765
   95   1HB   ARG  11          2HB       ARG  11  -4.440  11.596   4.224
   96   2HB   ARG  11          1HB       ARG  11  -3.967  10.235   5.244
   97   1HG   ARG  11          2HG       ARG  11  -3.807  11.758   7.189
   98   2HG   ARG  11          1HG       ARG  11  -4.307  13.106   6.167
   99   1HD   ARG  11          2HD       ARG  11  -6.504  12.416   6.104
  100   2HD   ARG  11          1HD       ARG  11  -6.069  10.696   6.160
  101    HE   ARG  11           HE       ARG  11  -5.722  10.905   8.562
  102   1HH1  ARG  11          1HH1      ARG  11  -8.289  12.567   7.616
  103   2HH1  ARG  11          2HH1      ARG  11  -8.200  13.852   8.773
  104   1HH2  ARG  11          1HH2      ARG  11  -4.980  13.067   9.790
  105   2HH2  ARG  11          2HH2      ARG  11  -6.327  14.135  10.005
  106    HA   PRO  12           HA       PRO  12   0.461   8.747   4.100
  107   1HB   PRO  12          2HB       PRO  12   1.165   7.518   6.436
  108   2HB   PRO  12          1HB       PRO  12   1.893   9.041   5.890
  109   1HG   PRO  12          2HG       PRO  12  -0.177   8.568   7.958
  110   2HG   PRO  12          1HG       PRO  12   1.105   9.786   7.896
  111   1HD   PRO  12          2HD       PRO  12  -1.555  10.252   7.308
  112   2HD   PRO  12          1HD       PRO  12  -0.199  11.267   6.775
  113    HA   PRO  13           HA       PRO  13  -2.667   5.543   4.264
  114   1HB   PRO  13          2HB       PRO  13  -1.626   3.913   2.330
  115   2HB   PRO  13          1HB       PRO  13  -2.488   5.417   1.962
  116   1HG   PRO  13          2HG       PRO  13   0.392   4.822   1.850
  117   2HG   PRO  13          1HG       PRO  13  -0.556   6.006   0.945
  118   1HD   PRO  13          2HD       PRO  13   1.098   6.506   3.168
  119   2HD   PRO  13          1HD       PRO  13  -0.032   7.642   2.404
  120    H    SER  14           H        SER  14  -2.094   2.821   3.882
  121    HA   SER  14           HA       SER  14   0.222   1.990   5.460
  122   1HB   SER  14          2HB       SER  14  -1.336   2.966   7.146
  123   2HB   SER  14          1HB       SER  14  -2.570   1.815   6.643
  124    HG   SER  14           HG       SER  14  -0.106   1.362   7.941
  125    H    ALA  15           H        ALA  15  -0.146   0.980   3.061
  126    HA   ALA  15           HA       ALA  15  -0.373  -1.021   1.884
  127   1HB   ALA  15          1HB       ALA  15  -0.141  -1.732   4.619
  128   2HB   ALA  15          2HB       ALA  15   0.127  -2.775   3.224
  129   3HB   ALA  15          3HB       ALA  15  -1.464  -2.705   3.977
  130    H    PHE  16           H        PHE  16  -3.014  -1.492   4.267
  131    HA   PHE  16           HA       PHE  16  -5.019  -2.340   2.547
  132   1HB   PHE  16          2HB       PHE  16  -4.945  -2.049   5.091
  133   2HB   PHE  16          1HB       PHE  16  -5.444  -0.381   4.811
  134    HD1  PHE  16           1HD      PHE  16  -6.408  -3.926   4.122
  135    HD2  PHE  16           2HD      PHE  16  -7.709   0.157   4.417
  136    HE1  PHE  16           1HE      PHE  16  -8.767  -4.660   3.904
  137    HE2  PHE  16           2HE      PHE  16 -10.067  -0.577   4.199
  138    HZ   PHE  16           HZ       PHE  16 -10.597  -2.987   3.943
  139    H    PHE  17           H        PHE  17  -4.422   1.079   3.456
  140    HA   PHE  17           HA       PHE  17  -6.436   2.263   1.823
  141   1HB   PHE  17          2HB       PHE  17  -3.983   3.037   3.269
  142   2HB   PHE  17          1HB       PHE  17  -4.367   4.093   1.910
  143    HD1  PHE  17           1HD      PHE  17  -5.341   3.001   5.248
  144    HD2  PHE  17           2HD      PHE  17  -6.587   5.236   1.798
  145    HE1  PHE  17           1HE      PHE  17  -7.114   4.092   6.596
  146    HE2  PHE  17           2HE      PHE  17  -8.359   6.329   3.146
  147    HZ   PHE  17           HZ       PHE  17  -8.623   5.757   5.545
  148    H    LEU  18           H        LEU  18  -3.060   1.389   1.101
  149    HA   LEU  18           HA       LEU  18  -2.943   2.525  -1.535
  150   1HB   LEU  18          2HB       LEU  18  -1.491   0.096  -0.425
  151   2HB   LEU  18          1HB       LEU  18  -0.949   1.126  -1.744
  152    HG   LEU  18           HG       LEU  18  -1.226   1.927   1.175
  153   1HD1  LEU  18          1HD1      LEU  18   1.010   1.131  -0.619
  154   2HD1  LEU  18          2HD1      LEU  18   0.804   0.863   1.112
  155   3HD1  LEU  18          3HD1      LEU  18   1.320   2.442   0.518
  156   1HD2  LEU  18          1HD2      LEU  18   0.087   3.990   0.053
  157   2HD2  LEU  18          2HD2      LEU  18  -1.674   3.966   0.167
  158   3HD2  LEU  18          3HD2      LEU  18  -0.882   3.509  -1.341
  159    H    PHE  19           H        PHE  19  -3.951  -0.648  -0.307
  160    HA   PHE  19           HA       PHE  19  -4.316  -1.843  -2.944
  161   1HB   PHE  19          2HB       PHE  19  -3.765  -3.087  -0.869
  162   2HB   PHE  19          1HB       PHE  19  -5.317  -2.614  -0.182
  163    HD1  PHE  19           1HD      PHE  19  -3.588  -4.960  -2.312
  164    HD2  PHE  19           2HD      PHE  19  -7.452  -3.331  -1.380
  165    HE1  PHE  19           1HE      PHE  19  -4.673  -6.896  -3.419
  166    HE2  PHE  19           2HE      PHE  19  -8.536  -5.267  -2.487
  167    HZ   PHE  19           HZ       PHE  19  -7.146  -7.050  -3.506
  168    H    CYS  20           H        CYS  20  -6.619  -0.835  -0.381
  169    HA   CYS  20           HA       CYS  20  -9.023  -1.257  -1.823
  170   1HB   CYS  20          2HB       CYS  20  -8.625  -0.705   0.639
  171   2HB   CYS  20          1HB       CYS  20  -8.480   0.983   0.145
  172    HG   CYS  20           HG       CYS  20 -10.960   0.960   0.391
  173    H    SER  21           H        SER  21  -7.211   1.817  -1.458
  174    HA   SER  21           HA       SER  21  -8.816   3.421  -3.163
  175   1HB   SER  21          2HB       SER  21  -6.886   4.894  -3.153
  176   2HB   SER  21          1HB       SER  21  -6.984   4.116  -1.576
  177    HG   SER  21           HG       SER  21  -5.183   3.722  -3.683
  178    H    GLU  22           H        GLU  22  -6.398   0.999  -3.961
  179    HA   GLU  22           HA       GLU  22  -6.295   1.865  -6.796
  180   1HB   GLU  22          2HB       GLU  22  -4.805   0.011  -4.990
  181   2HB   GLU  22          1HB       GLU  22  -4.660  -0.196  -6.732
  182   1HG   GLU  22          2HG       GLU  22  -4.168   2.416  -5.274
  183   2HG   GLU  22          1HG       GLU  22  -2.896   1.301  -5.775
  184    H    TYR  23           H        TYR  23  -7.688  -0.670  -4.785
  185    HA   TYR  23           HA       TYR  23  -8.366  -2.368  -7.100
  186   1HB   TYR  23          2HB       TYR  23  -8.448  -2.472  -4.127
  187   2HB   TYR  23          1HB       TYR  23  -9.628  -3.468  -4.980
  188    HD1  TYR  23           1HD      TYR  23  -5.978  -2.602  -5.032
  189    HD2  TYR  23           2HD      TYR  23  -8.989  -5.575  -5.771
  190    HE1  TYR  23           1HE      TYR  23  -4.210  -4.264  -5.543
  191    HE2  TYR  23           2HE      TYR  23  -7.222  -7.238  -6.282
  192    HH   TYR  23           HH       TYR  23  -4.017  -6.816  -5.484
  193    H    ARG  24           H        ARG  24 -10.020  -0.143  -4.874
  194    HA   ARG  24           HA       ARG  24 -12.703  -0.683  -5.332
  195   1HB   ARG  24          2HB       ARG  24 -11.153   1.875  -4.974
  196   2HB   ARG  24          1HB       ARG  24 -12.914   1.868  -5.085
  197   1HG   ARG  24          2HG       ARG  24 -13.131   0.473  -3.158
  198   2HG   ARG  24          1HG       ARG  24 -11.407   0.108  -3.144
  199   1HD   ARG  24          2HD       ARG  24 -10.878   2.068  -2.082
  200   2HD   ARG  24          1HD       ARG  24 -12.082   2.996  -2.997
  201    HE   ARG  24           HE       ARG  24 -13.445   1.159  -1.273
  202   1HH1  ARG  24          1HH1      ARG  24 -10.960   2.988  -0.146
  203   2HH1  ARG  24          2HH1      ARG  24 -11.912   4.060   0.827
  204   1HH2  ARG  24          1HH2      ARG  24 -14.938   2.989  -0.481
  205   2HH2  ARG  24          2HH2      ARG  24 -14.163   4.060   0.637
  206    HA   PRO  25           HA       PRO  25 -12.731   2.150  -9.291
  207   1HB   PRO  25          2HB       PRO  25 -10.322   2.351 -10.606
  208   2HB   PRO  25          1HB       PRO  25 -10.918   3.559  -9.449
  209   1HG   PRO  25          2HG       PRO  25  -9.016   1.294  -8.998
  210   2HG   PRO  25          1HG       PRO  25  -8.889   2.985  -8.479
  211   1HD   PRO  25          2HD       PRO  25  -9.672   1.128  -6.769
  212   2HD   PRO  25          1HD       PRO  25 -10.465   2.717  -6.773
  213    H    LYS  26           H        LYS  26 -10.630  -0.635  -8.912
  214    HA   LYS  26           HA       LYS  26 -10.992  -1.757 -11.566
  215   1HB   LYS  26          2HB       LYS  26  -9.259  -2.270  -9.700
  216   2HB   LYS  26          1HB       LYS  26 -10.539  -3.252  -8.982
  217   1HG   LYS  26          2HG       LYS  26  -9.787  -3.607 -11.877
  218   2HG   LYS  26          1HG       LYS  26  -8.860  -4.408 -10.608
  219   1HD   LYS  26          2HD       LYS  26 -11.140  -5.234  -9.722
  220   2HD   LYS  26          1HD       LYS  26 -11.778  -4.755 -11.295
  221   1HE   LYS  26          2HE       LYS  26 -10.015  -6.195 -12.380
  222   2HE   LYS  26          1HE       LYS  26  -9.584  -6.786 -10.762
  223   1HZ   LYS  26          1HZ       LYS  26 -12.310  -6.863 -11.947
  224   2HZ   LYS  26          2HZ       LYS  26 -11.871  -7.447 -10.413
  225   3HZ   LYS  26          3HZ       LYS  26 -11.270  -8.196 -11.814
  226    H    ILE  27           H        ILE  27 -12.508  -2.261  -8.394
  227    HA   ILE  27           HA       ILE  27 -14.408  -4.258  -9.050
  228    HB   ILE  27           HB       ILE  27 -14.599  -1.898  -7.135
  229   1HG1  ILE  27          2HG1      ILE  27 -12.578  -3.225  -6.713
  230   2HG1  ILE  27          1HG1      ILE  27 -13.754  -3.502  -5.437
  231   1HG2  ILE  27          1HG2      ILE  27 -16.771  -2.928  -7.401
  232   2HG2  ILE  27          2HG2      ILE  27 -16.110  -3.428  -5.845
  233   3HG2  ILE  27          3HG2      ILE  27 -16.080  -4.539  -7.214
  234   1HD1  ILE  27          1HD1      ILE  27 -14.521  -5.526  -6.825
  235   2HD1  ILE  27          2HD1      ILE  27 -12.972  -5.659  -5.993
  236   3HD1  ILE  27          3HD1      ILE  27 -13.018  -5.322  -7.723
  237    H    LYS  28           H        LYS  28 -14.464  -0.765  -9.544
  238    HA   LYS  28           HA       LYS  28 -17.285  -0.567 -10.114
  239   1HB   LYS  28          2HB       LYS  28 -15.203   1.330 -11.199
  240   2HB   LYS  28          1HB       LYS  28 -16.818   1.691 -10.609
  241   1HG   LYS  28          2HG       LYS  28 -14.299   1.203  -9.072
  242   2HG   LYS  28          1HG       LYS  28 -15.426   2.527  -8.919
  243   1HD   LYS  28          2HD       LYS  28 -15.809  -0.320  -7.930
  244   2HD   LYS  28          1HD       LYS  28 -15.609   1.129  -6.956
  245   1HE   LYS  28          2HE       LYS  28 -17.897   0.909  -8.927
  246   2HE   LYS  28          1HE       LYS  28 -18.032   0.278  -7.275
  247   1HZ   LYS  28          1HZ       LYS  28 -17.297   2.430  -6.437
  248   2HZ   LYS  28          2HZ       LYS  28 -18.717   2.593  -7.355
  249   3HZ   LYS  28          3HZ       LYS  28 -17.218   3.037  -8.019
  250    H    SER  29           H        SER  29 -14.427  -1.079 -12.152
  251    HA   SER  29           HA       SER  29 -15.675  -0.724 -14.701
  252   1HB   SER  29          2HB       SER  29 -13.242  -0.832 -14.271
  253   2HB   SER  29          1HB       SER  29 -13.394  -2.530 -13.830
  254    HG   SER  29           HG       SER  29 -13.603  -3.044 -15.876
  255    H    GLU  30           H        GLU  30 -15.820  -3.371 -12.409
  256    HA   GLU  30           HA       GLU  30 -17.252  -5.048 -14.446
  257   1HB   GLU  30          2HB       GLU  30 -15.227  -5.529 -12.350
  258   2HB   GLU  30          1HB       GLU  30 -16.523  -6.722 -12.396
  259   1HG   GLU  30          2HG       GLU  30 -15.127  -5.871 -14.928
  260   2HG   GLU  30          1HG       GLU  30 -14.438  -7.125 -13.897
  261    H    HIS  31           H        HIS  31 -17.526  -3.427 -11.383
  262    HA   HIS  31           HA       HIS  31 -20.208  -4.714 -10.967
  263   1HB   HIS  31          2HB       HIS  31 -18.323  -3.592  -8.864
  264   2HB   HIS  31          1HB       HIS  31 -19.822  -4.465  -8.572
  265    HD1  HIS  31           1HD      HIS  31 -16.237  -4.963  -9.427
  266    HD2  HIS  31           2HD      HIS  31 -19.676  -7.298  -9.135
  267    HE1  HIS  31           1HE      HIS  31 -15.465  -7.373  -9.438
  268    HA   PRO  32           HA       PRO  32 -20.959  -0.260 -11.624
  269   1HB   PRO  32          2HB       PRO  32 -23.465  -0.557 -12.682
  270   2HB   PRO  32          1HB       PRO  32 -21.985  -0.702 -13.642
  271   1HG   PRO  32          2HG       PRO  32 -23.760  -2.823 -12.585
  272   2HG   PRO  32          1HG       PRO  32 -22.833  -2.769 -14.092
  273   1HD   PRO  32          2HD       PRO  32 -22.094  -4.177 -11.841
  274   2HD   PRO  32          1HD       PRO  32 -20.981  -3.656 -13.123
  275    H    GLY  33           H        GLY  33 -23.159  -2.699 -10.289
  276   1HA   GLY  33          2HA       GLY  33 -24.739  -0.798  -8.768
  277   2HA   GLY  33          1HA       GLY  33 -24.767  -2.549  -8.584
  278    H    LEU  34           H        LEU  34 -21.662  -2.287  -8.287
  279    HA   LEU  34           HA       LEU  34 -21.500  -2.525  -5.463
  280   1HB   LEU  34          2HB       LEU  34 -19.785  -2.520  -7.790
  281   2HB   LEU  34          1HB       LEU  34 -19.005  -1.621  -6.498
  282    HG   LEU  34           HG       LEU  34 -18.465  -4.068  -6.486
  283   1HD1  LEU  34          1HD1      LEU  34 -18.074  -3.150  -4.411
  284   2HD1  LEU  34          2HD1      LEU  34 -19.315  -4.328  -3.986
  285   3HD1  LEU  34          3HD1      LEU  34 -19.746  -2.630  -4.203
  286   1HD2  LEU  34          1HD2      LEU  34 -21.102  -4.469  -7.040
  287   2HD2  LEU  34          2HD2      LEU  34 -21.104  -4.727  -5.295
  288   3HD2  LEU  34          3HD2      LEU  34 -20.060  -5.702  -6.331
  289    H    SER  35           H        SER  35 -22.776  -0.566  -4.778
  290    HA   SER  35           HA       SER  35 -21.697   2.112  -5.170
  291   1HB   SER  35          2HB       SER  35 -23.429   2.657  -3.456
  292   2HB   SER  35          1HB       SER  35 -24.073   1.642  -4.745
  293    HG   SER  35           HG       SER  35 -24.467   1.055  -2.415
  294    H    ILE  36           H        ILE  36 -21.134   3.435  -3.077
  295    HA   ILE  36           HA       ILE  36 -18.727   2.541  -1.922
  296    HB   ILE  36           HB       ILE  36 -20.852   4.427  -0.852
  297   1HG1  ILE  36          2HG1      ILE  36 -19.979   5.035  -3.082
  298   2HG1  ILE  36          1HG1      ILE  36 -19.418   6.175  -1.863
  299   1HG2  ILE  36          1HG2      ILE  36 -17.974   3.970  -0.027
  300   2HG2  ILE  36          2HG2      ILE  36 -19.412   3.901   0.989
  301   3HG2  ILE  36          3HG2      ILE  36 -18.852   5.450   0.361
  302   1HD1  ILE  36          1HD1      ILE  36 -17.518   5.634  -3.232
  303   2HD1  ILE  36          2HD1      ILE  36 -17.852   3.906  -3.119
  304   3HD1  ILE  36          3HD1      ILE  36 -17.293   4.792  -1.700
  305    H    GLY  37           H        GLY  37 -22.043   1.911  -0.900
  306   1HA   GLY  37          2HA       GLY  37 -21.531   0.959   1.735
  307   2HA   GLY  37          1HA       GLY  37 -22.901   0.465   0.738
  308    H    ASP  38           H        ASP  38 -22.256  -1.116  -1.086
  309    HA   ASP  38           HA       ASP  38 -21.080  -3.473   0.092
  310   1HB   ASP  38          2HB       ASP  38 -22.196  -2.578  -2.523
  311   2HB   ASP  38          1HB       ASP  38 -21.175  -4.017  -2.551
  312    H    THR  39           H        THR  39 -19.784  -0.882  -1.909
  313    HA   THR  39           HA       THR  39 -17.384  -2.217  -2.793
  314    HB   THR  39           HB       THR  39 -18.050   0.711  -2.338
  315    HG1  THR  39           1HG      THR  39 -18.078  -0.908  -4.666
  316   1HG2  THR  39          1HG2      THR  39 -15.765  -0.645  -3.785
  317   2HG2  THR  39          2HG2      THR  39 -15.666   0.554  -2.496
  318   3HG2  THR  39          3HG2      THR  39 -16.230   1.028  -4.098
  319    H    ALA  40           H        ALA  40 -18.276  -0.541   0.170
  320    HA   ALA  40           HA       ALA  40 -15.563  -0.308   1.207
  321   1HB   ALA  40          1HB       ALA  40 -16.864   0.204   3.321
  322   2HB   ALA  40          2HB       ALA  40 -18.338  -0.166   2.426
  323   3HB   ALA  40          3HB       ALA  40 -17.324   1.191   1.934
  324    H    LYS  41           H        LYS  41 -18.304  -2.516   1.829
  325    HA   LYS  41           HA       LYS  41 -16.690  -4.200   3.603
  326   1HB   LYS  41          2HB       LYS  41 -18.782  -5.446   3.836
  327   2HB   LYS  41          1HB       LYS  41 -19.098  -3.719   3.955
  328   1HG   LYS  41          2HG       LYS  41 -19.546  -3.889   1.376
  329   2HG   LYS  41          1HG       LYS  41 -19.733  -5.607   1.700
  330   1HD   LYS  41          2HD       LYS  41 -21.913  -4.522   1.846
  331   2HD   LYS  41          1HD       LYS  41 -21.422  -5.069   3.447
  332   1HE   LYS  41          2HE       LYS  41 -20.376  -2.434   3.154
  333   2HE   LYS  41          1HE       LYS  41 -22.062  -2.387   2.599
  334   1HZ   LYS  41          1HZ       LYS  41 -21.998  -2.139   4.985
  335   2HZ   LYS  41          2HZ       LYS  41 -21.080  -3.560   5.149
  336   3HZ   LYS  41          3HZ       LYS  41 -22.686  -3.640   4.599
  337    H    LYS  42           H        LYS  42 -17.186  -4.084   0.179
  338    HA   LYS  42           HA       LYS  42 -16.911  -6.950  -0.314
  339   1HB   LYS  42          2HB       LYS  42 -18.065  -5.428  -1.865
  340   2HB   LYS  42          1HB       LYS  42 -16.590  -4.483  -2.063
  341   1HG   LYS  42          2HG       LYS  42 -16.775  -5.948  -3.968
  342   2HG   LYS  42          1HG       LYS  42 -15.479  -6.574  -2.949
  343   1HD   LYS  42          2HD       LYS  42 -16.589  -8.553  -3.120
  344   2HD   LYS  42          1HD       LYS  42 -17.657  -7.868  -1.896
  345   1HE   LYS  42          2HE       LYS  42 -19.362  -7.516  -3.392
  346   2HE   LYS  42          1HE       LYS  42 -18.247  -7.116  -4.716
  347   1HZ   LYS  42          1HZ       LYS  42 -18.684  -9.825  -3.570
  348   2HZ   LYS  42          2HZ       LYS  42 -17.583  -9.444  -4.806
  349   3HZ   LYS  42          3HZ       LYS  42 -19.253  -9.288  -5.075
  350    H    LEU  43           H        LEU  43 -14.733  -4.176  -1.010
  351    HA   LEU  43           HA       LEU  43 -12.410  -5.625  -1.669
  352   1HB   LEU  43          2HB       LEU  43 -12.981  -2.947  -0.420
  353   2HB   LEU  43          1HB       LEU  43 -11.313  -3.470  -0.641
  354    HG   LEU  43           HG       LEU  43 -12.424  -4.081  -3.089
  355   1HD1  LEU  43          1HD1      LEU  43 -14.528  -2.985  -2.605
  356   2HD1  LEU  43          2HD1      LEU  43 -13.635  -1.975  -3.742
  357   3HD1  LEU  43          3HD1      LEU  43 -13.695  -1.540  -2.033
  358   1HD2  LEU  43          1HD2      LEU  43 -10.288  -2.996  -2.853
  359   2HD2  LEU  43          2HD2      LEU  43 -11.027  -1.570  -2.123
  360   3HD2  LEU  43          3HD2      LEU  43 -11.298  -1.928  -3.829
  361    H    GLY  44           H        GLY  44 -13.788  -4.965   1.503
  362   1HA   GLY  44          2HA       GLY  44 -11.442  -5.697   3.035
  363   2HA   GLY  44          1HA       GLY  44 -13.088  -5.584   3.664
  364    H    GLU  45           H        GLU  45 -14.396  -7.425   2.035
  365    HA   GLU  45           HA       GLU  45 -13.965  -9.907   3.315
  366   1HB   GLU  45          2HB       GLU  45 -15.351  -8.900   0.872
  367   2HB   GLU  45          1HB       GLU  45 -15.151 -10.647   1.017
  368   1HG   GLU  45          2HG       GLU  45 -16.226  -8.998   3.304
  369   2HG   GLU  45          1HG       GLU  45 -17.289  -9.610   2.035
  370    H    MET  46           H        MET  46 -12.535  -8.618   0.346
  371    HA   MET  46           HA       MET  46 -11.248 -11.124  -0.435
  372   1HB   MET  46          2HB       MET  46 -10.848  -8.216  -1.221
  373   2HB   MET  46          1HB       MET  46 -10.114  -9.584  -2.058
  374   1HG   MET  46          2HG       MET  46 -13.099  -9.388  -1.643
  375   2HG   MET  46          1HG       MET  46 -12.305  -8.673  -3.046
  376   1HE   MET  46          1HE       MET  46 -12.087 -10.334  -5.382
  377   2HE   MET  46          2HE       MET  46 -10.706 -11.342  -4.953
  378   3HE   MET  46          3HE       MET  46 -10.768  -9.667  -4.409
  379    H    TRP  47           H        TRP  47 -10.106  -8.037   0.957
  380    HA   TRP  47           HA       TRP  47  -7.380  -8.576   1.301
  381   1HB   TRP  47          2HB       TRP  47  -8.672  -6.465   1.781
  382   2HB   TRP  47          1HB       TRP  47  -9.212  -7.202   3.290
  383    HD1  TRP  47           HD       TRP  47  -7.676  -6.943   5.308
  384    HE1  TRP  47           1HE      TRP  47  -5.250  -6.151   5.677
  385    HE3  TRP  47           3HE      TRP  47  -6.168  -6.430   0.456
  386    HZ2  TRP  47           2HZ      TRP  47  -2.971  -5.400   4.120
  387    HZ3  TRP  47           3HZ      TRP  47  -3.866  -5.676  -0.072
  388    HH2  TRP  47           HH       TRP  47  -2.268  -5.160   1.751
  389    H    SER  48           H        SER  48  -9.952  -9.250   3.726
  390    HA   SER  48           HA       SER  48  -8.263 -10.591   5.607
  391   1HB   SER  48          2HB       SER  48 -10.588  -9.660   5.940
  392   2HB   SER  48          1HB       SER  48 -11.210 -11.042   5.040
  393    HG   SER  48           HG       SER  48 -11.235 -11.474   7.258
  394    H    GLU  49           H        GLU  49 -10.048 -11.752   2.777
  395    HA   GLU  49           HA       GLU  49  -9.779 -14.571   3.242
  396   1HB   GLU  49          2HB       GLU  49 -10.357 -12.713   0.987
  397   2HB   GLU  49          1HB       GLU  49  -9.866 -14.349   0.547
  398   1HG   GLU  49          2HG       GLU  49 -11.999 -13.868   2.626
  399   2HG   GLU  49          1HG       GLU  49 -12.393 -13.916   0.908
  400    H    GLN  50           H        GLN  50  -7.688 -12.217   1.581
  401    HA   GLN  50           HA       GLN  50  -5.769 -13.984   0.465
  402   1HB   GLN  50          2HB       GLN  50  -5.541 -11.192   1.628
  403   2HB   GLN  50          1HB       GLN  50  -4.290 -11.950   0.642
  404   1HG   GLN  50          2HG       GLN  50  -7.134 -11.763  -0.340
  405   2HG   GLN  50          1HG       GLN  50  -6.009 -10.423  -0.557
  406   1HE2  GLN  50          1HE2      GLN  50  -4.477 -10.596  -2.245
  407   2HE2  GLN  50          2HE2      GLN  50  -4.280 -11.982  -3.204
  408    H    SER  51           H        SER  51  -3.633 -14.556   1.259
  409    HA   SER  51           HA       SER  51  -3.616 -15.249   4.132
  410   1HB   SER  51          2HB       SER  51  -3.022 -16.804   2.224
  411   2HB   SER  51          1HB       SER  51  -1.607 -15.801   1.921
  412    HG   SER  51           HG       SER  51  -2.250 -17.314   4.230
  413    H    ALA  52           H        ALA  52  -0.620 -15.162   4.196
  414    HA   ALA  52           HA       ALA  52  -0.340 -12.323   4.970
  415   1HB   ALA  52          1HB       ALA  52   1.543 -14.698   5.160
  416   2HB   ALA  52          2HB       ALA  52   0.386 -14.227   6.405
  417   3HB   ALA  52          3HB       ALA  52   1.730 -13.159   6.002
  418    H    LYS  53           H        LYS  53  -0.592 -12.537   2.178
  419    HA   LYS  53           HA       LYS  53   2.209 -11.986   1.246
  420   1HB   LYS  53          2HB       LYS  53  -0.094 -13.514   0.037
  421   2HB   LYS  53          1HB       LYS  53   1.171 -12.839  -0.990
  422   1HG   LYS  53          2HG       LYS  53   2.820 -14.008   0.642
  423   2HG   LYS  53          1HG       LYS  53   1.414 -14.946   1.151
  424   1HD   LYS  53          2HD       LYS  53   1.108 -15.870  -1.009
  425   2HD   LYS  53          1HD       LYS  53   2.152 -14.665  -1.763
  426   1HE   LYS  53          2HE       LYS  53   3.463 -16.675  -1.635
  427   2HE   LYS  53          1HE       LYS  53   4.049 -15.645  -0.312
  428   1HZ   LYS  53          1HZ       LYS  53   1.943 -17.732  -0.074
  429   2HZ   LYS  53          2HZ       LYS  53   2.497 -16.734   1.185
  430   3HZ   LYS  53          3HZ       LYS  53   3.538 -17.880   0.485
  431    H    ASP  54           H        ASP  54  -1.262 -11.327   0.730
  432    HA   ASP  54           HA       ASP  54  -1.087  -9.242  -1.161
  433   1HB   ASP  54          2HB       ASP  54  -3.294  -8.579  -0.212
  434   2HB   ASP  54          1HB       ASP  54  -3.165 -10.324  -0.423
  435    H    LYS  55           H        LYS  55  -0.355  -9.173   2.284
  436    HA   LYS  55           HA       LYS  55  -0.040  -6.201   2.175
  437   1HB   LYS  55          2HB       LYS  55  -1.486  -7.474   3.892
  438   2HB   LYS  55          1HB       LYS  55   0.042  -7.982   4.612
  439   1HG   LYS  55          2HG       LYS  55   0.690  -5.532   4.709
  440   2HG   LYS  55          1HG       LYS  55  -0.970  -5.151   4.247
  441   1HD   LYS  55          2HD       LYS  55  -1.765  -6.471   6.224
  442   2HD   LYS  55          1HD       LYS  55  -0.083  -6.671   6.715
  443   1HE   LYS  55          2HE       LYS  55  -1.197  -3.914   6.188
  444   2HE   LYS  55          1HE       LYS  55  -1.405  -4.695   7.768
  445   1HZ   LYS  55          1HZ       LYS  55   1.177  -4.335   6.339
  446   2HZ   LYS  55          2HZ       LYS  55   0.977  -5.111   7.837
  447   3HZ   LYS  55          3HZ       LYS  55   0.670  -3.446   7.692
  448    H    GLN  56           H        GLN  56   1.939  -8.296   1.130
  449    HA   GLN  56           HA       GLN  56   4.212  -7.856   3.004
  450   1HB   GLN  56          2HB       GLN  56   3.394  -9.853   1.007
  451   2HB   GLN  56          1HB       GLN  56   5.104  -9.439   0.920
  452   1HG   GLN  56          2HG       GLN  56   3.790 -10.056   3.563
  453   2HG   GLN  56          1HG       GLN  56   4.405 -11.346   2.530
  454   1HE2  GLN  56          1HE2      GLN  56   5.315  -8.947   4.842
  455   2HE2  GLN  56          2HE2      GLN  56   6.996  -9.136   4.701
  456    HA   PRO  57           HA       PRO  57   5.983  -5.919  -0.914
  457   1HB   PRO  57          2HB       PRO  57   4.610  -5.907  -3.258
  458   2HB   PRO  57          1HB       PRO  57   5.623  -7.272  -2.748
  459   1HG   PRO  57          2HG       PRO  57   2.697  -6.999  -2.763
  460   2HG   PRO  57          1HG       PRO  57   3.691  -8.448  -2.935
  461   1HD   PRO  57          2HD       PRO  57   2.324  -7.614  -0.634
  462   2HD   PRO  57          1HD       PRO  57   3.556  -8.886  -0.730
  463    H    TYR  58           H        TYR  58   2.447  -5.521  -0.905
  464    HA   TYR  58           HA       TYR  58   2.558  -2.702  -1.675
  465   1HB   TYR  58          2HB       TYR  58   0.655  -4.835  -1.435
  466   2HB   TYR  58          1HB       TYR  58   0.056  -3.470  -0.495
  467    HD1  TYR  58           1HD      TYR  58   0.035  -1.153  -1.626
  468    HD2  TYR  58           2HD      TYR  58   0.483  -4.838  -3.786
  469    HE1  TYR  58           1HE      TYR  58  -0.644  -0.009  -3.718
  470    HE2  TYR  58           2HE      TYR  58  -0.197  -3.695  -5.878
  471    HH   TYR  58           HH       TYR  58  -1.801  -1.078  -6.103
  472    H    GLU  59           H        GLU  59   3.476  -4.090   1.187
  473    HA   GLU  59           HA       GLU  59   2.156  -2.092   2.942
  474   1HB   GLU  59          2HB       GLU  59   3.007  -3.518   4.724
  475   2HB   GLU  59          1HB       GLU  59   2.288  -4.537   3.486
  476   1HG   GLU  59          2HG       GLU  59   4.250  -5.685   3.535
  477   2HG   GLU  59          1HG       GLU  59   4.900  -4.332   2.615
  478    H    GLN  60           H        GLN  60   5.187  -2.674   1.326
  479    HA   GLN  60           HA       GLN  60   6.836  -1.044   3.097
  480   1HB   GLN  60          2HB       GLN  60   8.508  -1.414   1.324
  481   2HB   GLN  60          1HB       GLN  60   7.668  -2.918   1.688
  482   1HG   GLN  60          2HG       GLN  60   6.061  -1.939  -0.277
  483   2HG   GLN  60          1HG       GLN  60   7.613  -1.268  -0.777
  484   1HE2  GLN  60          1HE2      GLN  60   8.141  -2.685  -2.503
  485   2HE2  GLN  60          2HE2      GLN  60   8.315  -4.363  -2.317
  486    H    LYS  61           H        LYS  61   4.760  -0.467   0.342
  487    HA   LYS  61           HA       LYS  61   5.814   2.005  -0.619
  488   1HB   LYS  61          2HB       LYS  61   4.120   0.652  -1.771
  489   2HB   LYS  61          1HB       LYS  61   2.980   0.919  -0.454
  490   1HG   LYS  61          2HG       LYS  61   2.775   3.239  -0.968
  491   2HG   LYS  61          1HG       LYS  61   4.180   3.202  -2.034
  492   1HD   LYS  61          2HD       LYS  61   2.811   1.442  -3.387
  493   2HD   LYS  61          1HD       LYS  61   1.423   2.089  -2.510
  494   1HE   LYS  61          2HE       LYS  61   2.399   4.425  -3.274
  495   2HE   LYS  61          1HE       LYS  61   3.177   3.449  -4.535
  496   1HZ   LYS  61          1HZ       LYS  61   1.046   2.467  -5.065
  497   2HZ   LYS  61          2HZ       LYS  61   0.942   4.158  -5.196
  498   3HZ   LYS  61          3HZ       LYS  61   0.286   3.365  -3.844
  499    H    ALA  62           H        ALA  62   3.471   1.303   1.978
  500    HA   ALA  62           HA       ALA  62   2.937   4.078   2.624
  501   1HB   ALA  62          1HB       ALA  62   2.448   1.372   3.822
  502   2HB   ALA  62          2HB       ALA  62   1.280   2.581   3.289
  503   3HB   ALA  62          3HB       ALA  62   2.149   2.804   4.808
  504    H    ALA  63           H        ALA  63   5.666   2.085   3.224
  505    HA   ALA  63           HA       ALA  63   6.419   3.536   5.709
  506   1HB   ALA  63          1HB       ALA  63   7.814   1.301   4.209
  507   2HB   ALA  63          2HB       ALA  63   6.578   1.033   5.437
  508   3HB   ALA  63          3HB       ALA  63   8.104   1.800   5.876
  509    H    LYS  64           H        LYS  64   6.648   4.197   2.472
  510    HA   LYS  64           HA       LYS  64   9.444   5.242   2.611
  511   1HB   LYS  64          2HB       LYS  64   7.486   4.703   0.355
  512   2HB   LYS  64          1HB       LYS  64   9.077   5.423   0.117
  513   1HG   LYS  64          2HG       LYS  64   8.702   2.777   1.529
  514   2HG   LYS  64          1HG       LYS  64   8.919   2.887  -0.218
  515   1HD   LYS  64          2HD       LYS  64  11.136   2.756   0.291
  516   2HD   LYS  64          1HD       LYS  64  10.963   4.475   0.643
  517   1HE   LYS  64          2HE       LYS  64  11.840   3.829   2.679
  518   2HE   LYS  64          1HE       LYS  64  10.148   3.416   3.018
  519   1HZ   LYS  64          1HZ       LYS  64  11.647   1.526   3.404
  520   2HZ   LYS  64          2HZ       LYS  64  12.130   1.583   1.776
  521   3HZ   LYS  64          3HZ       LYS  64  10.523   1.203   2.176
  522    H    LEU  65           H        LEU  65   6.094   6.146   1.862
  523    HA   LEU  65           HA       LEU  65   6.730   8.969   1.447
  524   1HB   LEU  65          2HB       LEU  65   4.300   9.135   1.161
  525   2HB   LEU  65          1HB       LEU  65   4.888   7.700   0.327
  526    HG   LEU  65           HG       LEU  65   4.377   6.626   2.755
  527   1HD1  LEU  65          1HD1      LEU  65   1.990   8.389   2.486
  528   2HD1  LEU  65          2HD1      LEU  65   3.434   9.106   3.201
  529   3HD1  LEU  65          3HD1      LEU  65   2.706   7.676   3.932
  530   1HD2  LEU  65          1HD2      LEU  65   2.258   7.114   0.633
  531   2HD2  LEU  65          2HD2      LEU  65   2.314   5.768   1.772
  532   3HD2  LEU  65          3HD2      LEU  65   3.531   5.901   0.503
  533    H    LYS  66           H        LYS  66   6.655   7.133   4.255
  534    HA   LYS  66           HA       LYS  66   5.327   9.162   5.949
  535   1HB   LYS  66          2HB       LYS  66   5.147   6.592   6.112
  536   2HB   LYS  66          1HB       LYS  66   6.783   6.639   6.769
  537   1HG   LYS  66          2HG       LYS  66   6.123   7.824   8.682
  538   2HG   LYS  66          1HG       LYS  66   4.643   8.412   7.923
  539   1HD   LYS  66          2HD       LYS  66   3.957   6.702   9.446
  540   2HD   LYS  66          1HD       LYS  66   3.876   5.978   7.839
  541   1HE   LYS  66          2HE       LYS  66   6.305   5.177   8.291
  542   2HE   LYS  66          1HE       LYS  66   5.947   5.532   9.993
  543   1HZ   LYS  66          1HZ       LYS  66   4.319   3.816   8.192
  544   2HZ   LYS  66          2HZ       LYS  66   3.931   4.196   9.802
  545   3HZ   LYS  66          3HZ       LYS  66   5.309   3.265   9.454
  546    H    GLU  67           H        GLU  67   8.521   8.205   4.887
  547    HA   GLU  67           HA       GLU  67   9.938   9.507   7.113
  548   1HB   GLU  67          2HB       GLU  67  10.659   8.179   4.495
  549   2HB   GLU  67          1HB       GLU  67  11.881   8.985   5.480
  550   1HG   GLU  67          2HG       GLU  67  11.042   7.563   7.432
  551   2HG   GLU  67          1HG       GLU  67  10.152   6.622   6.235
  552    H    LYS  68           H        LYS  68   8.444  10.522   4.186
  553    HA   LYS  68           HA       LYS  68  10.159  12.963   3.993
  554   1HB   LYS  68          2HB       LYS  68   9.160  11.159   2.116
  555   2HB   LYS  68          1HB       LYS  68   8.059  12.530   1.982
  556   1HG   LYS  68          2HG       LYS  68  10.128  14.016   1.861
  557   2HG   LYS  68          1HG       LYS  68  11.067  12.535   1.661
  558   1HD   LYS  68          2HD       LYS  68  10.634  13.179  -0.557
  559   2HD   LYS  68          1HD       LYS  68   9.367  11.992  -0.239
  560   1HE   LYS  68          2HE       LYS  68   7.699  13.640  -0.025
  561   2HE   LYS  68          1HE       LYS  68   8.882  14.926   0.291
  562   1HZ   LYS  68          1HZ       LYS  68   8.102  15.018  -2.001
  563   2HZ   LYS  68          2HZ       LYS  68   8.603  13.415  -2.255
  564   3HZ   LYS  68          3HZ       LYS  68   9.752  14.629  -1.945
  565    H    TYR  69           H        TYR  69   6.904  11.770   4.600
  566    HA   TYR  69           HA       TYR  69   5.589  14.371   4.583
  567   1HB   TYR  69          2HB       TYR  69   4.275  12.444   4.115
  568   2HB   TYR  69          1HB       TYR  69   4.960  11.544   5.460
  569    HD1  TYR  69           1HD      TYR  69   3.444  14.977   5.287
  570    HD2  TYR  69           2HD      TYR  69   3.230  11.017   6.932
  571    HE1  TYR  69           1HE      TYR  69   1.553  15.677   6.730
  572    HE2  TYR  69           2HE      TYR  69   1.341  11.718   8.377
  573    HH   TYR  69           HH       TYR  69  -0.503  13.634   8.188
  574    H    GLU  70           H        GLU  70   6.507  12.099   7.202
  575    HA   GLU  70           HA       GLU  70   5.821  13.709   9.420
  576   1HB   GLU  70          2HB       GLU  70   7.833  11.539   8.873
  577   2HB   GLU  70          1HB       GLU  70   7.760  12.291  10.467
  578   1HG   GLU  70          2HG       GLU  70   5.292  11.207   9.101
  579   2HG   GLU  70          1HG       GLU  70   6.317  10.193  10.118
  580    H    LYS  71           H        LYS  71   8.494  14.105   7.203
  581    HA   LYS  71           HA       LYS  71   9.867  15.958   9.106
  582   1HB   LYS  71          2HB       LYS  71  10.635  14.382   6.656
  583   2HB   LYS  71          1HB       LYS  71  11.635  15.734   7.190
  584   1HG   LYS  71          2HG       LYS  71  11.972  14.715   9.357
  585   2HG   LYS  71          1HG       LYS  71  10.810  13.441   8.990
  586   1HD   LYS  71          2HD       LYS  71  12.350  12.901   6.975
  587   2HD   LYS  71          1HD       LYS  71  13.558  13.866   7.827
  588   1HE   LYS  71          2HE       LYS  71  13.743  12.338   9.575
  589   2HE   LYS  71          1HE       LYS  71  12.096  11.717   9.340
  590   1HZ   LYS  71          1HZ       LYS  71  14.334  11.382   7.413
  591   2HZ   LYS  71          2HZ       LYS  71  12.766  10.749   7.251
  592   3HZ   LYS  71          3HZ       LYS  71  13.792  10.181   8.480
  593    H    ASP  72           H        ASP  72   8.220  15.819   5.985
  594    HA   ASP  72           HA       ASP  72   8.979  18.570   5.254
  595   1HB   ASP  72          2HB       ASP  72   8.703  16.652   3.659
  596   2HB   ASP  72          1HB       ASP  72   6.979  16.645   4.032
  597    H    ILE  73           H        ILE  73   6.046  16.865   6.380
  598    HA   ILE  73           HA       ILE  73   4.226  19.045   6.117
  599    HB   ILE  73           HB       ILE  73   3.740  16.598   6.517
  600   1HG1  ILE  73          2HG1      ILE  73   1.838  17.127   8.186
  601   2HG1  ILE  73          1HG1      ILE  73   2.469  18.775   8.172
  602   1HG2  ILE  73          1HG2      ILE  73   5.422  16.630   8.554
  603   2HG2  ILE  73          2HG2      ILE  73   3.996  15.593   8.600
  604   3HG2  ILE  73          3HG2      ILE  73   3.994  17.133   9.459
  605   1HD1  ILE  73          1HD1      ILE  73   1.851  17.304   5.608
  606   2HD1  ILE  73          2HD1      ILE  73   2.043  19.039   5.855
  607   3HD1  ILE  73          3HD1      ILE  73   0.610  18.214   6.469
  608    H    ALA  74           H        ALA  74   6.762  18.497   8.444
  609    HA   ALA  74           HA       ALA  74   5.780  20.010  10.663
  610   1HB   ALA  74          1HB       ALA  74   7.722  18.577  10.829
  611   2HB   ALA  74          2HB       ALA  74   8.267  20.227  11.129
  612   3HB   ALA  74          3HB       ALA  74   8.555  19.475   9.559
  613    H    ALA  75           H        ALA  75   7.469  20.975   7.694
  614    HA   ALA  75           HA       ALA  75   7.480  23.825   8.524
  615   1HB   ALA  75          1HB       ALA  75   8.548  22.270   6.149
  616   2HB   ALA  75          2HB       ALA  75   9.478  22.911   7.504
  617   3HB   ALA  75          3HB       ALA  75   8.745  24.013   6.340
  618    H    TYR  76           H        TYR  76   5.760  21.618   6.402
  619    HA   TYR  76           HA       TYR  76   4.571  23.508   4.605
  620   1HB   TYR  76          2HB       TYR  76   4.666  20.980   4.448
  621   2HB   TYR  76          1HB       TYR  76   3.398  20.922   5.674
  622    HD1  TYR  76           1HD      TYR  76   1.118  21.463   5.148
  623    HD2  TYR  76           2HD      TYR  76   4.220  22.044   2.234
  624    HE1  TYR  76           1HE      TYR  76  -0.598  21.829   3.394
  625    HE2  TYR  76           2HE      TYR  76   2.505  22.409   0.481
  626    HH   TYR  76           HH       TYR  76  -0.446  23.240   0.943
  627    H    ARG  77           H        ARG  77   3.782  22.541   7.899
  628    HA   ARG  77           HA       ARG  77   1.130  23.777   7.913
  629   1HB   ARG  77          2HB       ARG  77   3.018  22.503   9.878
  630   2HB   ARG  77          1HB       ARG  77   1.612  23.383  10.475
  631   1HG   ARG  77          2HG       ARG  77   0.102  21.963   9.254
  632   2HG   ARG  77          1HG       ARG  77   1.434  21.205   8.380
  633   1HD   ARG  77          2HD       ARG  77   2.230  20.100  10.359
  634   2HD   ARG  77          1HD       ARG  77   1.157  21.059  11.399
  635    HE   ARG  77           HE       ARG  77   0.171  19.066   9.392
  636   1HH1  ARG  77          1HH1      ARG  77  -1.435  21.422  10.779
  637   2HH1  ARG  77          2HH1      ARG  77  -2.342  20.491  11.925
  638   1HH2  ARG  77          1HH2      ARG  77  -0.424  17.631  11.520
  639   2HH2  ARG  77          2HH2      ARG  77  -1.769  18.345  12.345
  640    H    ALA  78           H        ALA  78   3.818  24.511  10.142
  641    HA   ALA  78           HA       ALA  78   4.577  26.569  11.014
  642   1HB   ALA  78          1HB       ALA  78   5.155  28.139   9.324
  643   2HB   ALA  78          2HB       ALA  78   3.780  27.682   8.319
  644   3HB   ALA  78          3HB       ALA  78   5.149  26.583   8.493
  645    H    LYS  79           H        LYS  79   1.936  26.002  11.744
  646    HA   LYS  79           HA       LYS  79   0.742  28.742  11.799
  647   1HB   LYS  79          2HB       LYS  79  -1.470  27.682  11.425
  648   2HB   LYS  79          1HB       LYS  79  -0.376  27.388  10.076
  649   1HG   LYS  79          2HG       LYS  79   0.104  25.267  11.853
  650   2HG   LYS  79          1HG       LYS  79  -1.646  25.475  11.871
  651   1HD   LYS  79          2HD       LYS  79  -0.089  25.373   9.284
  652   2HD   LYS  79          1HD       LYS  79  -0.680  23.910  10.069
  653   1HE   LYS  79          2HE       LYS  79  -2.980  25.185  10.132
  654   2HE   LYS  79          1HE       LYS  79  -2.258  26.151   8.828
  655   1HZ   LYS  79          1HZ       LYS  79  -1.689  24.104   7.674
  656   2HZ   LYS  79          2HZ       LYS  79  -3.366  24.188   7.937
  657   3HZ   LYS  79          3HZ       LYS  79  -2.399  23.182   8.908
  Start of MODEL    2
    1   1H    MET   1          1HT       MET   1 -11.155  14.058  -3.949
    2   2H    MET   1          2HT       MET   1 -10.971  14.135  -2.262
    3   3H    MET   1          3HT       MET   1 -11.834  12.852  -2.968
    4    HA   MET   1           HA       MET   1  -9.624  12.111  -2.295
    5   1HB   MET   1          2HB       MET   1 -11.013  11.556  -4.497
    6   2HB   MET   1          1HB       MET   1  -9.626  12.308  -5.286
    7   1HG   MET   1          2HG       MET   1  -8.104  10.750  -4.176
    8   2HG   MET   1          1HG       MET   1  -9.449  10.036  -3.285
    9   1HE   MET   1          1HE       MET   1  -7.213   8.614  -5.620
   10   2HE   MET   1          2HE       MET   1  -8.356   7.280  -5.741
   11   3HE   MET   1          3HE       MET   1  -8.079   8.055  -4.183
   12    H    LYS   2           H        LYS   2  -7.308  12.293  -2.671
   13    HA   LYS   2           HA       LYS   2  -5.297  13.498  -2.854
   14   1HB   LYS   2          2HB       LYS   2  -6.979  14.251  -5.203
   15   2HB   LYS   2          1HB       LYS   2  -5.526  15.207  -4.915
   16   1HG   LYS   2          2HG       LYS   2  -4.557  13.533  -6.148
   17   2HG   LYS   2          1HG       LYS   2  -4.491  12.743  -4.573
   18   1HD   LYS   2          2HD       LYS   2  -5.549  11.070  -5.745
   19   2HD   LYS   2          1HD       LYS   2  -6.971  12.006  -5.285
   20   1HE   LYS   2          2HE       LYS   2  -6.141  13.275  -7.607
   21   2HE   LYS   2          1HE       LYS   2  -5.813  11.562  -7.940
   22   1HZ   LYS   2          1HZ       LYS   2  -8.123  12.143  -8.446
   23   2HZ   LYS   2          2HZ       LYS   2  -8.355  12.637  -6.837
   24   3HZ   LYS   2          3HZ       LYS   2  -8.031  11.008  -7.188
   25    H    LYS   3           H        LYS   3  -7.272  16.235  -3.981
   26    HA   LYS   3           HA       LYS   3  -7.546  18.396  -3.072
   27   1HB   LYS   3          2HB       LYS   3  -8.717  16.670  -1.458
   28   2HB   LYS   3          1HB       LYS   3  -7.405  17.101  -0.360
   29   1HG   LYS   3          2HG       LYS   3  -8.019  19.539  -0.791
   30   2HG   LYS   3          1HG       LYS   3  -9.482  18.937  -1.572
   31   1HD   LYS   3          2HD       LYS   3  -9.938  17.627   0.562
   32   2HD   LYS   3          1HD       LYS   3  -8.639  18.556   1.308
   33   1HE   LYS   3          2HE       LYS   3  -9.909  20.654   0.465
   34   2HE   LYS   3          1HE       LYS   3 -11.287  19.556   0.254
   35   1HZ   LYS   3          1HZ       LYS   3  -9.696  19.869   2.745
   36   2HZ   LYS   3          2HZ       LYS   3 -11.011  18.815   2.534
   37   3HZ   LYS   3          3HZ       LYS   3 -11.252  20.496   2.492
   38    H    LYS   4           H        LYS   4  -4.833  17.638  -3.604
   39    HA   LYS   4           HA       LYS   4  -3.427  19.563  -1.949
   40   1HB   LYS   4          2HB       LYS   4  -3.338  16.644  -1.441
   41   2HB   LYS   4          1HB       LYS   4  -1.773  17.453  -1.452
   42   1HG   LYS   4          2HG       LYS   4  -3.119  19.222   0.046
   43   2HG   LYS   4          1HG       LYS   4  -4.060  17.781   0.431
   44   1HD   LYS   4          2HD       LYS   4  -2.220  16.669   1.366
   45   2HD   LYS   4          1HD       LYS   4  -1.054  17.690   0.522
   46   1HE   LYS   4          2HE       LYS   4  -0.995  18.504   2.751
   47   2HE   LYS   4          1HE       LYS   4  -2.094  19.634   1.935
   48   1HZ   LYS   4          1HZ       LYS   4  -3.956  18.216   2.598
   49   2HZ   LYS   4          2HZ       LYS   4  -3.114  18.799   3.954
   50   3HZ   LYS   4          3HZ       LYS   4  -2.892  17.196   3.439
   51    H    ASP   5           H        ASP   5  -0.821  18.872  -2.481
   52    HA   ASP   5           HA       ASP   5  -0.738  18.625  -5.473
   53   1HB   ASP   5          2HB       ASP   5   0.404  20.555  -3.510
   54   2HB   ASP   5          1HB       ASP   5   1.425  20.128  -4.884
   55    HA   PRO   6           HA       PRO   6   2.293  15.475  -4.912
   56   1HB   PRO   6          2HB       PRO   6   4.091  15.966  -6.914
   57   2HB   PRO   6          1HB       PRO   6   2.473  15.297  -7.209
   58   1HG   PRO   6          2HG       PRO   6   3.461  18.084  -7.544
   59   2HG   PRO   6          1HG       PRO   6   2.334  17.156  -8.547
   60   1HD   PRO   6          2HD       PRO   6   1.546  19.056  -6.755
   61   2HD   PRO   6          1HD       PRO   6   0.535  17.675  -7.235
   62    H    ASN   7           H        ASN   7   3.314  18.812  -4.827
   63    HA   ASN   7           HA       ASN   7   6.060  18.282  -3.961
   64   1HB   ASN   7          2HB       ASN   7   4.235  20.693  -4.099
   65   2HB   ASN   7          1HB       ASN   7   5.886  20.799  -3.486
   66   1HD2  ASN   7          1HD2      ASN   7   4.059  21.049  -6.316
   67   2HD2  ASN   7          2HD2      ASN   7   5.305  20.816  -7.445
   68    H    ALA   8           H        ALA   8   2.936  18.848  -2.422
   69    HA   ALA   8           HA       ALA   8   4.162  19.084   0.265
   70   1HB   ALA   8          1HB       ALA   8   1.891  19.643   0.924
   71   2HB   ALA   8          2HB       ALA   8   1.256  19.033  -0.604
   72   3HB   ALA   8          3HB       ALA   8   2.245  20.493  -0.579
   73    HA   PRO   9           HA       PRO   9   3.604  14.698   0.860
   74   1HB   PRO   9          2HB       PRO   9   4.043  14.581   3.554
   75   2HB   PRO   9          1HB       PRO   9   5.350  14.782   2.373
   76   1HG   PRO   9          2HG       PRO   9   4.036  16.808   4.103
   77   2HG   PRO   9          1HG       PRO   9   5.733  16.661   3.621
   78   1HD   PRO   9          2HD       PRO   9   3.963  18.429   2.499
   79   2HD   PRO   9          1HD       PRO   9   5.408  17.805   1.674
   80    H    LYS  10           H        LYS  10   1.322  14.552   0.455
   81    HA   LYS  10           HA       LYS  10  -0.733  15.490   2.200
   82   1HB   LYS  10          2HB       LYS  10  -2.136  13.915   0.881
   83   2HB   LYS  10          1HB       LYS  10  -1.064  14.856  -0.154
   84   1HG   LYS  10          2HG       LYS  10   0.283  12.445   0.721
   85   2HG   LYS  10          1HG       LYS  10  -1.268  12.034  -0.006
   86   1HD   LYS  10          2HD       LYS  10  -0.718  13.151  -2.048
   87   2HD   LYS  10          1HD       LYS  10   0.695  13.922  -1.325
   88   1HE   LYS  10          2HE       LYS  10   0.524  10.916  -1.360
   89   2HE   LYS  10          1HE       LYS  10   1.047  11.785  -2.817
   90   1HZ   LYS  10          1HZ       LYS  10   2.921  11.300  -1.335
   91   2HZ   LYS  10          2HZ       LYS  10   2.168  12.180  -0.091
   92   3HZ   LYS  10          3HZ       LYS  10   2.678  12.970  -1.505
   93    H    ARG  11           H        ARG  11  -2.351  13.371   2.861
   94    HA   ARG  11           HA       ARG  11  -1.283  12.392   5.308
   95   1HB   ARG  11          2HB       ARG  11  -3.678  12.138   3.660
   96   2HB   ARG  11          1HB       ARG  11  -3.301  10.617   4.466
   97   1HG   ARG  11          2HG       ARG  11  -4.665  11.805   6.009
   98   2HG   ARG  11          1HG       ARG  11  -3.019  12.011   6.607
   99   1HD   ARG  11          2HD       ARG  11  -2.941  14.200   5.290
  100   2HD   ARG  11          1HD       ARG  11  -4.693  14.018   5.074
  101    HE   ARG  11           HE       ARG  11  -4.626  13.701   7.698
  102   1HH1  ARG  11          1HH2      ARG  11  -1.678  14.824   6.985
  103   2HH1  ARG  11          2HH2      ARG  11  -1.844  16.395   7.697
  104   1HH2  ARG  11          1HH1      ARG  11  -5.277  16.135   8.108
  105   2HH2  ARG  11          2HH1      ARG  11  -3.882  17.137   8.333
  106    HA   PRO  12           HA       PRO  12   1.154   9.032   3.677
  107   1HB   PRO  12          2HB       PRO  12   1.741   7.766   6.027
  108   2HB   PRO  12          1HB       PRO  12   2.536   9.267   5.518
  109   1HG   PRO  12          2HG       PRO  12   0.381   8.850   7.509
  110   2HG   PRO  12          1HG       PRO  12   1.708  10.020   7.501
  111   1HD   PRO  12          2HD       PRO  12  -0.909  10.595   6.832
  112   2HD   PRO  12          1HD       PRO  12   0.503  11.556   6.341
  113    HA   PRO  13           HA       PRO  13  -2.078   5.947   3.655
  114   1HB   PRO  13          2HB       PRO  13  -0.920   4.167   1.937
  115   2HB   PRO  13          1HB       PRO  13  -1.656   5.691   1.401
  116   1HG   PRO  13          2HG       PRO  13   1.194   4.971   1.681
  117   2HG   PRO  13          1HG       PRO  13   0.414   6.100   0.566
  118   1HD   PRO  13          2HD       PRO  13   1.821   6.777   2.886
  119   2HD   PRO  13          1HD       PRO  13   0.748   7.847   1.963
  120    H    SER  14           H        SER  14  -1.812   3.236   3.616
  121    HA   SER  14           HA       SER  14   0.343   2.306   5.375
  122   1HB   SER  14          2HB       SER  14  -2.333   3.159   6.337
  123   2HB   SER  14          1HB       SER  14  -1.728   1.645   7.001
  124    HG   SER  14           HG       SER  14  -0.850   4.236   7.357
  125    H    ALA  15           H        ALA  15  -0.045   1.163   3.014
  126    HA   ALA  15           HA       ALA  15  -0.425  -0.887   1.967
  127   1HB   ALA  15          1HB       ALA  15   0.048  -2.510   3.460
  128   2HB   ALA  15          2HB       ALA  15  -1.587  -2.406   4.107
  129   3HB   ALA  15          3HB       ALA  15  -0.307  -1.398   4.780
  130    H    PHE  16           H        PHE  16  -3.096  -1.152   4.347
  131    HA   PHE  16           HA       PHE  16  -5.113  -1.986   2.655
  132   1HB   PHE  16          2HB       PHE  16  -4.990  -1.509   5.206
  133   2HB   PHE  16          1HB       PHE  16  -5.585   0.096   4.783
  134    HD1  PHE  16           1HD      PHE  16  -7.887   0.428   4.733
  135    HD2  PHE  16           2HD      PHE  16  -6.323  -3.506   4.006
  136    HE1  PHE  16           1HE      PHE  16 -10.197  -0.462   4.571
  137    HE2  PHE  16           2HE      PHE  16  -8.633  -4.395   3.844
  138    HZ   PHE  16           HZ       PHE  16 -10.569  -2.873   4.127
  139    H    PHE  17           H        PHE  17  -4.476   1.459   3.436
  140    HA   PHE  17           HA       PHE  17  -6.439   2.610   1.735
  141   1HB   PHE  17          2HB       PHE  17  -4.757   3.562   3.541
  142   2HB   PHE  17          1HB       PHE  17  -3.735   3.862   2.134
  143    HD1  PHE  17           1HD      PHE  17  -6.740   4.854   3.945
  144    HD2  PHE  17           2HD      PHE  17  -4.550   5.322   0.279
  145    HE1  PHE  17           1HE      PHE  17  -8.069   6.878   3.408
  146    HE2  PHE  17           2HE      PHE  17  -5.878   7.346  -0.257
  147    HZ   PHE  17           HZ       PHE  17  -7.638   8.124   1.308
  148    H    LEU  18           H        LEU  18  -3.163   1.447   1.016
  149    HA   LEU  18           HA       LEU  18  -2.993   2.546  -1.652
  150   1HB   LEU  18          2HB       LEU  18  -1.638   0.106  -0.450
  151   2HB   LEU  18          1HB       LEU  18  -1.067   1.044  -1.824
  152    HG   LEU  18           HG       LEU  18  -1.284   1.999   1.050
  153   1HD1  LEU  18          1HD1      LEU  18   1.167   1.819  -0.699
  154   2HD1  LEU  18          2HD1      LEU  18   0.634   0.467   0.300
  155   3HD1  LEU  18          3HD1      LEU  18   1.085   1.996   1.053
  156   1HD2  LEU  18          1HD2      LEU  18  -1.706   3.978  -0.106
  157   2HD2  LEU  18          2HD2      LEU  18  -0.841   3.439  -1.545
  158   3HD2  LEU  18          3HD2      LEU  18   0.058   3.976  -0.125
  159    H    PHE  19           H        PHE  19  -4.099  -0.566  -0.329
  160    HA   PHE  19           HA       PHE  19  -4.542  -1.793  -2.939
  161   1HB   PHE  19          2HB       PHE  19  -4.012  -2.965  -0.780
  162   2HB   PHE  19          1HB       PHE  19  -5.610  -2.510  -0.191
  163    HD1  PHE  19           1HD      PHE  19  -7.647  -3.472  -1.181
  164    HD2  PHE  19           2HD      PHE  19  -3.736  -4.658  -2.503
  165    HE1  PHE  19           1HE      PHE  19  -8.630  -5.441  -2.323
  166    HE2  PHE  19           2HE      PHE  19  -4.718  -6.628  -3.644
  167    HZ   PHE  19           HZ       PHE  19  -7.166  -7.020  -3.554
  168    H    CYS  20           H        CYS  20  -6.773  -0.687  -0.358
  169    HA   CYS  20           HA       CYS  20  -9.210  -1.028  -1.766
  170   1HB   CYS  20          2HB       CYS  20  -8.161   0.417   0.576
  171   2HB   CYS  20          1HB       CYS  20  -9.576   1.189  -0.133
  172    HG   CYS  20           HG       CYS  20  -9.816  -1.852   0.410
  173    H    SER  21           H        SER  21  -7.284   1.969  -1.429
  174    HA   SER  21           HA       SER  21  -8.848   3.615  -3.142
  175   1HB   SER  21          2HB       SER  21  -7.049   4.311  -1.546
  176   2HB   SER  21          1HB       SER  21  -5.851   3.662  -2.662
  177    HG   SER  21           HG       SER  21  -6.222   5.275  -4.014
  178    H    GLU  22           H        GLU  22  -6.687   1.008  -3.960
  179    HA   GLU  22           HA       GLU  22  -6.530   1.946  -6.792
  180   1HB   GLU  22          2HB       GLU  22  -4.950   0.083  -5.054
  181   2HB   GLU  22          1HB       GLU  22  -4.773   0.045  -6.804
  182   1HG   GLU  22          2HG       GLU  22  -4.472   2.553  -5.130
  183   2HG   GLU  22          1HG       GLU  22  -3.118   1.552  -5.652
  184    H    TYR  23           H        TYR  23  -8.189  -0.341  -4.811
  185    HA   TYR  23           HA       TYR  23  -8.630  -2.207  -7.092
  186   1HB   TYR  23          2HB       TYR  23  -8.677  -2.282  -4.140
  187   2HB   TYR  23          1HB       TYR  23  -9.964  -3.211  -4.909
  188    HD1  TYR  23           1HD      TYR  23  -6.279  -2.581  -5.258
  189    HD2  TYR  23           2HD      TYR  23  -9.507  -5.397  -5.580
  190    HE1  TYR  23           1HE      TYR  23  -4.659  -4.374  -5.816
  191    HE2  TYR  23           2HE      TYR  23  -7.885  -7.191  -6.135
  192    HH   TYR  23           HH       TYR  23  -5.291  -7.032  -7.272
  193    H    ARG  24           H        ARG  24 -10.378   0.038  -4.970
  194    HA   ARG  24           HA       ARG  24 -13.038  -0.562  -5.462
  195   1HB   ARG  24          2HB       ARG  24 -11.636   2.113  -5.293
  196   2HB   ARG  24          1HB       ARG  24 -13.383   1.903  -5.188
  197   1HG   ARG  24          2HG       ARG  24 -13.257   0.736  -3.158
  198   2HG   ARG  24          1HG       ARG  24 -11.561   0.315  -3.397
  199   1HD   ARG  24          2HD       ARG  24 -10.844   2.563  -2.934
  200   2HD   ARG  24          1HD       ARG  24 -12.510   3.172  -3.004
  201    HE   ARG  24           HE       ARG  24 -11.781   1.101  -0.979
  202   1HH1  ARG  24          1HH1      ARG  24 -14.518   2.274  -1.012
  203   2HH1  ARG  24          2HH1      ARG  24 -14.403   3.523   0.184
  204   1HH2  ARG  24          1HH2      ARG  24 -10.935   3.557   0.200
  205   2HH2  ARG  24          2HH2      ARG  24 -12.376   4.250   0.869
  206    HA   PRO  25           HA       PRO  25 -13.039   2.117  -9.524
  207   1HB   PRO  25          2HB       PRO  25 -10.620   2.289 -10.822
  208   2HB   PRO  25          1HB       PRO  25 -11.235   3.534  -9.715
  209   1HG   PRO  25          2HG       PRO  25  -9.316   1.306  -9.169
  210   2HG   PRO  25          1HG       PRO  25  -9.214   3.015  -8.704
  211   1HD   PRO  25          2HD       PRO  25  -9.991   1.196  -6.946
  212   2HD   PRO  25          1HD       PRO  25 -10.789   2.782  -6.997
  213    H    LYS  26           H        LYS  26 -10.954  -0.654  -9.003
  214    HA   LYS  26           HA       LYS  26 -11.250  -1.858 -11.631
  215   1HB   LYS  26          2HB       LYS  26  -9.548  -2.317  -9.740
  216   2HB   LYS  26          1HB       LYS  26 -10.842  -3.245  -8.975
  217   1HG   LYS  26          2HG       LYS  26 -10.138  -3.773 -11.849
  218   2HG   LYS  26          1HG       LYS  26  -9.148  -4.472 -10.567
  219   1HD   LYS  26          2HD       LYS  26 -11.401  -5.260  -9.548
  220   2HD   LYS  26          1HD       LYS  26 -12.069  -4.937 -11.148
  221   1HE   LYS  26          2HE       LYS  26 -10.780  -6.612 -12.170
  222   2HE   LYS  26          1HE       LYS  26  -9.574  -6.609 -10.868
  223   1HZ   LYS  26          1HZ       LYS  26 -12.416  -7.417 -10.547
  224   2HZ   LYS  26          2HZ       LYS  26 -11.212  -7.472  -9.350
  225   3HZ   LYS  26          3HZ       LYS  26 -11.119  -8.500 -10.698
  226    H    ILE  27           H        ILE  27 -12.851  -2.252  -8.487
  227    HA   ILE  27           HA       ILE  27 -14.729  -4.280  -9.140
  228    HB   ILE  27           HB       ILE  27 -14.951  -1.879  -7.281
  229   1HG1  ILE  27          2HG1      ILE  27 -12.946  -3.217  -6.803
  230   2HG1  ILE  27          1HG1      ILE  27 -14.141  -3.441  -5.535
  231   1HG2  ILE  27          1HG2      ILE  27 -16.442  -4.518  -7.309
  232   2HG2  ILE  27          2HG2      ILE  27 -17.125  -2.917  -7.594
  233   3HG2  ILE  27          3HG2      ILE  27 -16.512  -3.342  -5.995
  234   1HD1  ILE  27          1HD1      ILE  27 -13.308  -5.616  -6.064
  235   2HD1  ILE  27          2HD1      ILE  27 -13.478  -5.331  -7.797
  236   3HD1  ILE  27          3HD1      ILE  27 -14.914  -5.509  -6.789
  237    H    LYS  28           H        LYS  28 -14.730  -0.823  -9.794
  238    HA   LYS  28           HA       LYS  28 -17.553  -0.616 -10.390
  239   1HB   LYS  28          2HB       LYS  28 -15.446   1.237 -11.501
  240   2HB   LYS  28          1HB       LYS  28 -17.064   1.622 -10.931
  241   1HG   LYS  28          2HG       LYS  28 -14.568   1.120  -9.355
  242   2HG   LYS  28          1HG       LYS  28 -15.647   2.491  -9.264
  243   1HD   LYS  28          2HD       LYS  28 -16.146  -0.307  -8.186
  244   2HD   LYS  28          1HD       LYS  28 -15.919   1.169  -7.259
  245   1HE   LYS  28          2HE       LYS  28 -18.182   0.904  -9.260
  246   2HE   LYS  28          1HE       LYS  28 -18.356   0.410  -7.565
  247   1HZ   LYS  28          1HZ       LYS  28 -17.507   2.611  -6.915
  248   2HZ   LYS  28          2HZ       LYS  28 -18.969   2.714  -7.775
  249   3HZ   LYS  28          3HZ       LYS  28 -17.500   3.081  -8.546
  250    H    SER  29           H        SER  29 -14.680  -1.297 -12.343
  251    HA   SER  29           HA       SER  29 -15.923  -0.998 -14.926
  252   1HB   SER  29          2HB       SER  29 -13.460  -1.080 -14.337
  253   2HB   SER  29          1HB       SER  29 -13.638  -2.817 -14.107
  254    HG   SER  29           HG       SER  29 -13.990  -3.076 -16.222
  255    H    GLU  30           H        GLU  30 -15.992  -3.558 -12.537
  256    HA   GLU  30           HA       GLU  30 -17.368  -5.359 -14.500
  257   1HB   GLU  30          2HB       GLU  30 -15.476  -5.721 -12.212
  258   2HB   GLU  30          1HB       GLU  30 -16.632  -7.010 -12.538
  259   1HG   GLU  30          2HG       GLU  30 -15.775  -6.541 -15.056
  260   2HG   GLU  30          1HG       GLU  30 -14.325  -6.082 -14.163
  261    H    HIS  31           H        HIS  31 -17.795  -3.504 -11.620
  262    HA   HIS  31           HA       HIS  31 -20.445  -4.837 -11.183
  263   1HB   HIS  31          2HB       HIS  31 -18.631  -3.710  -9.023
  264   2HB   HIS  31          1HB       HIS  31 -20.118  -4.616  -8.787
  265    HD1  HIS  31           1HD      HIS  31 -16.504  -5.033  -9.623
  266    HD2  HIS  31           2HD      HIS  31 -19.886  -7.441  -9.254
  267    HE1  HIS  31           1HE      HIS  31 -15.677  -7.424  -9.585
  268    HA   PRO  32           HA       PRO  32 -21.107  -0.375 -11.893
  269   1HB   PRO  32          2HB       PRO  32 -23.562  -0.647 -13.071
  270   2HB   PRO  32          1HB       PRO  32 -22.037  -0.808 -13.958
  271   1HG   PRO  32          2HG       PRO  32 -23.890  -2.908 -12.993
  272   2HG   PRO  32          1HG       PRO  32 -22.879  -2.868 -14.446
  273   1HD   PRO  32          2HD       PRO  32 -22.285  -4.275 -12.150
  274   2HD   PRO  32          1HD       PRO  32 -21.101  -3.784 -13.378
  275    H    GLY  33           H        GLY  33 -23.448  -2.766 -10.699
  276   1HA   GLY  33          2HA       GLY  33 -25.056  -0.846  -9.247
  277   2HA   GLY  33          1HA       GLY  33 -25.107  -2.596  -9.048
  278    H    LEU  34           H        LEU  34 -22.089  -2.535  -8.583
  279    HA   LEU  34           HA       LEU  34 -21.978  -2.725  -5.791
  280   1HB   LEU  34          2HB       LEU  34 -20.203  -2.668  -8.056
  281   2HB   LEU  34          1HB       LEU  34 -19.474  -1.741  -6.755
  282    HG   LEU  34           HG       LEU  34 -18.876  -4.184  -6.734
  283   1HD1  LEU  34          1HD1      LEU  34 -18.547  -3.112  -4.685
  284   2HD1  LEU  34          2HD1      LEU  34 -19.597  -4.461  -4.250
  285   3HD1  LEU  34          3HD1      LEU  34 -20.272  -2.842  -4.436
  286   1HD2  LEU  34          1HD2      LEU  34 -21.472  -4.675  -7.313
  287   2HD2  LEU  34          2HD2      LEU  34 -21.532  -4.846  -5.559
  288   3HD2  LEU  34          3HD2      LEU  34 -20.438  -5.854  -6.506
  289    H    SER  35           H        SER  35 -23.189  -0.882  -4.921
  290    HA   SER  35           HA       SER  35 -22.252   1.860  -5.288
  291   1HB   SER  35          2HB       SER  35 -24.022   0.639  -3.145
  292   2HB   SER  35          1HB       SER  35 -23.967   2.335  -3.617
  293    HG   SER  35           HG       SER  35 -25.393   0.344  -4.675
  294    H    ILE  36           H        ILE  36 -21.628   3.144  -3.206
  295    HA   ILE  36           HA       ILE  36 -19.159   2.214  -2.158
  296    HB   ILE  36           HB       ILE  36 -21.176   4.199  -1.050
  297   1HG1  ILE  36          2HG1      ILE  36 -20.429   4.710  -3.349
  298   2HG1  ILE  36          1HG1      ILE  36 -19.765   5.873  -2.207
  299   1HG2  ILE  36          1HG2      ILE  36 -19.072   5.207  -0.006
  300   2HG2  ILE  36          2HG2      ILE  36 -18.267   3.685  -0.388
  301   3HG2  ILE  36          3HG2      ILE  36 -19.641   3.702   0.717
  302   1HD1  ILE  36          1HD1      ILE  36 -17.665   4.456  -2.130
  303   2HD1  ILE  36          2HD1      ILE  36 -17.974   5.231  -3.684
  304   3HD1  ILE  36          3HD1      ILE  36 -18.333   3.517  -3.465
  305    H    GLY  37           H        GLY  37 -22.455   1.652  -1.067
  306   1HA   GLY  37          2HA       GLY  37 -21.931   0.815   1.605
  307   2HA   GLY  37          1HA       GLY  37 -23.304   0.277   0.635
  308    H    ASP  38           H        ASP  38 -22.539  -1.314  -1.215
  309    HA   ASP  38           HA       ASP  38 -21.380  -3.633   0.103
  310   1HB   ASP  38          2HB       ASP  38 -23.190  -3.446  -1.740
  311   2HB   ASP  38          1HB       ASP  38 -21.841  -3.257  -2.860
  312    H    THR  39           H        THR  39 -20.182  -1.195  -2.173
  313    HA   THR  39           HA       THR  39 -17.765  -2.567  -2.945
  314    HB   THR  39           HB       THR  39 -18.421   0.393  -2.773
  315    HG1  THR  39           1HG      THR  39 -19.333   0.135  -4.693
  316   1HG2  THR  39          1HG2      THR  39 -16.696   0.587  -4.562
  317   2HG2  THR  39          2HG2      THR  39 -16.323  -1.124  -4.352
  318   3HG2  THR  39          3HG2      THR  39 -16.021   0.011  -3.036
  319    H    ALA  40           H        ALA  40 -18.598  -0.469  -0.230
  320    HA   ALA  40           HA       ALA  40 -15.892  -0.098   0.738
  321   1HB   ALA  40          1HB       ALA  40 -17.115   0.677   2.777
  322   2HB   ALA  40          2HB       ALA  40 -18.614   0.062   2.078
  323   3HB   ALA  40          3HB       ALA  40 -17.758   1.393   1.299
  324    H    LYS  41           H        LYS  41 -18.394  -2.537   1.258
  325    HA   LYS  41           HA       LYS  41 -16.680  -3.888   3.275
  326   1HB   LYS  41          2HB       LYS  41 -18.718  -5.106   3.841
  327   2HB   LYS  41          1HB       LYS  41 -19.054  -3.379   3.791
  328   1HG   LYS  41          2HG       LYS  41 -19.853  -3.714   1.408
  329   2HG   LYS  41          1HG       LYS  41 -19.724  -5.447   1.684
  330   1HD   LYS  41          2HD       LYS  41 -22.012  -4.782   2.124
  331   2HD   LYS  41          1HD       LYS  41 -21.247  -5.179   3.662
  332   1HE   LYS  41          2HE       LYS  41 -20.708  -2.433   3.279
  333   2HE   LYS  41          1HE       LYS  41 -22.407  -2.653   2.816
  334   1HZ   LYS  41          1HZ       LYS  41 -21.152  -3.695   5.302
  335   2HZ   LYS  41          2HZ       LYS  41 -22.778  -3.892   4.850
  336   3HZ   LYS  41          3HZ       LYS  41 -22.176  -2.346   5.215
  337    H    LYS  42           H        LYS  42 -17.314  -4.083  -0.088
  338    HA   LYS  42           HA       LYS  42 -17.020  -7.011  -0.263
  339   1HB   LYS  42          2HB       LYS  42 -18.507  -5.686  -1.746
  340   2HB   LYS  42          1HB       LYS  42 -17.114  -4.785  -2.334
  341   1HG   LYS  42          2HG       LYS  42 -17.741  -6.557  -3.915
  342   2HG   LYS  42          1HG       LYS  42 -16.153  -6.883  -3.233
  343   1HD   LYS  42          2HD       LYS  42 -16.873  -8.875  -2.458
  344   2HD   LYS  42          1HD       LYS  42 -18.125  -8.071  -1.513
  345   1HE   LYS  42          2HE       LYS  42 -19.591  -9.163  -2.874
  346   2HE   LYS  42          1HE       LYS  42 -19.142  -7.961  -4.099
  347   1HZ   LYS  42          1HZ       LYS  42 -18.736 -10.159  -4.965
  348   2HZ   LYS  42          2HZ       LYS  42 -17.798 -10.567  -3.608
  349   3HZ   LYS  42          3HZ       LYS  42 -17.249  -9.387  -4.700
  350    H    LEU  43           H        LEU  43 -14.870  -4.591   0.429
  351    HA   LEU  43           HA       LEU  43 -12.676  -5.649  -1.296
  352   1HB   LEU  43          2HB       LEU  43 -13.265  -3.143   0.242
  353   2HB   LEU  43          1HB       LEU  43 -11.578  -3.569  -0.047
  354    HG   LEU  43           HG       LEU  43 -13.586  -3.576  -2.295
  355   1HD1  LEU  43          1HD1      LEU  43 -13.641  -1.342  -1.202
  356   2HD1  LEU  43          2HD1      LEU  43 -12.928  -1.273  -2.813
  357   3HD1  LEU  43          3HD1      LEU  43 -11.890  -1.229  -1.388
  358   1HD2  LEU  43          1HD2      LEU  43 -10.574  -3.275  -2.095
  359   2HD2  LEU  43          2HD2      LEU  43 -11.485  -3.123  -3.598
  360   3HD2  LEU  43          3HD2      LEU  43 -11.455  -4.662  -2.736
  361    H    GLY  44           H        GLY  44 -13.722  -5.232   2.056
  362   1HA   GLY  44          2HA       GLY  44 -11.279  -6.142   3.289
  363   2HA   GLY  44          1HA       GLY  44 -12.859  -6.080   4.071
  364    H    GLU  45           H        GLU  45 -14.121  -7.758   1.994
  365    HA   GLU  45           HA       GLU  45 -13.867 -10.331   3.162
  366   1HB   GLU  45          2HB       GLU  45 -15.640  -9.276   1.581
  367   2HB   GLU  45          1HB       GLU  45 -14.598  -9.838   0.273
  368   1HG   GLU  45          2HG       GLU  45 -16.048 -11.654   0.554
  369   2HG   GLU  45          1HG       GLU  45 -14.671 -12.125   1.550
  370    H    MET  46           H        MET  46 -12.351  -9.038   0.192
  371    HA   MET  46           HA       MET  46 -10.815 -11.473  -0.316
  372   1HB   MET  46          2HB       MET  46 -10.606  -8.630  -1.370
  373   2HB   MET  46          1HB       MET  46  -9.809 -10.034  -2.079
  374   1HG   MET  46          2HG       MET  46 -11.962 -11.072  -2.557
  375   2HG   MET  46          1HG       MET  46 -12.809  -9.758  -1.739
  376   1HE   MET  46          1HE       MET  46 -13.832 -10.450  -4.355
  377   2HE   MET  46          2HE       MET  46 -12.338 -11.143  -4.979
  378   3HE   MET  46          3HE       MET  46 -13.098  -9.799  -5.827
  379    H    TRP  47           H        TRP  47 -10.002  -8.168   0.792
  380    HA   TRP  47           HA       TRP  47  -7.236  -8.505   1.240
  381   1HB   TRP  47          2HB       TRP  47  -8.566  -6.390   1.336
  382   2HB   TRP  47          1HB       TRP  47  -9.225  -6.909   2.888
  383    HD1  TRP  47           HD       TRP  47  -7.800  -6.509   4.991
  384    HE1  TRP  47           1HE      TRP  47  -5.450  -5.545   5.431
  385    HE3  TRP  47           3HE      TRP  47  -6.052  -6.227   0.201
  386    HZ2  TRP  47           2HZ      TRP  47  -3.134  -4.761   3.946
  387    HZ3  TRP  47           3HZ      TRP  47  -3.772  -5.370  -0.257
  388    HH2  TRP  47           HH       TRP  47  -2.312  -4.637   1.608
  389    H    SER  48           H        SER  48  -9.926  -9.803   3.083
  390    HA   SER  48           HA       SER  48  -8.268 -10.377   5.458
  391   1HB   SER  48          2HB       SER  48 -10.437 -11.351   6.237
  392   2HB   SER  48          1HB       SER  48 -10.612  -9.692   5.673
  393    HG   SER  48           HG       SER  48 -11.817 -10.380   4.090
  394    H    GLU  49           H        GLU  49  -9.688 -12.063   2.679
  395    HA   GLU  49           HA       GLU  49  -9.165 -14.757   3.494
  396   1HB   GLU  49          2HB       GLU  49  -9.813 -13.230   1.049
  397   2HB   GLU  49          1HB       GLU  49  -8.944 -14.735   0.746
  398   1HG   GLU  49          2HG       GLU  49 -11.331 -15.202   0.737
  399   2HG   GLU  49          1HG       GLU  49 -10.618 -15.929   2.179
  400    H    GLN  50           H        GLN  50  -7.155 -12.310   1.908
  401    HA   GLN  50           HA       GLN  50  -4.951 -13.987   1.160
  402   1HB   GLN  50          2HB       GLN  50  -5.228 -11.060   1.900
  403   2HB   GLN  50          1HB       GLN  50  -3.733 -11.747   1.266
  404   1HG   GLN  50          2HG       GLN  50  -6.391 -12.026  -0.153
  405   2HG   GLN  50          1HG       GLN  50  -5.273 -10.699  -0.472
  406   1HE2  GLN  50          1HE2      GLN  50  -6.150 -13.374  -1.970
  407   2HE2  GLN  50          2HE2      GLN  50  -4.661 -13.966  -2.532
  408    H    SER  51           H        SER  51  -2.868 -14.188   2.273
  409    HA   SER  51           HA       SER  51  -2.845 -13.576   5.186
  410   1HB   SER  51          2HB       SER  51  -2.472 -16.332   3.971
  411   2HB   SER  51          1HB       SER  51  -2.321 -15.939   5.681
  412    HG   SER  51           HG       SER  51  -4.474 -15.494   5.765
  413    H    ALA  52           H        ALA  52  -1.009 -12.285   5.077
  414    HA   ALA  52           HA       ALA  52   1.258 -11.697   4.781
  415   1HB   ALA  52          1HB       ALA  52   2.751 -13.443   5.429
  416   2HB   ALA  52          2HB       ALA  52   1.688 -14.692   4.780
  417   3HB   ALA  52          3HB       ALA  52   1.229 -13.814   6.239
  418    H    LYS  53           H        LYS  53  -0.025 -11.586   2.359
  419    HA   LYS  53           HA       LYS  53   2.114 -12.434   0.492
  420   1HB   LYS  53          2HB       LYS  53  -0.054 -14.057   0.893
  421   2HB   LYS  53          1HB       LYS  53  -0.635 -13.052  -0.432
  422   1HG   LYS  53          2HG       LYS  53   0.448 -14.750  -1.598
  423   2HG   LYS  53          1HG       LYS  53   1.733 -13.548  -1.467
  424   1HD   LYS  53          2HD       LYS  53   2.777 -15.547  -0.776
  425   2HD   LYS  53          1HD       LYS  53   2.351 -14.756   0.742
  426   1HE   LYS  53          2HE       LYS  53   0.360 -16.144   0.972
  427   2HE   LYS  53          1HE       LYS  53   0.644 -16.868  -0.624
  428   1HZ   LYS  53          1HZ       LYS  53   2.756 -17.700   0.127
  429   2HZ   LYS  53          2HZ       LYS  53   1.553 -18.228   1.203
  430   3HZ   LYS  53          3HZ       LYS  53   2.577 -16.941   1.633
  431    H    ASP  54           H        ASP  54  -1.271 -11.299   0.100
  432    HA   ASP  54           HA       ASP  54  -0.628  -9.371  -1.916
  433   1HB   ASP  54          2HB       ASP  54  -2.857 -10.466  -1.331
  434   2HB   ASP  54          1HB       ASP  54  -2.969  -9.322   0.007
  435    H    LYS  55           H        LYS  55  -0.917  -9.094   1.629
  436    HA   LYS  55           HA       LYS  55  -0.421  -6.179   1.510
  437   1HB   LYS  55          2HB       LYS  55  -0.959  -6.325   3.890
  438   2HB   LYS  55          1HB       LYS  55  -2.130  -7.241   2.950
  439   1HG   LYS  55          2HG       LYS  55  -1.696  -8.970   4.341
  440   2HG   LYS  55          1HG       LYS  55  -0.168  -9.128   3.477
  441   1HD   LYS  55          2HD       LYS  55   0.564  -7.196   5.169
  442   2HD   LYS  55          1HD       LYS  55  -0.720  -7.909   6.148
  443   1HE   LYS  55          2HE       LYS  55   0.343 -10.109   6.021
  444   2HE   LYS  55          1HE       LYS  55   1.594  -9.466   4.937
  445   1HZ   LYS  55          1HZ       LYS  55   2.275  -7.922   6.620
  446   2HZ   LYS  55          2HZ       LYS  55   2.282  -9.481   7.298
  447   3HZ   LYS  55          3HZ       LYS  55   1.017  -8.403   7.651
  448    H    GLN  56           H        GLN  56   1.665  -8.438   0.944
  449    HA   GLN  56           HA       GLN  56   3.662  -7.880   3.063
  450   1HB   GLN  56          2HB       GLN  56   3.149  -9.897   0.989
  451   2HB   GLN  56          1HB       GLN  56   4.849  -9.452   1.112
  452   1HG   GLN  56          2HG       GLN  56   4.451  -9.722   3.692
  453   2HG   GLN  56          1HG       GLN  56   3.062 -10.687   3.188
  454   1HE2  GLN  56          1HE2      GLN  56   6.511 -10.707   3.559
  455   2HE2  GLN  56          2HE2      GLN  56   6.786 -12.240   2.880
  456    HA   PRO  57           HA       PRO  57   5.859  -5.922  -0.630
  457   1HB   PRO  57          2HB       PRO  57   4.712  -5.872  -3.095
  458   2HB   PRO  57          1HB       PRO  57   5.674  -7.245  -2.513
  459   1HG   PRO  57          2HG       PRO  57   2.764  -6.973  -2.802
  460   2HG   PRO  57          1HG       PRO  57   3.773  -8.419  -2.894
  461   1HD   PRO  57          2HD       PRO  57   2.188  -7.605  -0.726
  462   2HD   PRO  57          1HD       PRO  57   3.420  -8.884  -0.714
  463    H    TYR  58           H        TYR  58   2.362  -5.522  -0.644
  464    HA   TYR  58           HA       TYR  58   2.454  -2.724  -1.518
  465   1HB   TYR  58          2HB       TYR  58   0.599  -4.853  -1.379
  466   2HB   TYR  58          1HB       TYR  58  -0.035  -3.609  -0.306
  467    HD1  TYR  58           1HD      TYR  58   1.272  -4.181  -3.755
  468    HD2  TYR  58           2HD      TYR  58  -1.060  -1.660  -1.175
  469    HE1  TYR  58           1HE      TYR  58   0.505  -2.879  -5.721
  470    HE2  TYR  58           2HE      TYR  58  -1.827  -0.358  -3.141
  471    HH   TYR  58           HH       TYR  58  -0.524  -0.083  -5.785
  472    H    GLU  59           H        GLU  59   3.261  -4.106   1.418
  473    HA   GLU  59           HA       GLU  59   1.946  -2.019   3.080
  474   1HB   GLU  59          2HB       GLU  59   2.827  -3.372   4.946
  475   2HB   GLU  59          1HB       GLU  59   1.940  -4.375   3.804
  476   1HG   GLU  59          2HG       GLU  59   3.763  -5.697   3.669
  477   2HG   GLU  59          1HG       GLU  59   4.586  -4.374   2.849
  478    H    GLN  60           H        GLN  60   5.070  -2.815   1.705
  479    HA   GLN  60           HA       GLN  60   6.624  -1.079   3.454
  480   1HB   GLN  60          2HB       GLN  60   8.393  -1.535   1.760
  481   2HB   GLN  60          1HB       GLN  60   7.592  -3.010   2.296
  482   1HG   GLN  60          2HG       GLN  60   6.408  -3.248   0.295
  483   2HG   GLN  60          1HG       GLN  60   6.585  -1.548  -0.134
  484   1HE2  GLN  60          1HE2      GLN  60   8.108  -4.699  -0.309
  485   2HE2  GLN  60          2HE2      GLN  60   9.467  -4.208  -1.200
  486    H    LYS  61           H        LYS  61   4.682  -0.617   0.598
  487    HA   LYS  61           HA       LYS  61   5.874   1.719  -0.522
  488   1HB   LYS  61          2HB       LYS  61   4.098   0.348  -1.563
  489   2HB   LYS  61          1HB       LYS  61   2.966   0.862  -0.314
  490   1HG   LYS  61          2HG       LYS  61   2.885   3.069  -1.115
  491   2HG   LYS  61          1HG       LYS  61   4.404   2.903  -1.997
  492   1HD   LYS  61          2HD       LYS  61   3.219   1.166  -3.445
  493   2HD   LYS  61          1HD       LYS  61   1.716   1.708  -2.698
  494   1HE   LYS  61          2HE       LYS  61   1.744   3.155  -4.507
  495   2HE   LYS  61          1HE       LYS  61   2.745   4.113  -3.397
  496   1HZ   LYS  61          1HZ       LYS  61   3.796   2.068  -5.281
  497   2HZ   LYS  61          2HZ       LYS  61   4.714   3.080  -4.271
  498   3HZ   LYS  61          3HZ       LYS  61   3.832   3.740  -5.565
  499    H    ALA  62           H        ALA  62   3.390   1.379   2.035
  500    HA   ALA  62           HA       ALA  62   3.099   4.228   2.484
  501   1HB   ALA  62          1HB       ALA  62   1.312   2.827   3.148
  502   2HB   ALA  62          2HB       ALA  62   2.079   3.255   4.677
  503   3HB   ALA  62          3HB       ALA  62   2.391   1.682   3.944
  504    H    ALA  63           H        ALA  63   5.618   2.036   3.273
  505    HA   ALA  63           HA       ALA  63   6.445   3.410   5.748
  506   1HB   ALA  63          1HB       ALA  63   7.752   1.277   4.026
  507   2HB   ALA  63          2HB       ALA  63   6.683   0.965   5.394
  508   3HB   ALA  63          3HB       ALA  63   8.251   1.729   5.656
  509    H    LYS  64           H        LYS  64   6.553   4.339   2.584
  510    HA   LYS  64           HA       LYS  64   9.330   5.433   2.696
  511   1HB   LYS  64          2HB       LYS  64   7.279   4.885   0.543
  512   2HB   LYS  64          1HB       LYS  64   8.688   5.893   0.230
  513   1HG   LYS  64          2HG       LYS  64   8.919   3.122   1.412
  514   2HG   LYS  64          1HG       LYS  64   8.934   3.406  -0.329
  515   1HD   LYS  64          2HD       LYS  64  10.760   5.062   1.358
  516   2HD   LYS  64          1HD       LYS  64  11.195   3.373   1.093
  517   1HE   LYS  64          2HE       LYS  64  10.868   3.778  -1.395
  518   2HE   LYS  64          1HE       LYS  64  10.742   5.508  -1.015
  519   1HZ   LYS  64          1HZ       LYS  64  13.034   4.957  -1.458
  520   2HZ   LYS  64          2HZ       LYS  64  12.999   3.707  -0.309
  521   3HZ   LYS  64          3HZ       LYS  64  12.861   5.325   0.188
  522    H    LEU  65           H        LEU  65   5.919   6.247   2.431
  523    HA   LEU  65           HA       LEU  65   6.345   9.117   2.054
  524   1HB   LEU  65          2HB       LEU  65   4.084   7.191   2.406
  525   2HB   LEU  65          1HB       LEU  65   3.760   8.899   2.693
  526    HG   LEU  65           HG       LEU  65   5.024   9.231   0.410
  527   1HD1  LEU  65          1HD1      LEU  65   4.378   7.215  -1.083
  528   2HD1  LEU  65          2HD1      LEU  65   4.265   6.310   0.427
  529   3HD1  LEU  65          3HD1      LEU  65   5.796   7.043  -0.049
  530   1HD2  LEU  65          1HD2      LEU  65   2.663   9.780   0.765
  531   2HD2  LEU  65          2HD2      LEU  65   2.223   8.079   0.617
  532   3HD2  LEU  65          3HD2      LEU  65   2.850   8.953  -0.781
  533    H    LYS  66           H        LYS  66   6.869   7.216   4.742
  534    HA   LYS  66           HA       LYS  66   5.674   9.090   6.709
  535   1HB   LYS  66          2HB       LYS  66   5.601   6.526   6.809
  536   2HB   LYS  66          1HB       LYS  66   7.325   6.596   7.183
  537   1HG   LYS  66          2HG       LYS  66   6.949   7.779   9.207
  538   2HG   LYS  66          1HG       LYS  66   5.294   8.186   8.755
  539   1HD   LYS  66          2HD       LYS  66   5.054   6.411  10.304
  540   2HD   LYS  66          1HD       LYS  66   4.871   5.641   8.729
  541   1HE   LYS  66          2HE       LYS  66   7.192   4.881   8.773
  542   2HE   LYS  66          1HE       LYS  66   7.476   5.754  10.292
  543   1HZ   LYS  66          1HZ       LYS  66   6.915   3.423  10.700
  544   2HZ   LYS  66          2HZ       LYS  66   5.437   3.628   9.886
  545   3HZ   LYS  66          3HZ       LYS  66   5.735   4.459  11.338
  546    H    GLU  67           H        GLU  67   8.755   8.195   5.278
  547    HA   GLU  67           HA       GLU  67  10.364   9.599   7.305
  548   1HB   GLU  67          2HB       GLU  67  10.766   7.995   4.810
  549   2HB   GLU  67          1HB       GLU  67  12.079   9.054   5.328
  550   1HG   GLU  67          2HG       GLU  67  10.752   7.211   7.304
  551   2HG   GLU  67          1HG       GLU  67  12.017   6.605   6.233
  552    H    LYS  68           H        LYS  68   8.666  10.446   4.414
  553    HA   LYS  68           HA       LYS  68  10.338  12.882   3.990
  554   1HB   LYS  68          2HB       LYS  68   8.295  11.329   2.394
  555   2HB   LYS  68          1HB       LYS  68   8.784  12.955   1.912
  556   1HG   LYS  68          2HG       LYS  68  11.171  12.180   1.945
  557   2HG   LYS  68          1HG       LYS  68  10.588  10.543   2.245
  558   1HD   LYS  68          2HD       LYS  68  10.852  10.619  -0.100
  559   2HD   LYS  68          1HD       LYS  68   9.125  10.895   0.136
  560   1HE   LYS  68          2HE       LYS  68   9.696  12.621  -1.359
  561   2HE   LYS  68          1HE       LYS  68   9.845  13.441   0.209
  562   1HZ   LYS  68          1HZ       LYS  68  12.182  12.846   0.267
  563   2HZ   LYS  68          2HZ       LYS  68  11.846  13.746  -1.134
  564   3HZ   LYS  68          3HZ       LYS  68  12.051  12.062  -1.231
  565    H    TYR  69           H        TYR  69   7.153  11.754   4.961
  566    HA   TYR  69           HA       TYR  69   5.830  14.345   4.866
  567   1HB   TYR  69          2HB       TYR  69   4.693  12.140   4.725
  568   2HB   TYR  69          1HB       TYR  69   5.213  11.774   6.369
  569    HD1  TYR  69           1HD      TYR  69   2.705  13.342   4.335
  570    HD2  TYR  69           2HD      TYR  69   4.471  13.379   8.248
  571    HE1  TYR  69           1HE      TYR  69   0.710  14.516   5.224
  572    HE2  TYR  69           2HE      TYR  69   2.478  14.553   9.138
  573    HH   TYR  69           HH       TYR  69   0.655  15.931   8.355
  574    H    GLU  70           H        GLU  70   6.999  12.294   7.558
  575    HA   GLU  70           HA       GLU  70   6.566  14.278   9.608
  576   1HB   GLU  70          2HB       GLU  70   8.172  11.732   9.356
  577   2HB   GLU  70          1HB       GLU  70   8.148  12.663  10.854
  578   1HG   GLU  70          2HG       GLU  70   5.642  12.536  10.825
  579   2HG   GLU  70          1HG       GLU  70   5.758  11.461   9.432
  580    H    LYS  71           H        LYS  71   8.994  14.106   7.185
  581    HA   LYS  71           HA       LYS  71  10.963  15.598   8.864
  582   1HB   LYS  71          2HB       LYS  71  11.013  13.952   6.350
  583   2HB   LYS  71          1HB       LYS  71  12.307  15.116   6.643
  584   1HG   LYS  71          2HG       LYS  71  12.527  14.050   8.967
  585   2HG   LYS  71          1HG       LYS  71  11.515  12.747   8.343
  586   1HD   LYS  71          2HD       LYS  71  13.143  12.457   6.460
  587   2HD   LYS  71          1HD       LYS  71  14.188  13.650   7.234
  588   1HE   LYS  71          2HE       LYS  71  13.218  11.277   8.819
  589   2HE   LYS  71          1HE       LYS  71  14.616  11.115   7.737
  590   1HZ   LYS  71          1HZ       LYS  71  15.300  11.852   9.948
  591   2HZ   LYS  71          2HZ       LYS  71  14.283  13.207   9.824
  592   3HZ   LYS  71          3HZ       LYS  71  15.618  13.044   8.785
  593    H    ASP  72           H        ASP  72   8.937  15.878   5.972
  594    HA   ASP  72           HA       ASP  72  10.045  18.553   5.336
  595   1HB   ASP  72          2HB       ASP  72   9.522  16.714   3.663
  596   2HB   ASP  72          1HB       ASP  72   7.815  16.992   4.008
  597    H    ILE  73           H        ILE  73   7.145  17.092   6.724
  598    HA   ILE  73           HA       ILE  73   5.446  19.412   6.491
  599    HB   ILE  73           HB       ILE  73   4.874  16.935   6.880
  600   1HG1  ILE  73          2HG1      ILE  73   2.960  17.690   8.538
  601   2HG1  ILE  73          1HG1      ILE  73   3.627  19.295   8.235
  602   1HG2  ILE  73          1HG2      ILE  73   6.418  16.801   8.931
  603   2HG2  ILE  73          2HG2      ILE  73   4.818  16.078   9.095
  604   3HG2  ILE  73          3HG2      ILE  73   5.147  17.660   9.801
  605   1HD1  ILE  73          1HD1      ILE  73   3.426  18.869   5.781
  606   2HD1  ILE  73          2HD1      ILE  73   1.868  18.847   6.606
  607   3HD1  ILE  73          3HD1      ILE  73   2.642  17.331   6.144
  608    H    ALA  74           H        ALA  74   7.998  18.573   8.715
  609    HA   ALA  74           HA       ALA  74   7.210  20.165  10.975
  610   1HB   ALA  74          1HB       ALA  74   9.553  19.884  11.610
  611   2HB   ALA  74          2HB       ALA  74   9.986  19.486   9.947
  612   3HB   ALA  74          3HB       ALA  74   8.978  18.383  10.884
  613    H    ALA  75           H        ALA  75   9.407  20.889   8.242
  614    HA   ALA  75           HA       ALA  75   9.646  23.711   9.026
  615   1HB   ALA  75          1HB       ALA  75  10.572  22.069   6.649
  616   2HB   ALA  75          2HB       ALA  75  11.528  22.503   8.067
  617   3HB   ALA  75          3HB       ALA  75  11.030  23.750   6.923
  618    H    TYR  76           H        TYR  76   7.568  21.815   6.971
  619    HA   TYR  76           HA       TYR  76   6.811  23.847   5.074
  620   1HB   TYR  76          2HB       TYR  76   6.471  21.357   4.909
  621   2HB   TYR  76          1HB       TYR  76   5.212  21.495   6.137
  622    HD1  TYR  76           1HD      TYR  76   3.036  22.336   5.602
  623    HD2  TYR  76           2HD      TYR  76   6.209  22.547   2.714
  624    HE1  TYR  76           1HE      TYR  76   1.400  22.979   3.852
  625    HE2  TYR  76           2HE      TYR  76   4.573  23.190   0.964
  626    HH   TYR  76           HH       TYR  76   2.147  24.393   1.071
  627    H    ARG  77           H        ARG  77   5.824  23.156   8.379
  628    HA   ARG  77           HA       ARG  77   3.441  24.887   8.222
  629   1HB   ARG  77          2HB       ARG  77   4.816  23.161  10.273
  630   2HB   ARG  77          1HB       ARG  77   3.556  24.289  10.775
  631   1HG   ARG  77          2HG       ARG  77   1.896  23.188   9.552
  632   2HG   ARG  77          1HG       ARG  77   3.060  22.443   8.457
  633   1HD   ARG  77          2HD       ARG  77   3.423  20.671   9.857
  634   2HD   ARG  77          1HD       ARG  77   3.373  21.690  11.310
  635    HE   ARG  77           HE       ARG  77   0.851  21.108   9.818
  636   1HH1  ARG  77          1HH2      ARG  77   1.739  22.479  12.617
  637   2HH1  ARG  77          2HH2      ARG  77   0.930  21.379  13.683
  638   1HH2  ARG  77          1HH1      ARG  77   0.258  19.052  11.201
  639   2HH2  ARG  77          2HH1      ARG  77   0.092  19.439  12.882
  640    H    ALA  78           H        ALA  78   5.913  24.948  10.792
  641    HA   ALA  78           HA       ALA  78   6.949  27.580  10.149
  642   1HB   ALA  78          1HB       ALA  78   4.836  28.439  10.746
  643   2HB   ALA  78          2HB       ALA  78   5.743  28.574  12.252
  644   3HB   ALA  78          3HB       ALA  78   4.610  27.242  12.022
  645    H    LYS  79           H        LYS  79   8.239  25.213  10.866
  646    HA   LYS  79           HA       LYS  79   8.881  25.322  13.751
  647   1HB   LYS  79          2HB       LYS  79   9.551  23.565  11.410
  648   2HB   LYS  79          1HB       LYS  79  10.394  23.378  12.944
  649   1HG   LYS  79          2HG       LYS  79   7.379  23.312  12.631
  650   2HG   LYS  79          1HG       LYS  79   8.399  21.877  12.730
  651   1HD   LYS  79          2HD       LYS  79   9.300  23.109  14.916
  652   2HD   LYS  79          1HD       LYS  79   7.705  23.859  14.856
  653   1HE   LYS  79          2HE       LYS  79   7.941  20.873  14.540
  654   2HE   LYS  79          1HE       LYS  79   7.974  21.597  16.160
  655   1HZ   LYS  79          1HZ       LYS  79   5.939  22.759  15.688
  656   2HZ   LYS  79          2HZ       LYS  79   5.697  21.104  15.389
  657   3HZ   LYS  79          3HZ       LYS  79   5.919  22.180  14.093
  Start of MODEL    3
    1   1H    MET   1          1HT       MET   1 -13.051  13.080  -2.897
    2   2H    MET   1          2HT       MET   1 -13.659  12.591  -1.388
    3   3H    MET   1          3HT       MET   1 -14.156  11.797  -2.805
    4    HA   MET   1           HA       MET   1 -12.538  10.444  -1.609
    5   1HB   MET   1          2HB       MET   1 -12.726  11.087  -4.263
    6   2HB   MET   1          1HB       MET   1 -11.022  11.429  -3.957
    7   1HG   MET   1          2HG       MET   1 -10.987   9.152  -4.521
    8   2HG   MET   1          1HG       MET   1 -11.027   9.107  -2.759
    9   1HE   MET   1          1HE       MET   1 -13.157   6.182  -4.490
   10   2HE   MET   1          2HE       MET   1 -11.511   6.782  -4.306
   11   3HE   MET   1          3HE       MET   1 -12.472   7.281  -5.694
   12    H    LYS   2           H        LYS   2  -9.947  10.325  -1.599
   13    HA   LYS   2           HA       LYS   2  -9.037  12.623   0.028
   14   1HB   LYS   2          2HB       LYS   2  -8.243   9.790  -0.515
   15   2HB   LYS   2          1HB       LYS   2  -6.998  10.892   0.076
   16   1HG   LYS   2          2HG       LYS   2  -7.970   9.937   2.031
   17   2HG   LYS   2          1HG       LYS   2  -8.664  11.554   1.906
   18   1HD   LYS   2          2HD       LYS   2 -10.740  10.754   1.196
   19   2HD   LYS   2          1HD       LYS   2 -10.066   9.234   0.609
   20   1HE   LYS   2          2HE       LYS   2  -9.451   9.150   3.306
   21   2HE   LYS   2          1HE       LYS   2 -11.043   9.932   3.285
   22   1HZ   LYS   2          1HZ       LYS   2 -10.323   7.433   1.848
   23   2HZ   LYS   2          2HZ       LYS   2 -11.839   8.199   1.796
   24   3HZ   LYS   2          3HZ       LYS   2 -11.274   7.522   3.250
   25    H    LYS   3           H        LYS   3  -7.905  14.263  -0.924
   26    HA   LYS   3           HA       LYS   3  -5.757  13.802  -2.799
   27   1HB   LYS   3          2HB       LYS   3  -7.981  13.507  -4.086
   28   2HB   LYS   3          1HB       LYS   3  -8.167  15.252  -3.900
   29   1HG   LYS   3          2HG       LYS   3  -5.842  15.487  -4.910
   30   2HG   LYS   3          1HG       LYS   3  -5.941  13.775  -5.322
   31   1HD   LYS   3          2HD       LYS   3  -6.736  14.836  -7.267
   32   2HD   LYS   3          1HD       LYS   3  -8.217  14.397  -6.414
   33   1HE   LYS   3          2HE       LYS   3  -8.635  16.608  -5.733
   34   2HE   LYS   3          1HE       LYS   3  -6.940  17.091  -5.942
   35   1HZ   LYS   3          1HZ       LYS   3  -8.317  17.852  -7.798
   36   2HZ   LYS   3          2HZ       LYS   3  -8.769  16.248  -8.129
   37   3HZ   LYS   3          3HZ       LYS   3  -7.151  16.734  -8.313
   38    H    LYS   4           H        LYS   4  -4.614  15.811  -3.274
   39    HA   LYS   4           HA       LYS   4  -5.579  18.374  -2.353
   40   1HB   LYS   4          2HB       LYS   4  -4.475  16.562  -0.449
   41   2HB   LYS   4          1HB       LYS   4  -3.279  17.831  -0.692
   42   1HG   LYS   4          2HG       LYS   4  -5.279  19.468  -0.442
   43   2HG   LYS   4          1HG       LYS   4  -6.126  18.090   0.262
   44   1HD   LYS   4          2HD       LYS   4  -3.393  18.945   1.226
   45   2HD   LYS   4          1HD       LYS   4  -4.874  19.625   1.899
   46   1HE   LYS   4          2HE       LYS   4  -4.550  16.632   1.710
   47   2HE   LYS   4          1HE       LYS   4  -3.851  17.528   3.073
   48   1HZ   LYS   4          1HZ       LYS   4  -6.030  18.604   3.380
   49   2HZ   LYS   4          2HZ       LYS   4  -6.104  16.922   3.609
   50   3HZ   LYS   4          3HZ       LYS   4  -6.681  17.610   2.168
   51    H    ASP   5           H        ASP   5  -3.006  19.481  -1.768
   52    HA   ASP   5           HA       ASP   5  -1.991  20.038  -4.375
   53   1HB   ASP   5          2HB       ASP   5  -1.176  20.447  -1.533
   54   2HB   ASP   5          1HB       ASP   5   0.049  20.729  -2.771
   55    HA   PRO   6           HA       PRO   6   0.552  16.455  -5.014
   56   1HB   PRO   6          2HB       PRO   6   2.219  17.414  -6.956
   57   2HB   PRO   6          1HB       PRO   6   0.529  16.973  -7.269
   58   1HG   PRO   6          2HG       PRO   6   1.747  19.656  -6.893
   59   2HG   PRO   6          1HG       PRO   6   0.437  19.150  -7.970
   60   1HD   PRO   6          2HD       PRO   6   0.062  20.475  -5.596
   61   2HD   PRO   6          1HD       PRO   6  -1.157  19.438  -6.368
   62    H    ASN   7           H        ASN   7   2.068  19.621  -4.521
   63    HA   ASN   7           HA       ASN   7   4.688  18.534  -3.817
   64   1HB   ASN   7          2HB       ASN   7   4.050  20.814  -4.830
   65   2HB   ASN   7          1HB       ASN   7   3.576  21.276  -3.194
   66   1HD2  ASN   7          1HD2      ASN   7   5.232  22.306  -2.083
   67   2HD2  ASN   7          2HD2      ASN   7   6.890  22.014  -2.303
   68    H    ALA   8           H        ALA   8   1.721  19.161  -2.081
   69    HA   ALA   8           HA       ALA   8   3.046  19.251   0.557
   70   1HB   ALA   8          1HB       ALA   8   1.088  20.642   0.076
   71   2HB   ALA   8          2HB       ALA   8   0.662  19.453   1.307
   72   3HB   ALA   8          3HB       ALA   8   0.153  19.214  -0.365
   73    HA   PRO   9           HA       PRO   9   2.773  14.811   0.880
   74   1HB   PRO   9          2HB       PRO   9   3.289  14.547   3.552
   75   2HB   PRO   9          1HB       PRO   9   4.551  14.896   2.355
   76   1HG   PRO   9          2HG       PRO   9   3.170  16.731   4.240
   77   2HG   PRO   9          1HG       PRO   9   4.860  16.712   3.714
   78   1HD   PRO   9          2HD       PRO   9   2.978  18.447   2.743
   79   2HD   PRO   9          1HD       PRO   9   4.425  17.944   1.841
   80    H    LYS  10           H        LYS  10   0.557  14.398   0.547
   81    HA   LYS  10           HA       LYS  10  -1.593  15.183   2.230
   82   1HB   LYS  10          2HB       LYS  10  -2.809  13.401   0.997
   83   2HB   LYS  10          1HB       LYS  10  -1.808  14.369  -0.084
   84   1HG   LYS  10          2HG       LYS  10  -0.161  12.254   0.871
   85   2HG   LYS  10          1HG       LYS  10  -1.700  11.528   0.412
   86   1HD   LYS  10          2HD       LYS  10  -1.562  12.637  -1.795
   87   2HD   LYS  10          1HD       LYS  10  -0.008  13.337  -1.339
   88   1HE   LYS  10          2HE       LYS  10   0.918  11.044  -1.036
   89   2HE   LYS  10          1HE       LYS  10  -0.631  10.372  -1.585
   90   1HZ   LYS  10          1HZ       LYS  10   1.010  10.670  -3.404
   91   2HZ   LYS  10          2HZ       LYS  10   0.971  12.345  -3.123
   92   3HZ   LYS  10          3HZ       LYS  10  -0.428  11.535  -3.647
   93    H    ARG  11           H        ARG  11  -2.967  12.847   2.901
   94    HA   ARG  11           HA       ARG  11  -1.880  12.175   5.467
   95   1HB   ARG  11          2HB       ARG  11  -4.144  11.436   3.715
   96   2HB   ARG  11          1HB       ARG  11  -3.676  10.182   4.864
   97   1HG   ARG  11          2HG       ARG  11  -5.259  11.499   6.041
   98   2HG   ARG  11          1HG       ARG  11  -3.695  12.053   6.639
   99   1HD   ARG  11          2HD       ARG  11  -3.786  13.881   4.865
  100   2HD   ARG  11          1HD       ARG  11  -5.477  13.414   4.597
  101    HE   ARG  11           HE       ARG  11  -4.396  14.637   7.066
  102   1HH1  ARG  11          1HH1      ARG  11  -6.887  15.500   5.539
  103   2HH1  ARG  11          2HH1      ARG  11  -8.139  14.921   6.585
  104   1HH2  ARG  11          1HH2      ARG  11  -6.039  12.822   8.376
  105   2HH2  ARG  11          2HH2      ARG  11  -7.660  13.405   8.191
  106    HA   PRO  12           HA       PRO  12   0.928   8.987   4.158
  107   1HB   PRO  12          2HB       PRO  12   1.401   7.799   6.575
  108   2HB   PRO  12          1HB       PRO  12   2.109   9.359   6.112
  109   1HG   PRO  12          2HG       PRO  12  -0.191   8.781   7.894
  110   2HG   PRO  12          1HG       PRO  12   1.039  10.047   8.004
  111   1HD   PRO  12          2HD       PRO  12  -1.525  10.438   7.083
  112   2HD   PRO  12          1HD       PRO  12  -0.140  11.477   6.687
  113    HA   PRO  13           HA       PRO  13  -2.058   5.655   3.934
  114   1HB   PRO  13          2HB       PRO  13  -0.711   4.059   2.177
  115   2HB   PRO  13          1HB       PRO  13  -1.578   5.525   1.680
  116   1HG   PRO  13          2HG       PRO  13   1.319   5.056   1.971
  117   2HG   PRO  13          1HG       PRO  13   0.453   6.173   0.908
  118   1HD   PRO  13          2HD       PRO  13   1.769   6.824   3.301
  119   2HD   PRO  13          1HD       PRO  13   0.655   7.866   2.392
  120    H    SER  14           H        SER  14  -1.584   3.003   3.819
  121    HA   SER  14           HA       SER  14   0.643   2.131   5.498
  122   1HB   SER  14          2HB       SER  14  -0.880   3.298   7.088
  123   2HB   SER  14          1HB       SER  14  -2.177   2.203   6.620
  124    HG   SER  14           HG       SER  14   0.269   1.607   7.921
  125    H    ALA  15           H        ALA  15   0.247   1.009   3.150
  126    HA   ALA  15           HA       ALA  15  -0.101  -1.028   2.069
  127   1HB   ALA  15          1HB       ALA  15  -1.203  -2.610   4.201
  128   2HB   ALA  15          2HB       ALA  15   0.074  -1.594   4.868
  129   3HB   ALA  15          3HB       ALA  15   0.421  -2.677   3.521
  130    H    PHE  16           H        PHE  16  -2.729  -1.395   4.483
  131    HA   PHE  16           HA       PHE  16  -4.758  -2.207   2.772
  132   1HB   PHE  16          2HB       PHE  16  -4.591  -1.838   5.350
  133   2HB   PHE  16          1HB       PHE  16  -5.247  -0.240   5.001
  134    HD1  PHE  16           1HD      PHE  16  -6.116  -3.532   5.822
  135    HD2  PHE  16           2HD      PHE  16  -7.318  -0.286   3.279
  136    HE1  PHE  16           1HE      PHE  16  -8.397  -4.494   5.671
  137    HE2  PHE  16           2HE      PHE  16  -9.598  -1.249   3.127
  138    HZ   PHE  16           HZ       PHE  16 -10.138  -3.352   4.323
  139    H    PHE  17           H        PHE  17  -4.064   1.188   3.676
  140    HA   PHE  17           HA       PHE  17  -6.092   2.436   2.126
  141   1HB   PHE  17          2HB       PHE  17  -4.025   3.174   3.813
  142   2HB   PHE  17          1HB       PHE  17  -3.505   3.845   2.267
  143    HD1  PHE  17           1HD      PHE  17  -6.232   3.817   4.780
  144    HD2  PHE  17           2HD      PHE  17  -4.668   5.683   1.243
  145    HE1  PHE  17           1HE      PHE  17  -7.857   5.672   5.042
  146    HE2  PHE  17           2HE      PHE  17  -6.293   7.539   1.504
  147    HZ   PHE  17           HZ       PHE  17  -7.887   7.533   3.404
  148    H    LEU  18           H        LEU  18  -2.928   1.164   1.184
  149    HA   LEU  18           HA       LEU  18  -2.917   2.410  -1.454
  150   1HB   LEU  18          2HB       LEU  18  -1.347   0.026  -0.420
  151   2HB   LEU  18          1HB       LEU  18  -0.895   1.095  -1.741
  152    HG   LEU  18           HG       LEU  18  -1.081   1.841   1.197
  153   1HD1  LEU  18          1HD1      LEU  18   1.153   1.271  -0.725
  154   2HD1  LEU  18          2HD1      LEU  18   0.955   0.738   0.944
  155   3HD1  LEU  18          3HD1      LEU  18   1.412   2.406   0.600
  156   1HD2  LEU  18          1HD2      LEU  18   0.046   3.993   0.194
  157   2HD2  LEU  18          2HD2      LEU  18  -1.707   3.827   0.101
  158   3HD2  LEU  18          3HD2      LEU  18  -0.713   3.474  -1.312
  159    H    PHE  19           H        PHE  19  -3.949  -0.691  -0.095
  160    HA   PHE  19           HA       PHE  19  -4.313  -1.991  -2.687
  161   1HB   PHE  19          2HB       PHE  19  -3.779  -3.096  -0.487
  162   2HB   PHE  19          1HB       PHE  19  -5.408  -2.693   0.053
  163    HD1  PHE  19           1HD      PHE  19  -3.451  -4.634  -2.435
  164    HD2  PHE  19           2HD      PHE  19  -7.322  -3.918  -0.715
  165    HE1  PHE  19           1HE      PHE  19  -4.330  -6.656  -3.571
  166    HE2  PHE  19           2HE      PHE  19  -8.201  -5.940  -1.851
  167    HZ   PHE  19           HZ       PHE  19  -6.705  -7.309  -3.279
  168    H    CYS  20           H        CYS  20  -6.612  -0.897  -0.152
  169    HA   CYS  20           HA       CYS  20  -9.014  -1.334  -1.590
  170   1HB   CYS  20          2HB       CYS  20  -8.508  -0.647   0.872
  171   2HB   CYS  20          1HB       CYS  20  -8.568   1.006   0.260
  172    HG   CYS  20           HG       CYS  20 -11.024   0.787   0.491
  173    H    SER  21           H        SER  21  -7.217   1.754  -1.268
  174    HA   SER  21           HA       SER  21  -8.775   3.323  -3.033
  175   1HB   SER  21          2HB       SER  21  -6.817   4.764  -3.062
  176   2HB   SER  21          1HB       SER  21  -6.949   4.043  -1.460
  177    HG   SER  21           HG       SER  21  -4.849   4.000  -2.843
  178    H    GLU  22           H        GLU  22  -6.500   0.771  -3.776
  179    HA   GLU  22           HA       GLU  22  -6.359   1.595  -6.635
  180   1HB   GLU  22          2HB       GLU  22  -4.842  -0.176  -4.773
  181   2HB   GLU  22          1HB       GLU  22  -4.743  -0.497  -6.502
  182   1HG   GLU  22          2HG       GLU  22  -4.201   2.203  -5.233
  183   2HG   GLU  22          1HG       GLU  22  -2.945   1.047  -5.682
  184    H    TYR  23           H        TYR  23  -7.775  -0.832  -4.523
  185    HA   TYR  23           HA       TYR  23  -8.528  -2.557  -6.817
  186   1HB   TYR  23          2HB       TYR  23  -8.393  -2.718  -3.843
  187   2HB   TYR  23          1HB       TYR  23  -9.570  -3.754  -4.651
  188    HD1  TYR  23           1HD      TYR  23  -8.868  -5.826  -5.465
  189    HD2  TYR  23           2HD      TYR  23  -5.985  -2.683  -4.954
  190    HE1  TYR  23           1HE      TYR  23  -7.052  -7.386  -6.114
  191    HE2  TYR  23           2HE      TYR  23  -4.169  -4.244  -5.602
  192    HH   TYR  23           HH       TYR  23  -4.097  -6.464  -7.080
  193    H    ARG  24           H        ARG  24  -9.805   0.241  -5.805
  194    HA   ARG  24           HA       ARG  24 -12.594  -0.582  -5.434
  195   1HB   ARG  24          2HB       ARG  24 -11.028   1.978  -5.435
  196   2HB   ARG  24          1HB       ARG  24 -12.790   2.010  -5.519
  197   1HG   ARG  24          2HG       ARG  24 -13.049   1.001  -3.423
  198   2HG   ARG  24          1HG       ARG  24 -11.418   0.331  -3.438
  199   1HD   ARG  24          2HD       ARG  24 -10.465   2.293  -2.687
  200   2HD   ARG  24          1HD       ARG  24 -11.645   3.308  -3.541
  201    HE   ARG  24           HE       ARG  24 -12.374   1.735  -1.096
  202   1HH1  ARG  24          1HH1      ARG  24 -11.442   4.658  -0.934
  203   2HH1  ARG  24          2HH1      ARG  24 -12.967   5.478  -0.861
  204   1HH2  ARG  24          1HH2      ARG  24 -14.794   2.732  -1.932
  205   2HH2  ARG  24          2HH2      ARG  24 -14.864   4.388  -1.425
  206    HA   PRO  25           HA       PRO  25 -12.981   1.677  -9.681
  207   1HB   PRO  25          2HB       PRO  25 -10.762   1.724 -11.287
  208   2HB   PRO  25          1HB       PRO  25 -11.219   3.051 -10.200
  209   1HG   PRO  25          2HG       PRO  25  -9.188   0.912  -9.829
  210   2HG   PRO  25          1HG       PRO  25  -9.119   2.626  -9.387
  211   1HD   PRO  25          2HD       PRO  25  -9.605   0.659  -7.613
  212   2HD   PRO  25          1HD       PRO  25 -10.252   2.298  -7.415
  213    H    LYS  26           H        LYS  26 -11.118  -1.165  -9.026
  214    HA   LYS  26           HA       LYS  26 -11.511  -2.544 -11.555
  215   1HB   LYS  26          2HB       LYS  26  -9.815  -3.013  -9.705
  216   2HB   LYS  26          1HB       LYS  26 -11.158  -3.663  -8.760
  217   1HG   LYS  26          2HG       LYS  26 -10.684  -4.657 -11.559
  218   2HG   LYS  26          1HG       LYS  26  -9.716  -5.295 -10.228
  219   1HD   LYS  26          2HD       LYS  26 -12.024  -5.613  -9.038
  220   2HD   LYS  26          1HD       LYS  26 -12.685  -5.500 -10.670
  221   1HE   LYS  26          2HE       LYS  26 -11.258  -7.363 -11.407
  222   2HE   LYS  26          1HE       LYS  26 -10.535  -7.463  -9.789
  223   1HZ   LYS  26          1HZ       LYS  26 -13.439  -7.703 -10.374
  224   2HZ   LYS  26          2HZ       LYS  26 -12.706  -7.854  -8.848
  225   3HZ   LYS  26          3HZ       LYS  26 -12.408  -9.011 -10.056
  226    H    ILE  27           H        ILE  27 -13.085  -2.654  -8.364
  227    HA   ILE  27           HA       ILE  27 -15.145  -4.523  -8.878
  228    HB   ILE  27           HB       ILE  27 -15.305  -1.983  -7.215
  229   1HG1  ILE  27          2HG1      ILE  27 -13.279  -3.075  -6.510
  230   2HG1  ILE  27          1HG1      ILE  27 -14.508  -3.461  -5.322
  231   1HG2  ILE  27          1HG2      ILE  27 -16.719  -4.647  -7.081
  232   2HG2  ILE  27          2HG2      ILE  27 -17.432  -3.056  -7.346
  233   3HG2  ILE  27          3HG2      ILE  27 -16.753  -3.467  -5.771
  234   1HD1  ILE  27          1HD1      ILE  27 -13.357  -5.230  -7.465
  235   2HD1  ILE  27          2HD1      ILE  27 -14.917  -5.590  -6.728
  236   3HD1  ILE  27          3HD1      ILE  27 -13.464  -5.527  -5.730
  237    H    LYS  28           H        LYS  28 -14.924  -1.090  -9.599
  238    HA   LYS  28           HA       LYS  28 -17.706  -0.726 -10.279
  239   1HB   LYS  28          2HB       LYS  28 -15.578   1.025 -11.468
  240   2HB   LYS  28          1HB       LYS  28 -17.118   1.471 -10.752
  241   1HG   LYS  28          2HG       LYS  28 -14.540   0.784  -9.368
  242   2HG   LYS  28          1HG       LYS  28 -15.433   2.284  -9.278
  243   1HD   LYS  28          2HD       LYS  28 -16.254  -0.384  -8.076
  244   2HD   LYS  28          1HD       LYS  28 -15.709   1.043  -7.205
  245   1HE   LYS  28          2HE       LYS  28 -18.123   1.172  -9.031
  246   2HE   LYS  28          1HE       LYS  28 -18.267   0.680  -7.332
  247   1HZ   LYS  28          1HZ       LYS  28 -17.057   3.193  -8.356
  248   2HZ   LYS  28          2HZ       LYS  28 -16.998   2.694  -6.733
  249   3HZ   LYS  28          3HZ       LYS  28 -18.491   3.054  -7.461
  250    H    SER  29           H        SER  29 -14.807  -1.454 -12.203
  251    HA   SER  29           HA       SER  29 -15.885  -1.144 -14.808
  252   1HB   SER  29          2HB       SER  29 -13.496  -1.581 -14.075
  253   2HB   SER  29          1HB       SER  29 -13.942  -3.272 -13.865
  254    HG   SER  29           HG       SER  29 -14.223  -3.475 -16.003
  255    H    GLU  30           H        GLU  30 -16.381  -3.687 -12.442
  256    HA   GLU  30           HA       GLU  30 -17.957  -5.255 -14.457
  257   1HB   GLU  30          2HB       GLU  30 -16.017  -5.882 -12.344
  258   2HB   GLU  30          1HB       GLU  30 -17.478  -6.860 -12.236
  259   1HG   GLU  30          2HG       GLU  30 -16.087  -6.483 -14.880
  260   2HG   GLU  30          1HG       GLU  30 -15.533  -7.713 -13.742
  261    H    HIS  31           H        HIS  31 -18.073  -3.565 -11.404
  262    HA   HIS  31           HA       HIS  31 -20.937  -4.411 -11.075
  263   1HB   HIS  31          2HB       HIS  31 -19.021  -3.517  -8.894
  264   2HB   HIS  31          1HB       HIS  31 -20.604  -4.255  -8.685
  265    HD1  HIS  31           1HD      HIS  31 -17.036  -5.062  -9.308
  266    HD2  HIS  31           2HD      HIS  31 -20.676  -7.093  -9.307
  267    HE1  HIS  31           1HE      HIS  31 -16.476  -7.528  -9.318
  268    HA   PRO  32           HA       PRO  32 -20.972   0.102 -11.779
  269   1HB   PRO  32          2HB       PRO  32 -23.447   0.182 -12.942
  270   2HB   PRO  32          1HB       PRO  32 -21.967  -0.198 -13.839
  271   1HG   PRO  32          2HG       PRO  32 -24.092  -2.009 -12.851
  272   2HG   PRO  32          1HG       PRO  32 -23.105  -2.115 -14.316
  273   1HD   PRO  32          2HD       PRO  32 -22.690  -3.594 -12.026
  274   2HD   PRO  32          1HD       PRO  32 -21.460  -3.273 -13.266
  275    H    GLY  33           H        GLY  33 -23.560  -1.971 -10.526
  276   1HA   GLY  33          2HA       GLY  33 -24.896   0.167  -9.081
  277   2HA   GLY  33          1HA       GLY  33 -25.212  -1.557  -8.907
  278    H    LEU  34           H        LEU  34 -22.134  -1.819  -8.455
  279    HA   LEU  34           HA       LEU  34 -22.123  -2.098  -5.647
  280   1HB   LEU  34          2HB       LEU  34 -20.322  -2.286  -7.879
  281   2HB   LEU  34          1HB       LEU  34 -19.494  -1.439  -6.580
  282    HG   LEU  34           HG       LEU  34 -19.190  -3.917  -6.485
  283   1HD1  LEU  34          1HD1      LEU  34 -18.819  -3.154  -4.376
  284   2HD1  LEU  34          2HD1      LEU  34 -20.332  -3.985  -4.023
  285   3HD1  LEU  34          3HD1      LEU  34 -20.330  -2.247  -4.324
  286   1HD2  LEU  34          1HD2      LEU  34 -20.930  -5.388  -6.463
  287   2HD2  LEU  34          2HD2      LEU  34 -21.853  -4.050  -7.146
  288   3HD2  LEU  34          3HD2      LEU  34 -21.908  -4.364  -5.411
  289    H    SER  35           H        SER  35 -23.098  -0.128  -4.786
  290    HA   SER  35           HA       SER  35 -21.909   2.495  -5.151
  291   1HB   SER  35          2HB       SER  35 -24.249   2.147  -4.520
  292   2HB   SER  35          1HB       SER  35 -23.756   1.317  -3.047
  293    HG   SER  35           HG       SER  35 -24.083   3.926  -3.463
  294    H    ILE  36           H        ILE  36 -21.075   3.725  -3.122
  295    HA   ILE  36           HA       ILE  36 -18.644   2.612  -2.182
  296    HB   ILE  36           HB       ILE  36 -20.459   4.743  -1.000
  297   1HG1  ILE  36          2HG1      ILE  36 -19.751   5.187  -3.325
  298   2HG1  ILE  36          1HG1      ILE  36 -18.967   6.303  -2.211
  299   1HG2  ILE  36          1HG2      ILE  36 -17.583   3.999  -0.421
  300   2HG2  ILE  36          2HG2      ILE  36 -18.917   4.148   0.723
  301   3HG2  ILE  36          3HG2      ILE  36 -18.242   5.589  -0.037
  302   1HD1  ILE  36          1HD1      ILE  36 -17.755   3.849  -3.510
  303   2HD1  ILE  36          2HD1      ILE  36 -16.979   4.723  -2.189
  304   3HD1  ILE  36          3HD1      ILE  36 -17.270   5.530  -3.730
  305    H    GLY  37           H        GLY  37 -21.913   2.335  -0.907
  306   1HA   GLY  37          2HA       GLY  37 -21.313   1.431   1.726
  307   2HA   GLY  37          1HA       GLY  37 -22.782   1.023   0.836
  308    H    ASP  38           H        ASP  38 -22.275  -0.611  -1.057
  309    HA   ASP  38           HA       ASP  38 -21.261  -3.039   0.164
  310   1HB   ASP  38          2HB       ASP  38 -23.104  -2.607  -1.636
  311   2HB   ASP  38          1HB       ASP  38 -21.759  -2.617  -2.778
  312    H    THR  39           H        THR  39 -19.960  -0.696  -2.156
  313    HA   THR  39           HA       THR  39 -17.691  -2.229  -3.034
  314    HB   THR  39           HB       THR  39 -18.109   0.767  -2.761
  315    HG1  THR  39           1HG      THR  39 -18.968   0.627  -4.757
  316   1HG2  THR  39          1HG2      THR  39 -16.110  -0.883  -4.327
  317   2HG2  THR  39          2HG2      THR  39 -15.767   0.345  -3.110
  318   3HG2  THR  39          3HG2      THR  39 -16.440   0.816  -4.671
  319    H    ALA  40           H        ALA  40 -18.243  -0.172  -0.213
  320    HA   ALA  40           HA       ALA  40 -15.473  -0.063   0.642
  321   1HB   ALA  40          1HB       ALA  40 -17.182   1.569   1.313
  322   2HB   ALA  40          2HB       ALA  40 -16.535   0.766   2.745
  323   3HB   ALA  40          3HB       ALA  40 -18.111   0.295   2.106
  324    H    LYS  41           H        LYS  41 -18.220  -2.200   1.362
  325    HA   LYS  41           HA       LYS  41 -16.552  -3.781   3.228
  326   1HB   LYS  41          2HB       LYS  41 -18.673  -4.823   3.830
  327   2HB   LYS  41          1HB       LYS  41 -18.860  -3.073   3.811
  328   1HG   LYS  41          2HG       LYS  41 -19.718  -3.335   1.417
  329   2HG   LYS  41          1HG       LYS  41 -19.785  -5.065   1.731
  330   1HD   LYS  41          2HD       LYS  41 -21.971  -4.123   2.196
  331   2HD   LYS  41          1HD       LYS  41 -21.229  -4.587   3.725
  332   1HE   LYS  41          2HE       LYS  41 -20.376  -1.930   3.293
  333   2HE   LYS  41          1HE       LYS  41 -22.095  -1.952   2.859
  334   1HZ   LYS  41          1HZ       LYS  41 -22.570  -3.125   4.918
  335   2HZ   LYS  41          2HZ       LYS  41 -21.806  -1.642   5.245
  336   3HZ   LYS  41          3HZ       LYS  41 -20.927  -3.094   5.343
  337    H    LYS  42           H        LYS  42 -17.336  -3.871  -0.118
  338    HA   LYS  42           HA       LYS  42 -17.246  -6.818  -0.326
  339   1HB   LYS  42          2HB       LYS  42 -18.732  -5.341  -1.697
  340   2HB   LYS  42          1HB       LYS  42 -17.298  -4.606  -2.410
  341   1HG   LYS  42          2HG       LYS  42 -18.223  -6.329  -3.894
  342   2HG   LYS  42          1HG       LYS  42 -16.635  -6.816  -3.316
  343   1HD   LYS  42          2HD       LYS  42 -17.510  -8.698  -2.435
  344   2HD   LYS  42          1HD       LYS  42 -18.597  -7.742  -1.430
  345   1HE   LYS  42          2HE       LYS  42 -20.264  -8.699  -2.658
  346   2HE   LYS  42          1HE       LYS  42 -19.778  -7.574  -3.940
  347   1HZ   LYS  42          1HZ       LYS  42 -18.641 -10.281  -3.476
  348   2HZ   LYS  42          2HZ       LYS  42 -18.123  -9.191  -4.671
  349   3HZ   LYS  42          3HZ       LYS  42 -19.687  -9.852  -4.741
  350    H    LEU  43           H        LEU  43 -14.908  -4.624   0.319
  351    HA   LEU  43           HA       LEU  43 -12.895  -5.755  -1.579
  352   1HB   LEU  43          2HB       LEU  43 -13.203  -3.243   0.048
  353   2HB   LEU  43          1HB       LEU  43 -11.588  -3.760  -0.440
  354    HG   LEU  43           HG       LEU  43 -13.848  -3.564  -2.431
  355   1HD1  LEU  43          1HD1      LEU  43 -13.387  -1.312  -2.851
  356   2HD1  LEU  43          2HD1      LEU  43 -11.806  -1.388  -2.074
  357   3HD1  LEU  43          3HD1      LEU  43 -13.271  -1.379  -1.093
  358   1HD2  LEU  43          1HD2      LEU  43 -11.934  -3.320  -4.001
  359   2HD2  LEU  43          2HD2      LEU  43 -11.851  -4.831  -3.096
  360   3HD2  LEU  43          3HD2      LEU  43 -10.821  -3.474  -2.643
  361    H    GLY  44           H        GLY  44 -13.774  -5.423   1.818
  362   1HA   GLY  44          2HA       GLY  44 -11.298  -6.382   2.935
  363   2HA   GLY  44          1HA       GLY  44 -12.856  -6.365   3.764
  364    H    GLU  45           H        GLU  45 -14.129  -7.964   1.590
  365    HA   GLU  45           HA       GLU  45 -13.915 -10.571   2.658
  366   1HB   GLU  45          2HB       GLU  45 -15.650  -9.524   1.091
  367   2HB   GLU  45          1HB       GLU  45 -14.536  -9.890  -0.227
  368   1HG   GLU  45          2HG       GLU  45 -14.523 -12.297   0.648
  369   2HG   GLU  45          1HG       GLU  45 -15.907 -11.833   1.639
  370    H    MET  46           H        MET  46 -12.231  -9.176  -0.170
  371    HA   MET  46           HA       MET  46 -10.685 -11.628  -0.648
  372   1HB   MET  46          2HB       MET  46 -10.667  -8.805  -1.760
  373   2HB   MET  46          1HB       MET  46  -9.613 -10.086  -2.361
  374   1HG   MET  46          2HG       MET  46 -11.561 -11.457  -2.938
  375   2HG   MET  46          1HG       MET  46 -12.642 -10.228  -2.277
  376   1HE   MET  46          1HE       MET  46 -13.105  -7.653  -4.797
  377   2HE   MET  46          2HE       MET  46 -12.850  -7.880  -3.069
  378   3HE   MET  46          3HE       MET  46 -13.962  -8.938  -3.935
  379    H    TRP  47           H        TRP  47  -9.994  -8.314   0.500
  380    HA   TRP  47           HA       TRP  47  -7.217  -8.532   0.947
  381   1HB   TRP  47          2HB       TRP  47  -8.616  -6.481   1.089
  382   2HB   TRP  47          1HB       TRP  47  -9.306  -7.074   2.599
  383    HD1  TRP  47           HD       TRP  47  -8.102  -6.356   4.716
  384    HE1  TRP  47           1HE      TRP  47  -5.769  -5.422   5.289
  385    HE3  TRP  47           3HE      TRP  47  -5.896  -6.610   0.116
  386    HZ2  TRP  47           2HZ      TRP  47  -3.294  -4.858   3.970
  387    HZ3  TRP  47           3HZ      TRP  47  -3.552  -5.869  -0.195
  388    HH2  TRP  47           HH       TRP  47  -2.249  -4.994   1.725
  389    H    SER  48           H        SER  48  -9.838 -10.006   2.754
  390    HA   SER  48           HA       SER  48  -8.051 -10.633   5.048
  391   1HB   SER  48          2HB       SER  48 -10.433  -9.769   5.253
  392   2HB   SER  48          1HB       SER  48 -10.971 -11.306   4.579
  393    HG   SER  48           HG       SER  48 -10.262 -12.343   6.350
  394    H    GLU  49           H        GLU  49  -9.760 -12.171   2.357
  395    HA   GLU  49           HA       GLU  49  -9.418 -14.909   3.126
  396   1HB   GLU  49          2HB       GLU  49  -9.810 -13.379   0.562
  397   2HB   GLU  49          1HB       GLU  49  -9.533 -15.120   0.505
  398   1HG   GLU  49          2HG       GLU  49 -11.614 -13.956   2.347
  399   2HG   GLU  49          1HG       GLU  49 -11.987 -14.279   0.654
  400    H    GLN  50           H        GLN  50  -7.309 -12.643   1.393
  401    HA   GLN  50           HA       GLN  50  -5.315 -14.451   0.470
  402   1HB   GLN  50          2HB       GLN  50  -5.186 -11.576   1.433
  403   2HB   GLN  50          1HB       GLN  50  -3.886 -12.376   0.549
  404   1HG   GLN  50          2HG       GLN  50  -6.645 -12.467  -0.605
  405   2HG   GLN  50          1HG       GLN  50  -5.735 -10.962  -0.734
  406   1HE2  GLN  50          1HE2      GLN  50  -4.579 -10.859  -2.657
  407   2HE2  GLN  50          2HE2      GLN  50  -3.880 -12.187  -3.451
  408    H    SER  51           H        SER  51  -3.212 -14.931   1.396
  409    HA   SER  51           HA       SER  51  -3.307 -15.424   4.304
  410   1HB   SER  51          2HB       SER  51  -2.554 -17.054   2.505
  411   2HB   SER  51          1HB       SER  51  -1.149 -16.022   2.251
  412    HG   SER  51           HG       SER  51  -1.418 -17.919   4.023
  413    H    ALA  52           H        ALA  52  -0.313 -15.214   4.497
  414    HA   ALA  52           HA       ALA  52  -0.180 -12.338   5.151
  415   1HB   ALA  52          1HB       ALA  52   1.821 -14.600   5.470
  416   2HB   ALA  52          2HB       ALA  52   0.596 -14.167   6.664
  417   3HB   ALA  52          3HB       ALA  52   1.888 -13.031   6.273
  418    H    LYS  53           H        LYS  53  -0.353 -12.603   2.382
  419    HA   LYS  53           HA       LYS  53   2.446 -12.003   1.481
  420   1HB   LYS  53          2HB       LYS  53   0.245 -13.706   0.375
  421   2HB   LYS  53          1HB       LYS  53   1.308 -12.884  -0.767
  422   1HG   LYS  53          2HG       LYS  53   3.275 -13.884   0.313
  423   2HG   LYS  53          1HG       LYS  53   2.234 -14.681   1.493
  424   1HD   LYS  53          2HD       LYS  53   1.713 -15.114  -1.429
  425   2HD   LYS  53          1HD       LYS  53   3.035 -15.989  -0.655
  426   1HE   LYS  53          2HE       LYS  53   0.317 -15.946   0.648
  427   2HE   LYS  53          1HE       LYS  53   0.659 -17.092  -0.664
  428   1HZ   LYS  53          1HZ       LYS  53   2.642 -17.804   0.514
  429   2HZ   LYS  53          2HZ       LYS  53   1.271 -18.022   1.494
  430   3HZ   LYS  53          3HZ       LYS  53   2.321 -16.714   1.773
  431    H    ASP  54           H        ASP  54  -1.031 -11.389   0.973
  432    HA   ASP  54           HA       ASP  54  -0.885  -9.355  -0.983
  433   1HB   ASP  54          2HB       ASP  54  -3.093  -8.688  -0.038
  434   2HB   ASP  54          1HB       ASP  54  -2.949 -10.437  -0.209
  435    H    LYS  55           H        LYS  55  -0.329  -9.151   2.519
  436    HA   LYS  55           HA       LYS  55   0.064  -6.200   2.291
  437   1HB   LYS  55          2HB       LYS  55  -1.432  -7.395   4.019
  438   2HB   LYS  55          1HB       LYS  55   0.071  -7.891   4.794
  439   1HG   LYS  55          2HG       LYS  55   0.721  -5.401   4.729
  440   2HG   LYS  55          1HG       LYS  55  -0.975  -5.091   4.362
  441   1HD   LYS  55          2HD       LYS  55  -1.662  -6.219   6.420
  442   2HD   LYS  55          1HD       LYS  55   0.016  -6.632   6.778
  443   1HE   LYS  55          2HE       LYS  55  -0.702  -3.746   6.327
  444   2HE   LYS  55          1HE       LYS  55  -1.041  -4.494   7.901
  445   1HZ   LYS  55          1HZ       LYS  55   1.209  -3.597   7.836
  446   2HZ   LYS  55          2HZ       LYS  55   1.570  -4.557   6.480
  447   3HZ   LYS  55          3HZ       LYS  55   1.240  -5.286   7.979
  448    H    GLN  56           H        GLN  56   2.049  -8.360   1.383
  449    HA   GLN  56           HA       GLN  56   4.280  -7.857   3.288
  450   1HB   GLN  56          2HB       GLN  56   3.504  -9.916   1.338
  451   2HB   GLN  56          1HB       GLN  56   5.217  -9.509   1.277
  452   1HG   GLN  56          2HG       GLN  56   5.053  -9.695   3.900
  453   2HG   GLN  56          1HG       GLN  56   3.623 -10.664   3.544
  454   1HE2  GLN  56          1HE2      GLN  56   7.148 -10.545   3.221
  455   2HE2  GLN  56          2HE2      GLN  56   7.334 -12.157   2.724
  456    HA   PRO  57           HA       PRO  57   6.125  -6.029  -0.648
  457   1HB   PRO  57          2HB       PRO  57   4.808  -6.105  -3.022
  458   2HB   PRO  57          1HB       PRO  57   5.817  -7.445  -2.444
  459   1HG   PRO  57          2HG       PRO  57   2.892  -7.196  -2.541
  460   2HG   PRO  57          1HG       PRO  57   3.900  -8.642  -2.630
  461   1HD   PRO  57          2HD       PRO  57   2.465  -7.721  -0.400
  462   2HD   PRO  57          1HD       PRO  57   3.695  -8.999  -0.417
  463    H    TYR  58           H        TYR  58   2.591  -5.645  -0.665
  464    HA   TYR  58           HA       TYR  58   2.699  -2.860  -1.567
  465   1HB   TYR  58          2HB       TYR  58   0.769  -4.988  -1.115
  466   2HB   TYR  58          1HB       TYR  58   0.179  -3.470  -0.444
  467    HD1  TYR  58           1HD      TYR  58   1.103  -5.270  -3.501
  468    HD2  TYR  58           2HD      TYR  58  -0.138  -1.489  -1.883
  469    HE1  TYR  58           1HE      TYR  58   0.540  -4.478  -5.783
  470    HE2  TYR  58           2HE      TYR  58  -0.702  -0.698  -4.166
  471    HH   TYR  58           HH       TYR  58  -1.383  -1.997  -6.445
  472    H    GLU  59           H        GLU  59   3.581  -4.149   1.358
  473    HA   GLU  59           HA       GLU  59   2.251  -2.080   3.024
  474   1HB   GLU  59          2HB       GLU  59   3.074  -3.441   4.867
  475   2HB   GLU  59          1HB       GLU  59   2.371  -4.502   3.654
  476   1HG   GLU  59          2HG       GLU  59   4.333  -5.650   3.800
  477   2HG   GLU  59          1HG       GLU  59   4.984  -4.350   2.806
  478    H    GLN  60           H        GLN  60   5.340  -2.778   1.540
  479    HA   GLN  60           HA       GLN  60   6.928  -1.043   3.258
  480   1HB   GLN  60          2HB       GLN  60   8.665  -1.524   1.602
  481   2HB   GLN  60          1HB       GLN  60   7.772  -3.001   1.944
  482   1HG   GLN  60          2HG       GLN  60   6.303  -2.248  -0.106
  483   2HG   GLN  60          1HG       GLN  60   7.717  -1.283  -0.519
  484   1HE2  GLN  60          1HE2      GLN  60   9.864  -2.859   0.074
  485   2HE2  GLN  60          2HE2      GLN  60   9.800  -4.336  -0.760
  486    H    LYS  61           H        LYS  61   4.885  -0.579   0.469
  487    HA   LYS  61           HA       LYS  61   5.975   1.826  -0.617
  488   1HB   LYS  61          2HB       LYS  61   4.250   0.418  -1.680
  489   2HB   LYS  61          1HB       LYS  61   3.114   0.823  -0.395
  490   1HG   LYS  61          2HG       LYS  61   2.948   3.078  -1.095
  491   2HG   LYS  61          1HG       LYS  61   4.409   2.968  -2.079
  492   1HD   LYS  61          2HD       LYS  61   3.152   1.207  -3.462
  493   2HD   LYS  61          1HD       LYS  61   1.697   1.753  -2.627
  494   1HE   LYS  61          2HE       LYS  61   2.263   4.113  -3.382
  495   2HE   LYS  61          1HE       LYS  61   3.517   3.395  -4.414
  496   1HZ   LYS  61          1HZ       LYS  61   0.644   2.632  -4.417
  497   2HZ   LYS  61          2HZ       LYS  61   1.854   1.963  -5.406
  498   3HZ   LYS  61          3HZ       LYS  61   1.400   3.590  -5.596
  499    H    ALA  62           H        ALA  62   3.619   1.293   2.012
  500    HA   ALA  62           HA       ALA  62   3.141   4.110   2.515
  501   1HB   ALA  62          1HB       ALA  62   1.479   2.586   3.215
  502   2HB   ALA  62          2HB       ALA  62   2.273   3.033   4.726
  503   3HB   ALA  62          3HB       ALA  62   2.660   1.498   3.946
  504    H    ALA  63           H        ALA  63   5.818   2.067   3.208
  505    HA   ALA  63           HA       ALA  63   6.633   3.489   5.661
  506   1HB   ALA  63          1HB       ALA  63   6.965   1.035   5.227
  507   2HB   ALA  63          2HB       ALA  63   8.467   1.883   5.597
  508   3HB   ALA  63          3HB       ALA  63   8.080   1.460   3.928
  509    H    LYS  64           H        LYS  64   6.601   4.433   2.509
  510    HA   LYS  64           HA       LYS  64   9.324   5.666   2.551
  511   1HB   LYS  64          2HB       LYS  64   7.269   4.991   0.438
  512   2HB   LYS  64          1HB       LYS  64   8.602   6.093   0.096
  513   1HG   LYS  64          2HG       LYS  64   8.945   3.282   1.178
  514   2HG   LYS  64          1HG       LYS  64   9.105   3.716  -0.524
  515   1HD   LYS  64          2HD       LYS  64  10.842   5.445   0.243
  516   2HD   LYS  64          1HD       LYS  64  10.832   4.603   1.792
  517   1HE   LYS  64          2HE       LYS  64  12.586   3.534   0.614
  518   2HE   LYS  64          1HE       LYS  64  11.207   2.450   0.333
  519   1HZ   LYS  64          1HZ       LYS  64  12.047   4.679  -1.447
  520   2HZ   LYS  64          2HZ       LYS  64  10.717   3.654  -1.705
  521   3HZ   LYS  64          3HZ       LYS  64  12.297   3.030  -1.755
  522    H    LEU  65           H        LEU  65   5.867   6.289   2.340
  523    HA   LEU  65           HA       LEU  65   6.127   9.179   1.972
  524   1HB   LEU  65          2HB       LEU  65   3.988   7.126   2.352
  525   2HB   LEU  65          1HB       LEU  65   3.572   8.808   2.675
  526    HG   LEU  65           HG       LEU  65   4.727   9.272   0.376
  527   1HD1  LEU  65          1HD1      LEU  65   4.177   6.297   0.294
  528   2HD1  LEU  65          2HD1      LEU  65   5.692   7.127  -0.062
  529   3HD1  LEU  65          3HD1      LEU  65   4.325   7.274  -1.166
  530   1HD2  LEU  65          1HD2      LEU  65   2.571   8.850  -0.775
  531   2HD2  LEU  65          2HD2      LEU  65   2.319   9.564   0.817
  532   3HD2  LEU  65          3HD2      LEU  65   2.058   7.836   0.575
  533    H    LYS  66           H        LYS  66   6.750   7.257   4.644
  534    HA   LYS  66           HA       LYS  66   5.506   9.037   6.655
  535   1HB   LYS  66          2HB       LYS  66   5.667   6.477   6.733
  536   2HB   LYS  66          1HB       LYS  66   7.388   6.699   7.052
  537   1HG   LYS  66          2HG       LYS  66   6.981   7.816   9.101
  538   2HG   LYS  66          1HG       LYS  66   5.286   8.102   8.703
  539   1HD   LYS  66          2HD       LYS  66   4.715   5.816   9.014
  540   2HD   LYS  66          1HD       LYS  66   6.405   5.311   8.994
  541   1HE   LYS  66          2HE       LYS  66   5.496   7.260  11.098
  542   2HE   LYS  66          1HE       LYS  66   5.168   5.528  11.310
  543   1HZ   LYS  66          1HZ       LYS  66   7.354   6.125  12.191
  544   2HZ   LYS  66          2HZ       LYS  66   7.818   6.716  10.667
  545   3HZ   LYS  66          3HZ       LYS  66   7.495   5.060  10.878
  546    H    GLU  67           H        GLU  67   8.605   8.429   5.113
  547    HA   GLU  67           HA       GLU  67  10.145   9.968   7.096
  548   1HB   GLU  67          2HB       GLU  67  10.606   8.404   4.587
  549   2HB   GLU  67          1HB       GLU  67  11.835   9.579   5.059
  550   1HG   GLU  67          2HG       GLU  67  10.753   7.642   7.090
  551   2HG   GLU  67          1HG       GLU  67  12.011   7.130   5.965
  552    H    LYS  68           H        LYS  68   8.272  10.673   4.278
  553    HA   LYS  68           HA       LYS  68   9.724  13.237   3.793
  554   1HB   LYS  68          2HB       LYS  68   7.714  11.554   2.283
  555   2HB   LYS  68          1HB       LYS  68   8.110  13.197   1.777
  556   1HG   LYS  68          2HG       LYS  68  10.604  12.288   2.044
  557   2HG   LYS  68          1HG       LYS  68   9.812  10.740   1.744
  558   1HD   LYS  68          2HD       LYS  68  10.327  11.463  -0.425
  559   2HD   LYS  68          1HD       LYS  68   8.658  12.001  -0.236
  560   1HE   LYS  68          2HE       LYS  68   9.384  14.261   0.305
  561   2HE   LYS  68          1HE       LYS  68  11.084  13.749   0.312
  562   1HZ   LYS  68          1HZ       LYS  68  10.881  13.076  -1.983
  563   2HZ   LYS  68          2HZ       LYS  68  10.427  14.706  -1.835
  564   3HZ   LYS  68          3HZ       LYS  68   9.240  13.503  -2.006
  565    H    TYR  69           H        TYR  69   6.663  11.871   4.873
  566    HA   TYR  69           HA       TYR  69   5.173  14.375   4.871
  567   1HB   TYR  69          2HB       TYR  69   4.132  12.146   4.700
  568   2HB   TYR  69          1HB       TYR  69   4.781  11.706   6.277
  569    HD1  TYR  69           1HD      TYR  69   4.055  13.068   8.317
  570    HD2  TYR  69           2HD      TYR  69   2.076  13.314   4.513
  571    HE1  TYR  69           1HE      TYR  69   2.066  14.058   9.416
  572    HE2  TYR  69           2HE      TYR  69   0.088  14.308   5.612
  573    HH   TYR  69           HH       TYR  69  -0.628  14.096   8.651
  574    H    GLU  70           H        GLU  70   6.562  12.342   7.471
  575    HA   GLU  70           HA       GLU  70   6.084  14.254   9.581
  576   1HB   GLU  70          2HB       GLU  70   7.758  11.780   9.194
  577   2HB   GLU  70          1HB       GLU  70   7.864  12.702  10.694
  578   1HG   GLU  70          2HG       GLU  70   5.302  12.558  10.777
  579   2HG   GLU  70          1HG       GLU  70   5.442  11.328   9.520
  580    H    LYS  71           H        LYS  71   8.419  14.292   7.066
  581    HA   LYS  71           HA       LYS  71  10.318  15.916   8.713
  582   1HB   LYS  71          2HB       LYS  71  10.499  14.241   6.213
  583   2HB   LYS  71          1HB       LYS  71  11.746  15.434   6.582
  584   1HG   LYS  71          2HG       LYS  71  11.854  14.336   8.912
  585   2HG   LYS  71          1HG       LYS  71  10.951  13.005   8.188
  586   1HD   LYS  71          2HD       LYS  71  12.750  12.989   6.357
  587   2HD   LYS  71          1HD       LYS  71  13.693  14.023   7.431
  588   1HE   LYS  71          2HE       LYS  71  12.532  11.384   8.367
  589   2HE   LYS  71          1HE       LYS  71  14.151  11.512   7.650
  590   1HZ   LYS  71          1HZ       LYS  71  13.157  13.108   9.952
  591   2HZ   LYS  71          2HZ       LYS  71  14.705  13.218   9.261
  592   3HZ   LYS  71          3HZ       LYS  71  14.228  11.799  10.063
  593    H    ASP  72           H        ASP  72   8.345  15.931   5.764
  594    HA   ASP  72           HA       ASP  72   9.278  18.611   4.968
  595   1HB   ASP  72          2HB       ASP  72   8.648  16.618   3.476
  596   2HB   ASP  72          1HB       ASP  72   6.971  16.994   3.869
  597    H    ILE  73           H        ILE  73   6.412  17.154   6.479
  598    HA   ILE  73           HA       ILE  73   4.679  19.421   6.287
  599    HB   ILE  73           HB       ILE  73   4.187  16.978   6.877
  600   1HG1  ILE  73          2HG1      ILE  73   2.435  17.810   8.691
  601   2HG1  ILE  73          1HG1      ILE  73   3.022  19.397   8.191
  602   1HG2  ILE  73          1HG2      ILE  73   5.927  17.009   8.785
  603   2HG2  ILE  73          2HG2      ILE  73   4.379  16.230   9.116
  604   3HG2  ILE  73          3HG2      ILE  73   4.696  17.857   9.722
  605   1HD1  ILE  73          1HD1      ILE  73   1.098  18.754   6.813
  606   2HD1  ILE  73          2HD1      ILE  73   1.904  17.252   6.360
  607   3HD1  ILE  73          3HD1      ILE  73   2.556  18.799   5.822
  608    H    ALA  74           H        ALA  74   7.442  18.850   8.323
  609    HA   ALA  74           HA       ALA  74   6.748  20.574  10.532
  610   1HB   ALA  74          1HB       ALA  74   9.250  20.503  10.869
  611   2HB   ALA  74          2HB       ALA  74   9.379  19.660   9.325
  612   3HB   ALA  74          3HB       ALA  74   8.516  18.911  10.670
  613    H    ALA  75           H        ALA  75   8.689  21.110   7.576
  614    HA   ALA  75           HA       ALA  75   8.915  23.998   8.116
  615   1HB   ALA  75          1HB       ALA  75  10.691  22.504   7.101
  616   2HB   ALA  75          2HB       ALA  75  10.324  23.940   6.145
  617   3HB   ALA  75          3HB       ALA  75   9.671  22.373   5.668
  618    H    TYR  76           H        TYR  76   6.952  21.821   6.179
  619    HA   TYR  76           HA       TYR  76   5.914  23.671   4.261
  620   1HB   TYR  76          2HB       TYR  76   5.739  21.162   4.266
  621   2HB   TYR  76          1HB       TYR  76   4.551  21.290   5.565
  622    HD1  TYR  76           1HD      TYR  76   5.259  22.285   2.044
  623    HD2  TYR  76           2HD      TYR  76   2.282  21.841   5.108
  624    HE1  TYR  76           1HE      TYR  76   3.477  22.699   0.372
  625    HE2  TYR  76           2HE      TYR  76   0.499  22.255   3.435
  626    HH   TYR  76           HH       TYR  76   0.795  23.684   0.751
  627    H    ARG  77           H        ARG  77   5.098  23.058   7.633
  628    HA   ARG  77           HA       ARG  77   2.566  24.489   7.619
  629   1HB   ARG  77          2HB       ARG  77   4.521  23.539   9.726
  630   2HB   ARG  77          1HB       ARG  77   3.028  24.376  10.148
  631   1HG   ARG  77          2HG       ARG  77   1.681  22.670   9.135
  632   2HG   ARG  77          1HG       ARG  77   3.089  21.919   8.383
  633   1HD   ARG  77          2HD       ARG  77   2.792  20.538  10.253
  634   2HD   ARG  77          1HD       ARG  77   3.920  21.740  10.910
  635    HE   ARG  77           HE       ARG  77   2.088  22.786  12.066
  636   1HH1  ARG  77          1HH1      ARG  77   1.483  19.674  12.040
  637   2HH1  ARG  77          2HH1      ARG  77  -0.237  19.735  11.847
  638   1HH2  ARG  77          1HH2      ARG  77  -0.285  23.087  10.960
  639   2HH2  ARG  77          2HH2      ARG  77  -1.238  21.667  11.235
  640    H    ALA  78           H        ALA  78   5.452  25.357   9.534
  641    HA   ALA  78           HA       ALA  78   6.413  27.455  10.021
  642   1HB   ALA  78          1HB       ALA  78   5.287  28.405   7.391
  643   2HB   ALA  78          2HB       ALA  78   6.552  27.177   7.419
  644   3HB   ALA  78          3HB       ALA  78   6.853  28.767   8.118
  645    H    LYS  79           H        LYS  79   5.238  28.349  11.692
  646    HA   LYS  79           HA       LYS  79   2.870  30.033  10.951
  647   1HB   LYS  79          2HB       LYS  79   1.891  29.301  13.121
  648   2HB   LYS  79          1HB       LYS  79   2.176  27.943  12.034
  649   1HG   LYS  79          2HG       LYS  79   4.545  28.445  13.622
  650   2HG   LYS  79          1HG       LYS  79   3.146  28.259  14.678
  651   1HD   LYS  79          2HD       LYS  79   3.673  26.319  12.426
  652   2HD   LYS  79          1HD       LYS  79   4.425  26.113  14.008
  653   1HE   LYS  79          2HE       LYS  79   1.968  26.422  14.913
  654   2HE   LYS  79          1HE       LYS  79   1.515  25.939  13.266
  655   1HZ   LYS  79          1HZ       LYS  79   2.971  24.020  13.461
  656   2HZ   LYS  79          2HZ       LYS  79   1.806  24.000  14.698
  657   3HZ   LYS  79          3HZ       LYS  79   3.402  24.474  15.037
  Start of MODEL    4
    1   1H    MET   1          1HT       MET   1 -13.235  20.627  -6.840
    2   2H    MET   1          2HT       MET   1 -13.182  19.513  -5.558
    3   3H    MET   1          3HT       MET   1 -11.824  20.473  -5.909
    4    HA   MET   1           HA       MET   1 -13.093  22.479  -5.306
    5   1HB   MET   1          2HB       MET   1 -15.219  21.107  -5.961
    6   2HB   MET   1          1HB       MET   1 -15.169  20.542  -4.290
    7   1HG   MET   1          2HG       MET   1 -15.394  22.761  -3.433
    8   2HG   MET   1          1HG       MET   1 -15.081  23.478  -5.013
    9   1HE   MET   1          1HE       MET   1 -16.163  22.627  -6.973
   10   2HE   MET   1          2HE       MET   1 -17.399  23.880  -6.893
   11   3HE   MET   1          3HE       MET   1 -17.870  22.204  -7.164
   12    H    LYS   2           H        LYS   2 -13.606  19.445  -3.457
   13    HA   LYS   2           HA       LYS   2 -12.428  20.724  -1.047
   14   1HB   LYS   2          2HB       LYS   2 -14.073  18.292  -1.701
   15   2HB   LYS   2          1HB       LYS   2 -13.214  18.367  -0.162
   16   1HG   LYS   2          2HG       LYS   2 -15.364  19.286   0.284
   17   2HG   LYS   2          1HG       LYS   2 -14.289  20.678   0.144
   18   1HD   LYS   2          2HD       LYS   2 -15.169  21.330  -1.891
   19   2HD   LYS   2          1HD       LYS   2 -15.626  19.687  -2.340
   20   1HE   LYS   2          2HE       LYS   2 -17.180  20.195  -0.079
   21   2HE   LYS   2          1HE       LYS   2 -17.192  21.732  -0.965
   22   1HZ   LYS   2          1HZ       LYS   2 -17.679  20.482  -3.003
   23   2HZ   LYS   2          2HZ       LYS   2 -18.902  20.291  -1.838
   24   3HZ   LYS   2          3HZ       LYS   2 -17.773  19.048  -2.100
   25    H    LYS   3           H        LYS   3 -10.171  20.698  -1.503
   26    HA   LYS   3           HA       LYS   3  -8.794  18.203  -1.023
   27   1HB   LYS   3          2HB       LYS   3  -9.645  18.584  -3.608
   28   2HB   LYS   3          1HB       LYS   3  -8.015  19.255  -3.672
   29   1HG   LYS   3          2HG       LYS   3  -7.157  17.151  -2.626
   30   2HG   LYS   3          1HG       LYS   3  -8.785  16.481  -2.722
   31   1HD   LYS   3          2HD       LYS   3  -7.485  17.610  -5.186
   32   2HD   LYS   3          1HD       LYS   3  -7.091  15.976  -4.654
   33   1HE   LYS   3          2HE       LYS   3  -9.603  15.518  -4.583
   34   2HE   LYS   3          1HE       LYS   3  -9.811  17.058  -5.443
   35   1HZ   LYS   3          1HZ       LYS   3  -9.571  15.258  -7.026
   36   2HZ   LYS   3          2HZ       LYS   3  -8.105  14.782  -6.311
   37   3HZ   LYS   3          3HZ       LYS   3  -8.218  16.278  -7.108
   38    H    LYS   4           H        LYS   4  -6.317  18.918  -2.224
   39    HA   LYS   4           HA       LYS   4  -5.692  21.638  -1.270
   40   1HB   LYS   4          2HB       LYS   4  -4.418  19.078  -0.249
   41   2HB   LYS   4          1HB       LYS   4  -3.903  20.705   0.191
   42   1HG   LYS   4          2HG       LYS   4  -6.374  21.055   0.917
   43   2HG   LYS   4          1HG       LYS   4  -6.463  19.293   0.904
   44   1HD   LYS   4          2HD       LYS   4  -4.393  19.291   2.378
   45   2HD   LYS   4          1HD       LYS   4  -4.613  21.033   2.551
   46   1HE   LYS   4          2HE       LYS   4  -6.848  19.078   3.158
   47   2HE   LYS   4          1HE       LYS   4  -5.681  19.599   4.390
   48   1HZ   LYS   4          1HZ       LYS   4  -7.595  21.081   4.341
   49   2HZ   LYS   4          2HZ       LYS   4  -7.333  21.397   2.693
   50   3HZ   LYS   4          3HZ       LYS   4  -6.195  21.902   3.848
   51    H    ASP   5           H        ASP   5  -2.827  21.142  -1.348
   52    HA   ASP   5           HA       ASP   5  -2.309  21.476  -4.163
   53   1HB   ASP   5          2HB       ASP   5  -0.791  21.225  -1.608
   54   2HB   ASP   5          1HB       ASP   5   0.113  20.960  -3.099
   55    HA   PRO   6           HA       PRO   6  -1.989  17.222  -5.343
   56   1HB   PRO   6          2HB       PRO   6  -0.351  17.440  -7.523
   57   2HB   PRO   6          1HB       PRO   6  -2.057  17.930  -7.545
   58   1HG   PRO   6          2HG       PRO   6   0.390  19.602  -7.289
   59   2HG   PRO   6          1HG       PRO   6  -1.113  19.925  -8.168
   60   1HD   PRO   6          2HD       PRO   6  -0.510  21.021  -5.740
   61   2HD   PRO   6          1HD       PRO   6  -2.169  20.749  -6.316
   62    H    ASN   7           H        ASN   7   1.049  19.092  -5.259
   63    HA   ASN   7           HA       ASN   7   2.725  16.727  -4.870
   64   1HB   ASN   7          2HB       ASN   7   3.189  19.081  -5.937
   65   2HB   ASN   7          1HB       ASN   7   3.520  19.565  -4.274
   66   1HD2  ASN   7          1HD2      ASN   7   5.241  18.808  -6.867
   67   2HD2  ASN   7          2HD2      ASN   7   6.487  17.872  -6.192
   68    H    ALA   8           H        ALA   8   0.605  18.240  -2.764
   69    HA   ALA   8           HA       ALA   8   2.354  18.103  -0.378
   70   1HB   ALA   8          1HB       ALA   8   0.358  19.084   0.708
   71   2HB   ALA   8          2HB       ALA   8  -0.565  18.838  -0.776
   72   3HB   ALA   8          3HB       ALA   8   0.780  19.978  -0.753
   73    HA   PRO   9           HA       PRO   9   0.839  13.932   0.278
   74   1HB   PRO   9          2HB       PRO   9   1.964  13.491   2.729
   75   2HB   PRO   9          1HB       PRO   9   2.894  13.433   1.219
   76   1HG   PRO   9          2HG       PRO   9   2.722  15.598   3.249
   77   2HG   PRO   9          1HG       PRO   9   4.112  15.041   2.306
   78   1HD   PRO   9          2HD       PRO   9   2.671  17.295   1.726
   79   2HD   PRO   9          1HD       PRO   9   3.589  16.367   0.523
   80    H    LYS  10           H        LYS  10  -1.407  14.628   0.533
   81    HA   LYS  10           HA       LYS  10  -2.254  15.319   3.284
   82   1HB   LYS  10          2HB       LYS  10  -4.306  16.086   2.152
   83   2HB   LYS  10          1HB       LYS  10  -2.878  16.795   1.405
   84   1HG   LYS  10          2HG       LYS  10  -3.313  14.341   0.059
   85   2HG   LYS  10          1HG       LYS  10  -4.897  15.099   0.210
   86   1HD   LYS  10          2HD       LYS  10  -3.981  17.191  -0.751
   87   2HD   LYS  10          1HD       LYS  10  -2.413  16.405  -0.940
   88   1HE   LYS  10          2HE       LYS  10  -3.170  15.001  -2.653
   89   2HE   LYS  10          1HE       LYS  10  -4.865  15.127  -2.139
   90   1HZ   LYS  10          1HZ       LYS  10  -4.818  17.483  -2.725
   91   2HZ   LYS  10          2HZ       LYS  10  -4.470  16.513  -4.076
   92   3HZ   LYS  10          3HZ       LYS  10  -3.219  17.330  -3.269
   93    H    ARG  11           H        ARG  11  -1.488  12.596   2.505
   94    HA   ARG  11           HA       ARG  11  -3.783  11.153   3.568
   95   1HB   ARG  11          2HB       ARG  11  -4.364  11.657   1.151
   96   2HB   ARG  11          1HB       ARG  11  -3.002  10.637   0.686
   97   1HG   ARG  11          2HG       ARG  11  -4.793   9.125   0.646
   98   2HG   ARG  11          1HG       ARG  11  -4.112   8.868   2.254
   99   1HD   ARG  11          2HD       ARG  11  -5.863   9.995   3.324
  100   2HD   ARG  11          1HD       ARG  11  -6.279  10.928   1.872
  101    HE   ARG  11           HE       ARG  11  -6.587   7.993   1.672
  102   1HH1  ARG  11          1HH1      ARG  11  -7.879  10.224  -0.024
  103   2HH1  ARG  11          2HH1      ARG  11  -9.522  10.118   0.515
  104   1HH2  ARG  11          1HH2      ARG  11  -8.757   8.225   3.319
  105   2HH2  ARG  11          2HH2      ARG  11 -10.019   8.986   2.408
  106    HA   PRO  12           HA       PRO  12   0.173   8.977   4.227
  107   1HB   PRO  12          2HB       PRO  12  -0.490   7.900   6.649
  108   2HB   PRO  12          1HB       PRO  12   0.136   9.550   6.462
  109   1HG   PRO  12          2HG       PRO  12  -2.646   8.623   6.902
  110   2HG   PRO  12          1HG       PRO  12  -1.824  10.070   7.496
  111   1HD   PRO  12          2HD       PRO  12  -3.594  10.042   5.393
  112   2HD   PRO  12          1HD       PRO  12  -2.347  11.282   5.646
  113    HA   PRO  13           HA       PRO  13  -1.991   5.258   2.830
  114   1HB   PRO  13          2HB       PRO  13   0.108   4.158   1.469
  115   2HB   PRO  13          1HB       PRO  13  -0.901   5.454   0.803
  116   1HG   PRO  13          2HG       PRO  13   1.840   5.569   1.878
  117   2HG   PRO  13          1HG       PRO  13   1.051   6.594   0.673
  118   1HD   PRO  13          2HD       PRO  13   1.503   7.225   3.377
  119   2HD   PRO  13          1HD       PRO  13   0.481   8.123   2.239
  120    H    SER  14           H        SER  14  -1.633   2.887   3.223
  121    HA   SER  14           HA       SER  14   0.575   2.037   4.948
  122   1HB   SER  14          2HB       SER  14  -0.918   3.386   6.436
  123   2HB   SER  14          1HB       SER  14  -2.236   2.277   6.068
  124    HG   SER  14           HG       SER  14  -1.091   1.752   8.010
  125    H    ALA  15           H        ALA  15   0.109   0.775   2.675
  126    HA   ALA  15           HA       ALA  15  -0.330  -1.320   1.736
  127   1HB   ALA  15          1HB       ALA  15   0.155  -2.875   3.301
  128   2HB   ALA  15          2HB       ALA  15  -1.464  -2.710   3.977
  129   3HB   ALA  15          3HB       ALA  15  -0.150  -1.694   4.572
  130    H    PHE  16           H        PHE  16  -2.917  -1.380   4.213
  131    HA   PHE  16           HA       PHE  16  -5.027  -2.223   2.616
  132   1HB   PHE  16          2HB       PHE  16  -4.804  -1.698   5.143
  133   2HB   PHE  16          1HB       PHE  16  -5.326  -0.070   4.707
  134    HD1  PHE  16           1HD      PHE  16  -7.448   0.026   3.106
  135    HD2  PHE  16           2HD      PHE  16  -6.441  -3.282   5.654
  136    HE1  PHE  16           1HE      PHE  16  -9.805  -0.742   3.041
  137    HE2  PHE  16           2HE      PHE  16  -8.797  -4.051   5.588
  138    HZ   PHE  16           HZ       PHE  16 -10.480  -2.781   4.282
  139    H    PHE  17           H        PHE  17  -4.179   1.203   3.250
  140    HA   PHE  17           HA       PHE  17  -6.178   2.408   1.621
  141   1HB   PHE  17          2HB       PHE  17  -3.595   3.102   2.876
  142   2HB   PHE  17          1HB       PHE  17  -3.997   4.091   1.472
  143    HD1  PHE  17           1HD      PHE  17  -4.588   3.545   4.959
  144    HD2  PHE  17           2HD      PHE  17  -6.378   5.109   1.382
  145    HE1  PHE  17           1HE      PHE  17  -6.198   4.840   6.331
  146    HE2  PHE  17           2HE      PHE  17  -7.989   6.404   2.753
  147    HZ   PHE  17           HZ       PHE  17  -7.899   6.269   5.228
  148    H    LEU  18           H        LEU  18  -2.947   1.172   0.804
  149    HA   LEU  18           HA       LEU  18  -2.867   2.143  -1.902
  150   1HB   LEU  18          2HB       LEU  18  -1.552  -0.319  -0.701
  151   2HB   LEU  18          1HB       LEU  18  -0.998   0.582  -2.106
  152    HG   LEU  18           HG       LEU  18  -1.073   1.579   0.764
  153   1HD1  LEU  18          1HD1      LEU  18   1.448   1.824   0.156
  154   2HD1  LEU  18          2HD1      LEU  18   1.081   0.678  -1.134
  155   3HD1  LEU  18          3HD1      LEU  18   0.825   0.223   0.552
  156   1HD2  LEU  18          1HD2      LEU  18   0.257   3.514  -0.416
  157   2HD2  LEU  18          2HD2      LEU  18  -1.506   3.529  -0.478
  158   3HD2  LEU  18          3HD2      LEU  18  -0.579   2.963  -1.868
  159    H    PHE  19           H        PHE  19  -3.981  -0.906  -0.446
  160    HA   PHE  19           HA       PHE  19  -4.555  -2.236  -2.958
  161   1HB   PHE  19          2HB       PHE  19  -4.087  -3.288  -0.722
  162   2HB   PHE  19          1HB       PHE  19  -5.660  -2.715  -0.173
  163    HD1  PHE  19           1HD      PHE  19  -7.749  -3.521  -1.320
  164    HD2  PHE  19           2HD      PHE  19  -3.885  -5.217  -2.114
  165    HE1  PHE  19           1HE      PHE  19  -8.830  -5.511  -2.332
  166    HE2  PHE  19           2HE      PHE  19  -4.965  -7.207  -3.126
  167    HZ   PHE  19           HZ       PHE  19  -7.438  -7.353  -3.234
  168    H    CYS  20           H        CYS  20  -6.702  -0.783  -0.478
  169    HA   CYS  20           HA       CYS  20  -9.165  -1.126  -1.844
  170   1HB   CYS  20          2HB       CYS  20  -8.711  -0.406   0.546
  171   2HB   CYS  20          1HB       CYS  20  -8.356   1.204  -0.081
  172    HG   CYS  20           HG       CYS  20 -10.828   1.469   0.236
  173    H    SER  21           H        SER  21  -7.022   1.745  -1.831
  174    HA   SER  21           HA       SER  21  -8.533   3.342  -3.641
  175   1HB   SER  21          2HB       SER  21  -6.412   4.576  -3.856
  176   2HB   SER  21          1HB       SER  21  -6.669   4.092  -2.182
  177    HG   SER  21           HG       SER  21  -4.531   3.667  -3.332
  178    H    GLU  22           H        GLU  22  -6.317   0.669  -4.239
  179    HA   GLU  22           HA       GLU  22  -6.211   1.257  -7.142
  180   1HB   GLU  22          2HB       GLU  22  -4.836  -0.522  -5.182
  181   2HB   GLU  22          1HB       GLU  22  -4.772  -0.949  -6.889
  182   1HG   GLU  22          2HG       GLU  22  -4.001   1.764  -5.774
  183   2HG   GLU  22          1HG       GLU  22  -2.850   0.485  -6.163
  184    H    TYR  23           H        TYR  23  -7.846  -0.903  -4.909
  185    HA   TYR  23           HA       TYR  23  -8.679  -2.744  -7.073
  186   1HB   TYR  23          2HB       TYR  23  -8.722  -2.619  -4.097
  187   2HB   TYR  23          1HB       TYR  23  -9.983  -3.581  -4.866
  188    HD1  TYR  23           1HD      TYR  23  -9.518  -5.774  -5.548
  189    HD2  TYR  23           2HD      TYR  23  -6.280  -3.013  -4.963
  190    HE1  TYR  23           1HE      TYR  23  -7.888  -7.600  -5.950
  191    HE2  TYR  23           2HE      TYR  23  -4.651  -4.839  -5.364
  192    HH   TYR  23           HH       TYR  23  -4.550  -7.266  -5.265
  193    H    ARG  24           H        ARG  24 -10.083  -0.201  -5.030
  194    HA   ARG  24           HA       ARG  24 -12.816  -0.549  -5.390
  195   1HB   ARG  24          2HB       ARG  24 -11.023   1.859  -5.250
  196   2HB   ARG  24          1HB       ARG  24 -12.770   2.042  -5.417
  197   1HG   ARG  24          2HG       ARG  24 -13.177   0.813  -3.387
  198   2HG   ARG  24          1HG       ARG  24 -11.478   0.355  -3.263
  199   1HD   ARG  24          2HD       ARG  24 -10.884   2.364  -2.351
  200   2HD   ARG  24          1HD       ARG  24 -11.957   3.274  -3.433
  201    HE   ARG  24           HE       ARG  24 -13.765   1.987  -1.861
  202   1HH1  ARG  24          1HH1      ARG  24 -12.029   4.757  -1.567
  203   2HH1  ARG  24          2HH1      ARG  24 -12.059   4.843   0.163
  204   1HH2  ARG  24          1HH2      ARG  24 -13.316   1.637   0.566
  205   2HH2  ARG  24          2HH2      ARG  24 -12.787   3.078   1.371
  206    HA   PRO  25           HA       PRO  25 -12.691   1.916  -9.588
  207   1HB   PRO  25          2HB       PRO  25 -10.306   1.782 -10.955
  208   2HB   PRO  25          1HB       PRO  25 -10.763   3.137  -9.899
  209   1HG   PRO  25          2HG       PRO  25  -9.062   0.755  -9.279
  210   2HG   PRO  25          1HG       PRO  25  -8.770   2.467  -8.916
  211   1HD   PRO  25          2HD       PRO  25  -9.673   0.849  -7.033
  212   2HD   PRO  25          1HD       PRO  25 -10.324   2.496  -7.169
  213    H    LYS  26           H        LYS  26 -10.815  -0.994  -9.007
  214    HA   LYS  26           HA       LYS  26 -11.331  -2.314 -11.537
  215   1HB   LYS  26          2HB       LYS  26  -9.624  -2.817  -9.649
  216   2HB   LYS  26          1HB       LYS  26 -10.976  -3.603  -8.828
  217   1HG   LYS  26          2HG       LYS  26 -10.352  -4.301 -11.686
  218   2HG   LYS  26          1HG       LYS  26  -9.423  -5.038 -10.380
  219   1HD   LYS  26          2HD       LYS  26 -11.684  -5.632  -9.319
  220   2HD   LYS  26          1HD       LYS  26 -12.399  -5.214 -10.877
  221   1HE   LYS  26          2HE       LYS  26 -12.013  -7.517 -11.140
  222   2HE   LYS  26          1HE       LYS  26 -10.521  -6.838 -11.819
  223   1HZ   LYS  26          1HZ       LYS  26 -10.911  -7.648  -8.984
  224   2HZ   LYS  26          2HZ       LYS  26  -9.486  -7.000  -9.646
  225   3HZ   LYS  26          3HZ       LYS  26 -10.038  -8.529 -10.141
  226    H    ILE  27           H        ILE  27 -12.862  -2.357  -8.336
  227    HA   ILE  27           HA       ILE  27 -14.935  -4.244  -8.812
  228    HB   ILE  27           HB       ILE  27 -14.905  -1.731  -7.093
  229   1HG1  ILE  27          2HG1      ILE  27 -12.984  -3.165  -6.576
  230   2HG1  ILE  27          1HG1      ILE  27 -14.160  -3.253  -5.276
  231   1HG2  ILE  27          1HG2      ILE  27 -17.149  -2.598  -7.245
  232   2HG2  ILE  27          2HG2      ILE  27 -16.501  -3.053  -5.668
  233   3HG2  ILE  27          3HG2      ILE  27 -16.586  -4.246  -6.964
  234   1HD1  ILE  27          1HD1      ILE  27 -13.498  -5.497  -5.692
  235   2HD1  ILE  27          2HD1      ILE  27 -13.632  -5.291  -7.438
  236   3HD1  ILE  27          3HD1      ILE  27 -15.086  -5.326  -6.440
  237    H    LYS  28           H        LYS  28 -14.669  -0.817  -9.598
  238    HA   LYS  28           HA       LYS  28 -17.474  -0.416 -10.165
  239   1HB   LYS  28          2HB       LYS  28 -15.268   1.232 -11.395
  240   2HB   LYS  28          1HB       LYS  28 -16.830   1.758 -10.789
  241   1HG   LYS  28          2HG       LYS  28 -14.322   1.126  -9.275
  242   2HG   LYS  28          1HG       LYS  28 -15.296   2.576  -9.202
  243   1HD   LYS  28          2HD       LYS  28 -15.955  -0.136  -8.000
  244   2HD   LYS  28          1HD       LYS  28 -15.592   1.353  -7.141
  245   1HE   LYS  28          2HE       LYS  28 -17.940   1.170  -9.052
  246   2HE   LYS  28          1HE       LYS  28 -18.085   0.771  -7.330
  247   1HZ   LYS  28          1HZ       LYS  28 -17.057   3.320  -8.461
  248   2HZ   LYS  28          2HZ       LYS  28 -17.077   2.928  -6.808
  249   3HZ   LYS  28          3HZ       LYS  28 -18.536   3.108  -7.659
  250    H    SER  29           H        SER  29 -14.671  -1.241 -12.197
  251    HA   SER  29           HA       SER  29 -15.852  -0.953 -14.759
  252   1HB   SER  29          2HB       SER  29 -13.449  -1.417 -14.164
  253   2HB   SER  29          1HB       SER  29 -13.906  -3.084 -13.822
  254    HG   SER  29           HG       SER  29 -13.974  -3.458 -15.889
  255    H    GLU  30           H        GLU  30 -16.302  -3.447 -12.331
  256    HA   GLU  30           HA       GLU  30 -18.006  -5.005 -14.250
  257   1HB   GLU  30          2HB       GLU  30 -15.979  -5.650 -12.225
  258   2HB   GLU  30          1HB       GLU  30 -17.453  -6.595 -12.032
  259   1HG   GLU  30          2HG       GLU  30 -16.123  -6.280 -14.724
  260   2HG   GLU  30          1HG       GLU  30 -15.645  -7.553 -13.601
  261    H    HIS  31           H        HIS  31 -17.935  -3.285 -11.216
  262    HA   HIS  31           HA       HIS  31 -20.800  -4.056 -10.740
  263   1HB   HIS  31          2HB       HIS  31 -18.777  -3.189  -8.649
  264   2HB   HIS  31          1HB       HIS  31 -20.359  -3.902  -8.372
  265    HD1  HIS  31           1HD      HIS  31 -16.833  -4.765  -9.165
  266    HD2  HIS  31           2HD      HIS  31 -20.497  -6.741  -8.942
  267    HE1  HIS  31           1HE      HIS  31 -16.310  -7.241  -9.168
  268    HA   PRO  32           HA       PRO  32 -20.761   0.450 -11.480
  269   1HB   PRO  32          2HB       PRO  32 -23.284   0.579 -12.530
  270   2HB   PRO  32          1HB       PRO  32 -21.856   0.159 -13.492
  271   1HG   PRO  32          2HG       PRO  32 -23.973  -1.596 -12.391
  272   2HG   PRO  32          1HG       PRO  32 -23.059  -1.734 -13.899
  273   1HD   PRO  32          2HD       PRO  32 -22.569  -3.207 -11.622
  274   2HD   PRO  32          1HD       PRO  32 -21.391  -2.920 -12.918
  275    H    GLY  33           H        GLY  33 -23.435  -1.502 -10.178
  276   1HA   GLY  33          2HA       GLY  33 -24.623   0.648  -8.660
  277   2HA   GLY  33          1HA       GLY  33 -24.947  -1.071  -8.440
  278    H    LEU  34           H        LEU  34 -21.876  -1.398  -8.134
  279    HA   LEU  34           HA       LEU  34 -21.722  -1.587  -5.318
  280   1HB   LEU  34          2HB       LEU  34 -20.048  -1.902  -7.646
  281   2HB   LEU  34          1HB       LEU  34 -19.124  -1.089  -6.393
  282    HG   LEU  34           HG       LEU  34 -18.947  -3.584  -6.295
  283   1HD1  LEU  34          1HD1      LEU  34 -19.938  -1.866  -4.080
  284   2HD1  LEU  34          2HD1      LEU  34 -18.421  -2.751  -4.232
  285   3HD1  LEU  34          3HD1      LEU  34 -19.897  -3.603  -3.783
  286   1HD2  LEU  34          1HD2      LEU  34 -21.613  -3.616  -6.845
  287   2HD2  LEU  34          2HD2      LEU  34 -21.653  -3.814  -5.093
  288   3HD2  LEU  34          3HD2      LEU  34 -20.762  -4.964  -6.091
  289    H    SER  35           H        SER  35 -22.592   0.488  -4.523
  290    HA   SER  35           HA       SER  35 -21.243   3.014  -5.035
  291   1HB   SER  35          2HB       SER  35 -23.118   2.076  -2.838
  292   2HB   SER  35          1HB       SER  35 -22.703   3.758  -3.154
  293    HG   SER  35           HG       SER  35 -24.683   2.970  -4.163
  294    H    ILE  36           H        ILE  36 -20.354   4.260  -2.997
  295    HA   ILE  36           HA       ILE  36 -17.949   3.080  -2.092
  296    HB   ILE  36           HB       ILE  36 -19.700   5.240  -0.866
  297   1HG1  ILE  36          2HG1      ILE  36 -18.997   5.693  -3.191
  298   2HG1  ILE  36          1HG1      ILE  36 -18.178   6.776  -2.069
  299   1HG2  ILE  36          1HG2      ILE  36 -17.466   6.020   0.100
  300   2HG2  ILE  36          2HG2      ILE  36 -16.834   4.429  -0.322
  301   3HG2  ILE  36          3HG2      ILE  36 -18.156   4.571   0.836
  302   1HD1  ILE  36          1HD1      ILE  36 -16.230   5.147  -2.080
  303   2HD1  ILE  36          2HD1      ILE  36 -16.511   5.979  -3.610
  304   3HD1  ILE  36          3HD1      ILE  36 -17.037   4.308  -3.406
  305    H    GLY  37           H        GLY  37 -21.192   2.971  -0.676
  306   1HA   GLY  37          2HA       GLY  37 -20.540   1.966   1.898
  307   2HA   GLY  37          1HA       GLY  37 -22.063   1.653   1.063
  308    H    ASP  38           H        ASP  38 -21.738   0.018  -0.858
  309    HA   ASP  38           HA       ASP  38 -20.844  -2.489   0.270
  310   1HB   ASP  38          2HB       ASP  38 -22.017  -1.437  -2.253
  311   2HB   ASP  38          1HB       ASP  38 -21.170  -2.979  -2.379
  312    H    THR  39           H        THR  39 -19.428  -0.198  -2.037
  313    HA   THR  39           HA       THR  39 -17.239  -1.822  -2.936
  314    HB   THR  39           HB       THR  39 -17.516   1.187  -2.616
  315    HG1  THR  39           1HG      THR  39 -18.279   1.097  -4.689
  316   1HG2  THR  39          1HG2      THR  39 -15.192   0.676  -2.952
  317   2HG2  THR  39          2HG2      THR  39 -15.830   1.192  -4.513
  318   3HG2  THR  39          3HG2      THR  39 -15.573  -0.523  -4.188
  319    H    ALA  40           H        ALA  40 -17.717   0.139  -0.048
  320    HA   ALA  40           HA       ALA  40 -14.925   0.088   0.793
  321   1HB   ALA  40          1HB       ALA  40 -17.536   0.650   2.240
  322   2HB   ALA  40          2HB       ALA  40 -16.502   1.846   1.458
  323   3HB   ALA  40          3HB       ALA  40 -15.935   0.992   2.893
  324    H    LYS  41           H        LYS  41 -17.871  -1.710   1.720
  325    HA   LYS  41           HA       LYS  41 -16.348  -3.438   3.540
  326   1HB   LYS  41          2HB       LYS  41 -18.548  -4.349   4.064
  327   2HB   LYS  41          1HB       LYS  41 -18.633  -2.591   4.021
  328   1HG   LYS  41          2HG       LYS  41 -19.392  -2.840   1.586
  329   2HG   LYS  41          1HG       LYS  41 -19.596  -4.553   1.933
  330   1HD   LYS  41          2HD       LYS  41 -21.731  -3.499   2.296
  331   2HD   LYS  41          1HD       LYS  41 -21.066  -3.893   3.880
  332   1HE   LYS  41          2HE       LYS  41 -20.046  -1.347   3.412
  333   2HE   LYS  41          1HE       LYS  41 -21.687  -1.262   2.739
  334   1HZ   LYS  41          1HZ       LYS  41 -20.966  -2.321   5.422
  335   2HZ   LYS  41          2HZ       LYS  41 -22.534  -2.275   4.766
  336   3HZ   LYS  41          3HZ       LYS  41 -21.715  -0.829   5.120
  337    H    LYS  42           H        LYS  42 -17.157  -3.542   0.162
  338    HA   LYS  42           HA       LYS  42 -17.129  -6.489   0.006
  339   1HB   LYS  42          2HB       LYS  42 -18.546  -4.945  -1.405
  340   2HB   LYS  42          1HB       LYS  42 -17.064  -4.358  -2.156
  341   1HG   LYS  42          2HG       LYS  42 -18.160  -6.104  -3.524
  342   2HG   LYS  42          1HG       LYS  42 -16.565  -6.617  -2.982
  343   1HD   LYS  42          2HD       LYS  42 -17.418  -8.351  -1.804
  344   2HD   LYS  42          1HD       LYS  42 -18.643  -7.331  -1.053
  345   1HE   LYS  42          2HE       LYS  42 -20.226  -8.215  -2.408
  346   2HE   LYS  42          1HE       LYS  42 -19.316  -7.696  -3.840
  347   1HZ   LYS  42          1HZ       LYS  42 -18.750 -10.133  -2.232
  348   2HZ   LYS  42          2HZ       LYS  42 -17.896  -9.630  -3.612
  349   3HZ   LYS  42          3HZ       LYS  42 -19.519 -10.118  -3.744
  350    H    LEU  43           H        LEU  43 -14.719  -4.347   0.600
  351    HA   LEU  43           HA       LEU  43 -12.753  -5.561  -1.289
  352   1HB   LEU  43          2HB       LEU  43 -13.004  -3.037   0.313
  353   2HB   LEU  43          1HB       LEU  43 -11.386  -3.613  -0.095
  354    HG   LEU  43           HG       LEU  43 -13.573  -3.310  -2.163
  355   1HD1  LEU  43          1HD1      LEU  43 -11.347  -1.332  -1.937
  356   2HD1  LEU  43          2HD1      LEU  43 -12.693  -1.176  -0.808
  357   3HD1  LEU  43          3HD1      LEU  43 -12.988  -1.112  -2.545
  358   1HD2  LEU  43          1HD2      LEU  43 -10.560  -3.634  -2.248
  359   2HD2  LEU  43          2HD2      LEU  43 -11.526  -3.199  -3.657
  360   3HD2  LEU  43          3HD2      LEU  43 -11.773  -4.755  -2.864
  361    H    GLY  44           H        GLY  44 -13.619  -5.235   2.109
  362   1HA   GLY  44          2HA       GLY  44 -11.178  -6.265   3.228
  363   2HA   GLY  44          1HA       GLY  44 -12.742  -6.237   4.043
  364    H    GLU  45           H        GLU  45 -14.035  -7.773   1.846
  365    HA   GLU  45           HA       GLU  45 -13.912 -10.395   2.851
  366   1HB   GLU  45          2HB       GLU  45 -15.523  -9.237   1.194
  367   2HB   GLU  45          1HB       GLU  45 -14.379  -9.722  -0.058
  368   1HG   GLU  45          2HG       GLU  45 -14.566 -12.092   0.881
  369   2HG   GLU  45          1HG       GLU  45 -15.948 -11.508   1.809
  370    H    MET  46           H        MET  46 -12.071  -9.011   0.117
  371    HA   MET  46           HA       MET  46 -10.544 -11.507  -0.264
  372   1HB   MET  46          2HB       MET  46 -10.632  -8.755  -1.514
  373   2HB   MET  46          1HB       MET  46  -9.407  -9.936  -1.977
  374   1HG   MET  46          2HG       MET  46 -11.206 -11.556  -2.533
  375   2HG   MET  46          1HG       MET  46 -12.409 -10.329  -2.135
  376   1HE   MET  46          1HE       MET  46 -12.612 -11.595  -5.022
  377   2HE   MET  46          2HE       MET  46 -10.979 -12.141  -4.644
  378   3HE   MET  46          3HE       MET  46 -11.272 -11.214  -6.113
  379    H    TRP  47           H        TRP  47  -9.964  -8.182   0.877
  380    HA   TRP  47           HA       TRP  47  -7.178  -8.282   1.319
  381   1HB   TRP  47          2HB       TRP  47  -8.689  -6.301   1.488
  382   2HB   TRP  47          1HB       TRP  47  -9.310  -6.940   3.010
  383    HD1  TRP  47           HD       TRP  47  -8.078  -6.210   5.110
  384    HE1  TRP  47           1HE      TRP  47  -5.781  -5.162   5.630
  385    HE3  TRP  47           3HE      TRP  47  -6.010  -6.255   0.440
  386    HZ2  TRP  47           2HZ      TRP  47  -3.384  -4.437   4.248
  387    HZ3  TRP  47           3HZ      TRP  47  -3.721  -5.380   0.070
  388    HH2  TRP  47           HH       TRP  47  -2.406  -4.473   1.966
  389    H    SER  48           H        SER  48  -9.751  -9.856   3.118
  390    HA   SER  48           HA       SER  48  -7.964 -10.440   5.415
  391   1HB   SER  48          2HB       SER  48 -10.324  -9.743   5.731
  392   2HB   SER  48          1HB       SER  48 -10.855 -11.139   4.796
  393    HG   SER  48           HG       SER  48 -10.275 -12.453   6.404
  394    H    GLU  49           H        GLU  49  -9.508 -12.020   2.652
  395    HA   GLU  49           HA       GLU  49  -9.002 -14.749   3.365
  396   1HB   GLU  49          2HB       GLU  49  -9.355 -13.216   0.783
  397   2HB   GLU  49          1HB       GLU  49  -9.098 -14.960   0.780
  398   1HG   GLU  49          2HG       GLU  49 -11.224 -13.723   2.520
  399   2HG   GLU  49          1HG       GLU  49 -11.546 -14.090   0.826
  400    H    GLN  50           H        GLN  50  -7.028 -12.300   1.725
  401    HA   GLN  50           HA       GLN  50  -4.860 -13.990   0.903
  402   1HB   GLN  50          2HB       GLN  50  -5.088 -11.058   1.644
  403   2HB   GLN  50          1HB       GLN  50  -3.633 -11.761   0.938
  404   1HG   GLN  50          2HG       GLN  50  -6.369 -11.988  -0.340
  405   2HG   GLN  50          1HG       GLN  50  -5.223 -10.706  -0.734
  406   1HE2  GLN  50          1HE2      GLN  50  -3.480 -11.222  -2.137
  407   2HE2  GLN  50          2HE2      GLN  50  -3.219 -12.774  -2.774
  408    H    SER  51           H        SER  51  -2.767 -14.226   1.927
  409    HA   SER  51           HA       SER  51  -2.916 -14.201   4.911
  410   1HB   SER  51          2HB       SER  51  -1.031 -15.656   3.029
  411   2HB   SER  51          1HB       SER  51  -1.250 -15.971   4.749
  412    HG   SER  51           HG       SER  51  -3.195 -16.841   4.353
  413    H    ALA  52           H        ALA  52   0.015 -14.446   5.119
  414    HA   ALA  52           HA       ALA  52   0.691 -11.583   4.976
  415   1HB   ALA  52          1HB       ALA  52   1.205 -13.106   6.904
  416   2HB   ALA  52          2HB       ALA  52   2.642 -12.317   6.255
  417   3HB   ALA  52          3HB       ALA  52   2.304 -14.002   5.855
  418    H    LYS  53           H        LYS  53   0.344 -12.342   2.381
  419    HA   LYS  53           HA       LYS  53   3.142 -12.616   1.335
  420   1HB   LYS  53          2HB       LYS  53   0.540 -13.917   0.509
  421   2HB   LYS  53          1HB       LYS  53   1.927 -13.847  -0.580
  422   1HG   LYS  53          2HG       LYS  53   3.308 -15.054   1.009
  423   2HG   LYS  53          1HG       LYS  53   2.027 -15.003   2.220
  424   1HD   LYS  53          2HD       LYS  53   0.567 -16.310   0.668
  425   2HD   LYS  53          1HD       LYS  53   1.930 -16.448  -0.443
  426   1HE   LYS  53          2HE       LYS  53   2.264 -17.292   2.431
  427   2HE   LYS  53          1HE       LYS  53   1.522 -18.397   1.257
  428   1HZ   LYS  53          1HZ       LYS  53   4.130 -17.010   0.922
  429   2HZ   LYS  53          2HZ       LYS  53   3.405 -18.038  -0.219
  430   3HZ   LYS  53          3HZ       LYS  53   3.929 -18.656   1.274
  431    H    ASP  54           H        ASP  54  -0.197 -11.672   0.405
  432    HA   ASP  54           HA       ASP  54   0.699  -9.933  -1.746
  433   1HB   ASP  54          2HB       ASP  54  -1.510 -11.201  -1.442
  434   2HB   ASP  54          1HB       ASP  54  -1.969  -9.916  -0.325
  435    H    LYS  55           H        LYS  55   0.141  -9.456   1.694
  436    HA   LYS  55           HA       LYS  55  -0.015  -6.518   1.421
  437   1HB   LYS  55          2HB       LYS  55  -0.101  -8.529   3.676
  438   2HB   LYS  55          1HB       LYS  55  -0.086  -6.793   3.982
  439   1HG   LYS  55          2HG       LYS  55  -2.348  -6.968   3.803
  440   2HG   LYS  55          1HG       LYS  55  -2.034  -6.967   2.068
  441   1HD   LYS  55          2HD       LYS  55  -3.401  -8.873   2.421
  442   2HD   LYS  55          1HD       LYS  55  -1.764  -9.520   2.294
  443   1HE   LYS  55          2HE       LYS  55  -1.585  -9.833   4.648
  444   2HE   LYS  55          1HE       LYS  55  -2.994  -8.802   4.968
  445   1HZ   LYS  55          1HZ       LYS  55  -2.992 -11.404   3.532
  446   2HZ   LYS  55          2HZ       LYS  55  -4.341 -10.379   3.660
  447   3HZ   LYS  55          3HZ       LYS  55  -3.677 -11.092   5.053
  448    H    GLN  56           H        GLN  56   2.261  -8.960   2.677
  449    HA   GLN  56           HA       GLN  56   4.205  -7.488   3.954
  450   1HB   GLN  56          2HB       GLN  56   4.169  -9.871   2.169
  451   2HB   GLN  56          1HB       GLN  56   5.751  -9.205   2.574
  452   1HG   GLN  56          2HG       GLN  56   3.668  -9.758   4.691
  453   2HG   GLN  56          1HG       GLN  56   4.814 -10.992   4.167
  454   1HE2  GLN  56          1HE2      GLN  56   7.228 -10.058   4.115
  455   2HE2  GLN  56          2HE2      GLN  56   7.669  -9.144   5.475
  456    HA   PRO  57           HA       PRO  57   6.483  -6.219  -0.055
  457   1HB   PRO  57          2HB       PRO  57   5.237  -6.589  -2.461
  458   2HB   PRO  57          1HB       PRO  57   6.298  -7.808  -1.726
  459   1HG   PRO  57          2HG       PRO  57   3.328  -7.652  -1.748
  460   2HG   PRO  57          1HG       PRO  57   4.381  -9.061  -1.948
  461   1HD   PRO  57          2HD       PRO  57   3.107  -8.496   0.373
  462   2HD   PRO  57          1HD       PRO  57   4.678  -9.324   0.315
  463    H    TYR  58           H        TYR  58   2.949  -5.982  -0.225
  464    HA   TYR  58           HA       TYR  58   2.924  -3.311  -1.388
  465   1HB   TYR  58          2HB       TYR  58   1.158  -5.424  -0.984
  466   2HB   TYR  58          1HB       TYR  58   0.557  -4.189   0.119
  467    HD1  TYR  58           1HD      TYR  58  -0.891  -2.561  -0.726
  468    HD2  TYR  58           2HD      TYR  58   1.843  -4.529  -3.391
  469    HE1  TYR  58           1HE      TYR  58  -1.882  -1.344  -2.646
  470    HE2  TYR  58           2HE      TYR  58   0.850  -3.312  -5.310
  471    HH   TYR  58           HH       TYR  58  -1.591  -2.209  -5.720
  472    H    GLU  59           H        GLU  59   3.587  -4.462   1.768
  473    HA   GLU  59           HA       GLU  59   2.425  -2.266   3.297
  474   1HB   GLU  59          2HB       GLU  59   4.331  -4.547   3.745
  475   2HB   GLU  59          1HB       GLU  59   4.209  -3.285   4.968
  476   1HG   GLU  59          2HG       GLU  59   1.719  -4.571   3.874
  477   2HG   GLU  59          1HG       GLU  59   2.641  -5.368   5.145
  478    H    GLN  60           H        GLN  60   5.827  -3.161   2.587
  479    HA   GLN  60           HA       GLN  60   7.149  -0.898   3.530
  480   1HB   GLN  60          2HB       GLN  60   8.874  -1.504   1.834
  481   2HB   GLN  60          1HB       GLN  60   8.236  -2.915   2.672
  482   1HG   GLN  60          2HG       GLN  60   6.844  -3.501   0.813
  483   2HG   GLN  60          1HG       GLN  60   7.146  -1.957   0.017
  484   1HE2  GLN  60          1HE2      GLN  60   9.021  -4.784   1.264
  485   2HE2  GLN  60          2HE2      GLN  60  10.154  -4.769   0.000
  486    H    LYS  61           H        LYS  61   5.230  -1.149   0.576
  487    HA   LYS  61           HA       LYS  61   6.174   1.127  -0.845
  488   1HB   LYS  61          2HB       LYS  61   4.601  -0.598  -1.690
  489   2HB   LYS  61          1HB       LYS  61   3.363  -0.001  -0.584
  490   1HG   LYS  61          2HG       LYS  61   3.213   2.090  -1.719
  491   2HG   LYS  61          1HG       LYS  61   4.692   1.786  -2.629
  492   1HD   LYS  61          2HD       LYS  61   3.357  -0.331  -3.485
  493   2HD   LYS  61          1HD       LYS  61   1.953   0.635  -3.026
  494   1HE   LYS  61          2HE       LYS  61   2.995   2.541  -4.396
  495   2HE   LYS  61          1HE       LYS  61   4.092   1.314  -5.060
  496   1HZ   LYS  61          1HZ       LYS  61   2.075   1.502  -6.398
  497   2HZ   LYS  61          2HZ       LYS  61   1.123   1.143  -5.038
  498   3HZ   LYS  61          3HZ       LYS  61   2.181  -0.026  -5.672
  499    H    ALA  62           H        ALA  62   3.429   0.930   1.455
  500    HA   ALA  62           HA       ALA  62   3.073   3.813   1.542
  501   1HB   ALA  62          1HB       ALA  62   1.157   2.553   2.027
  502   2HB   ALA  62          2HB       ALA  62   1.702   3.010   3.640
  503   3HB   ALA  62          3HB       ALA  62   2.054   1.399   3.016
  504    H    ALA  63           H        ALA  63   5.378   1.725   2.962
  505    HA   ALA  63           HA       ALA  63   5.757   3.259   5.437
  506   1HB   ALA  63          1HB       ALA  63   6.152   0.767   5.064
  507   2HB   ALA  63          2HB       ALA  63   7.487   1.631   5.826
  508   3HB   ALA  63          3HB       ALA  63   7.566   1.220   4.113
  509    H    LYS  64           H        LYS  64   6.443   3.930   2.209
  510    HA   LYS  64           HA       LYS  64   9.039   5.278   2.795
  511   1HB   LYS  64          2HB       LYS  64   7.530   4.340   0.351
  512   2HB   LYS  64          1HB       LYS  64   8.887   5.451   0.213
  513   1HG   LYS  64          2HG       LYS  64   9.046   2.805   1.671
  514   2HG   LYS  64          1HG       LYS  64   9.488   2.997  -0.026
  515   1HD   LYS  64          2HD       LYS  64  11.444   4.045   0.469
  516   2HD   LYS  64          1HD       LYS  64  10.718   4.995   1.766
  517   1HE   LYS  64          2HE       LYS  64  10.770   2.987   3.242
  518   2HE   LYS  64          1HE       LYS  64  11.579   2.084   1.946
  519   1HZ   LYS  64          1HZ       LYS  64  13.378   3.603   1.947
  520   2HZ   LYS  64          2HZ       LYS  64  13.112   3.190   3.574
  521   3HZ   LYS  64          3HZ       LYS  64  12.570   4.684   2.974
  522    H    LEU  65           H        LEU  65   5.694   5.764   1.899
  523    HA   LEU  65           HA       LEU  65   6.040   8.639   1.313
  524   1HB   LEU  65          2HB       LEU  65   3.858   6.575   1.229
  525   2HB   LEU  65          1HB       LEU  65   3.421   8.285   1.214
  526    HG   LEU  65           HG       LEU  65   5.289   8.419  -0.651
  527   1HD1  LEU  65          1HD1      LEU  65   4.974   6.212  -2.031
  528   2HD1  LEU  65          2HD1      LEU  65   4.563   5.505  -0.469
  529   3HD1  LEU  65          3HD1      LEU  65   6.147   6.241  -0.715
  530   1HD2  LEU  65          1HD2      LEU  65   2.759   8.800  -0.814
  531   2HD2  LEU  65          2HD2      LEU  65   2.643   7.119  -1.339
  532   3HD2  LEU  65          3HD2      LEU  65   3.561   8.281  -2.297
  533    H    LYS  66           H        LYS  66   5.564   6.666   4.081
  534    HA   LYS  66           HA       LYS  66   3.918   8.546   5.608
  535   1HB   LYS  66          2HB       LYS  66   3.911   6.080   5.938
  536   2HB   LYS  66          1HB       LYS  66   5.610   6.149   6.408
  537   1HG   LYS  66          2HG       LYS  66   4.713   6.293   8.510
  538   2HG   LYS  66          1HG       LYS  66   4.613   8.005   8.095
  539   1HD   LYS  66          2HD       LYS  66   2.435   7.516   8.837
  540   2HD   LYS  66          1HD       LYS  66   2.294   7.390   7.083
  541   1HE   LYS  66          2HE       LYS  66   2.373   4.995   7.151
  542   2HE   LYS  66          1HE       LYS  66   2.885   4.996   8.851
  543   1HZ   LYS  66          1HZ       LYS  66   0.812   6.106   9.432
  544   2HZ   LYS  66          2HZ       LYS  66   0.502   4.616   8.679
  545   3HZ   LYS  66          3HZ       LYS  66   0.312   6.064   7.811
  546    H    GLU  67           H        GLU  67   7.341   7.780   5.174
  547    HA   GLU  67           HA       GLU  67   8.353   9.333   7.391
  548   1HB   GLU  67          2HB       GLU  67   9.392   8.133   4.843
  549   2HB   GLU  67          1HB       GLU  67  10.423   9.261   5.724
  550   1HG   GLU  67          2HG       GLU  67   9.100   6.857   7.005
  551   2HG   GLU  67          1HG       GLU  67  10.747   6.842   6.373
  552    H    LYS  68           H        LYS  68   8.421  10.046   3.873
  553    HA   LYS  68           HA       LYS  68   9.179  12.769   4.061
  554   1HB   LYS  68          2HB       LYS  68   7.442  11.307   2.045
  555   2HB   LYS  68          1HB       LYS  68   8.205  12.873   1.762
  556   1HG   LYS  68          2HG       LYS  68   9.974  10.681   2.726
  557   2HG   LYS  68          1HG       LYS  68   9.381  10.551   1.069
  558   1HD   LYS  68          2HD       LYS  68  10.637  13.083   2.145
  559   2HD   LYS  68          1HD       LYS  68  11.583  11.815   1.366
  560   1HE   LYS  68          2HE       LYS  68  10.112  12.008  -0.653
  561   2HE   LYS  68          1HE       LYS  68   9.291  13.377   0.123
  562   1HZ   LYS  68          1HZ       LYS  68  11.133  14.130  -1.271
  563   2HZ   LYS  68          2HZ       LYS  68  12.216  13.177  -0.374
  564   3HZ   LYS  68          3HZ       LYS  68  11.420  14.485   0.362
  565    H    TYR  69           H        TYR  69   6.061  11.257   4.604
  566    HA   TYR  69           HA       TYR  69   4.451  13.665   4.318
  567   1HB   TYR  69          2HB       TYR  69   3.512  11.428   4.070
  568   2HB   TYR  69          1HB       TYR  69   4.056  10.978   5.682
  569    HD1  TYR  69           1HD      TYR  69   2.389  14.143   4.552
  570    HD2  TYR  69           2HD      TYR  69   2.077  10.549   6.884
  571    HE1  TYR  69           1HE      TYR  69   0.250  14.950   5.507
  572    HE2  TYR  69           2HE      TYR  69  -0.062  11.360   7.841
  573    HH   TYR  69           HH       TYR  69  -1.951  13.302   6.737
  574    H    GLU  70           H        GLU  70   5.130  11.743   7.236
  575    HA   GLU  70           HA       GLU  70   4.471  13.781   9.124
  576   1HB   GLU  70          2HB       GLU  70   6.268  11.343   9.253
  577   2HB   GLU  70          1HB       GLU  70   5.781  12.269  10.673
  578   1HG   GLU  70          2HG       GLU  70   3.394  11.866  10.077
  579   2HG   GLU  70          1HG       GLU  70   3.927  10.859   8.731
  580    H    LYS  71           H        LYS  71   7.321  13.425   7.163
  581    HA   LYS  71           HA       LYS  71   8.971  15.094   8.990
  582   1HB   LYS  71          2HB       LYS  71   9.633  12.935   7.673
  583   2HB   LYS  71          1HB       LYS  71   9.778  14.026   6.295
  584   1HG   LYS  71          2HG       LYS  71  11.367  15.422   7.538
  585   2HG   LYS  71          1HG       LYS  71  11.200  14.379   8.950
  586   1HD   LYS  71          2HD       LYS  71  12.032  13.244   6.285
  587   2HD   LYS  71          1HD       LYS  71  13.220  13.971   7.368
  588   1HE   LYS  71          2HE       LYS  71  11.298  11.902   8.428
  589   2HE   LYS  71          1HE       LYS  71  12.777  11.403   7.582
  590   1HZ   LYS  71          1HZ       LYS  71  13.185  11.699   9.956
  591   2HZ   LYS  71          2HZ       LYS  71  12.652  13.309   9.860
  592   3HZ   LYS  71          3HZ       LYS  71  14.063  12.828   9.045
  593    H    ASP  72           H        ASP  72   7.162  15.333   5.995
  594    HA   ASP  72           HA       ASP  72   8.379  18.001   5.412
  595   1HB   ASP  72          2HB       ASP  72   8.215  16.123   3.705
  596   2HB   ASP  72          1HB       ASP  72   6.465  16.349   3.745
  597    H    ILE  73           H        ILE  73   5.328  16.435   6.272
  598    HA   ILE  73           HA       ILE  73   3.576  18.634   5.717
  599    HB   ILE  73           HB       ILE  73   2.985  16.222   6.161
  600   1HG1  ILE  73          2HG1      ILE  73   0.969  16.827   7.632
  601   2HG1  ILE  73          1HG1      ILE  73   1.650  18.454   7.695
  602   1HG2  ILE  73          1HG2      ILE  73   3.148  16.911   9.092
  603   2HG2  ILE  73          2HG2      ILE  73   4.512  16.169   8.256
  604   3HG2  ILE  73          3HG2      ILE  73   2.966  15.325   8.343
  605   1HD1  ILE  73          1HD1      ILE  73  -0.013  18.197   5.855
  606   2HD1  ILE  73          2HD1      ILE  73   1.008  16.949   5.141
  607   3HD1  ILE  73          3HD1      ILE  73   1.594  18.608   5.256
  608    H    ALA  74           H        ALA  74   5.754  17.976   8.392
  609    HA   ALA  74           HA       ALA  74   4.627  19.808  10.315
  610   1HB   ALA  74          1HB       ALA  74   6.972  19.616  11.270
  611   2HB   ALA  74          2HB       ALA  74   7.405  18.681   9.839
  612   3HB   ALA  74          3HB       ALA  74   6.187  18.068  10.957
  613    H    ALA  75           H        ALA  75   7.482  20.150   8.174
  614    HA   ALA  75           HA       ALA  75   7.838  22.969   8.648
  615   1HB   ALA  75          1HB       ALA  75   8.663  21.101   6.401
  616   2HB   ALA  75          2HB       ALA  75   9.619  21.535   7.819
  617   3HB   ALA  75          3HB       ALA  75   9.276  22.746   6.583
  618    H    TYR  76           H        TYR  76   5.748  21.141   6.516
  619    HA   TYR  76           HA       TYR  76   5.186  23.198   4.575
  620   1HB   TYR  76          2HB       TYR  76   4.747  20.737   4.365
  621   2HB   TYR  76          1HB       TYR  76   3.463  20.898   5.563
  622    HD1  TYR  76           1HD      TYR  76   1.421  22.202   5.057
  623    HD2  TYR  76           2HD      TYR  76   4.477  21.564   2.107
  624    HE1  TYR  76           1HE      TYR  76  -0.152  22.911   3.274
  625    HE2  TYR  76           2HE      TYR  76   2.905  22.272   0.325
  626    HH   TYR  76           HH       TYR  76   0.834  23.707   0.167
  627    H    ARG  77           H        ARG  77   3.678  22.274   7.664
  628    HA   ARG  77           HA       ARG  77   1.733  24.512   7.445
  629   1HB   ARG  77          2HB       ARG  77   2.107  22.036   9.094
  630   2HB   ARG  77          1HB       ARG  77   1.092  23.331   9.729
  631   1HG   ARG  77          2HG       ARG  77  -0.282  23.284   7.699
  632   2HG   ARG  77          1HG       ARG  77   0.753  22.032   7.010
  633   1HD   ARG  77          2HD       ARG  77  -0.112  20.378   8.374
  634   2HD   ARG  77          1HD       ARG  77  -0.431  21.504   9.708
  635    HE   ARG  77           HE       ARG  77  -2.299  22.433   8.247
  636   1HH1  ARG  77          1HH2      ARG  77  -1.786  20.919   5.767
  637   2HH1  ARG  77          2HH2      ARG  77  -2.873  19.576   5.898
  638   1HH2  ARG  77          1HH1      ARG  77  -3.383  19.983   9.304
  639   2HH2  ARG  77          2HH1      ARG  77  -3.776  19.047   7.901
  640    H    ALA  78           H        ALA  78   4.868  24.477   8.280
  641    HA   ALA  78           HA       ALA  78   6.221  25.723   9.757
  642   1HB   ALA  78          1HB       ALA  78   3.759  27.435  10.111
  643   2HB   ALA  78          2HB       ALA  78   4.621  27.382   8.572
  644   3HB   ALA  78          3HB       ALA  78   5.445  27.946  10.026
  645    H    LYS  79           H        LYS  79   6.216  24.011  11.409
  646    HA   LYS  79           HA       LYS  79   4.234  24.160  13.584
  647   1HB   LYS  79          2HB       LYS  79   6.674  22.486  13.012
  648   2HB   LYS  79          1HB       LYS  79   5.661  22.255  14.434
  649   1HG   LYS  79          2HG       LYS  79   4.515  22.252  11.639
  650   2HG   LYS  79          1HG       LYS  79   5.134  20.783  12.394
  651   1HD   LYS  79          2HD       LYS  79   3.038  22.562  13.666
  652   2HD   LYS  79          1HD       LYS  79   2.654  21.136  12.703
  653   1HE   LYS  79          2HE       LYS  79   4.304  19.901  14.328
  654   2HE   LYS  79          1HE       LYS  79   3.996  21.286  15.395
  655   1HZ   LYS  79          1HZ       LYS  79   1.642  20.935  15.177
  656   2HZ   LYS  79          2HZ       LYS  79   2.359  19.484  15.693
  657   3HZ   LYS  79          3HZ       LYS  79   1.881  19.670  14.074
  Start of MODEL    5
    1   1H    MET   1          1HT       MET   1  -9.285  14.758  -2.931
    2   2H    MET   1          2HT       MET   1 -10.584  14.563  -4.009
    3   3H    MET   1          3HT       MET   1  -9.019  14.858  -4.603
    4    HA   MET   1           HA       MET   1  -9.898  12.407  -3.157
    5   1HB   MET   1          2HB       MET   1 -10.609  13.067  -5.607
    6   2HB   MET   1          1HB       MET   1  -8.944  12.635  -6.000
    7   1HG   MET   1          2HG       MET   1 -10.231  10.638  -6.293
    8   2HG   MET   1          1HG       MET   1  -9.356  10.439  -4.775
    9   1HE   MET   1          1HE       MET   1 -11.554   8.499  -3.706
   10   2HE   MET   1          2HE       MET   1 -11.191   8.677  -5.420
   11   3HE   MET   1          3HE       MET   1 -12.863   8.745  -4.870
   12    H    LYS   2           H        LYS   2  -8.028  12.586  -1.723
   13    HA   LYS   2           HA       LYS   2  -5.773  12.241  -1.111
   14   1HB   LYS   2          2HB       LYS   2  -6.422  10.579  -3.474
   15   2HB   LYS   2          1HB       LYS   2  -4.699  10.780  -3.156
   16   1HG   LYS   2          2HG       LYS   2  -5.319   8.868  -1.893
   17   2HG   LYS   2          1HG       LYS   2  -5.254  10.179  -0.715
   18   1HD   LYS   2          2HD       LYS   2  -7.315   9.252  -0.190
   19   2HD   LYS   2          1HD       LYS   2  -7.808  10.459  -1.379
   20   1HE   LYS   2          2HE       LYS   2  -7.189   8.304  -2.983
   21   2HE   LYS   2          1HE       LYS   2  -7.884   7.526  -1.546
   22   1HZ   LYS   2          1HZ       LYS   2  -9.557   8.285  -3.229
   23   2HZ   LYS   2          2HZ       LYS   2  -9.103   9.883  -2.871
   24   3HZ   LYS   2          3HZ       LYS   2  -9.791   8.903  -1.666
   25    H    LYS   3           H        LYS   3  -5.906  14.753  -1.918
   26    HA   LYS   3           HA       LYS   3  -3.349  15.306  -3.142
   27   1HB   LYS   3          2HB       LYS   3  -4.847  14.631  -5.073
   28   2HB   LYS   3          1HB       LYS   3  -5.835  16.048  -4.713
   29   1HG   LYS   3          2HG       LYS   3  -3.670  17.411  -4.903
   30   2HG   LYS   3          1HG       LYS   3  -2.954  15.971  -5.625
   31   1HD   LYS   3          2HD       LYS   3  -4.581  15.976  -7.415
   32   2HD   LYS   3          1HD       LYS   3  -5.492  17.275  -6.642
   33   1HE   LYS   3          2HE       LYS   3  -3.475  18.759  -6.875
   34   2HE   LYS   3          1HE       LYS   3  -2.693  17.468  -7.809
   35   1HZ   LYS   3          1HZ       LYS   3  -3.881  19.003  -9.266
   36   2HZ   LYS   3          2HZ       LYS   3  -5.329  18.697  -8.430
   37   3HZ   LYS   3          3HZ       LYS   3  -4.579  17.457  -9.317
   38    H    LYS   4           H        LYS   4  -3.777  16.278  -0.828
   39    HA   LYS   4           HA       LYS   4  -5.489  18.505  -0.413
   40   1HB   LYS   4          2HB       LYS   4  -3.075  17.288   0.800
   41   2HB   LYS   4          1HB       LYS   4  -3.344  18.984   1.209
   42   1HG   LYS   4          2HG       LYS   4  -5.804  18.232   1.658
   43   2HG   LYS   4          1HG       LYS   4  -5.115  16.611   1.749
   44   1HD   LYS   4          2HD       LYS   4  -3.957  17.059   3.685
   45   2HD   LYS   4          1HD       LYS   4  -3.728  18.760   3.278
   46   1HE   LYS   4          2HE       LYS   4  -6.521  17.805   3.812
   47   2HE   LYS   4          1HE       LYS   4  -5.437  18.075   5.191
   48   1HZ   LYS   4          1HZ       LYS   4  -6.539  20.131   4.622
   49   2HZ   LYS   4          2HZ       LYS   4  -6.022  20.007   3.009
   50   3HZ   LYS   4          3HZ       LYS   4  -4.889  20.258   4.251
   51    H    ASP   5           H        ASP   5  -1.949  18.921  -0.563
   52    HA   ASP   5           HA       ASP   5  -2.395  21.336  -2.293
   53   1HB   ASP   5          2HB       ASP   5  -0.791  20.782   0.171
   54   2HB   ASP   5          1HB       ASP   5  -0.153  21.951  -0.985
   55    HA   PRO   6           HA       PRO   6   0.528  19.580  -5.099
   56   1HB   PRO   6          2HB       PRO   6   1.694  21.817  -6.140
   57   2HB   PRO   6          1HB       PRO   6   0.046  21.305  -6.551
   58   1HG   PRO   6          2HG       PRO   6   0.961  23.421  -4.675
   59   2HG   PRO   6          1HG       PRO   6  -0.431  23.405  -5.768
   60   1HD   PRO   6          2HD       PRO   6  -0.604  22.957  -3.079
   61   2HD   PRO   6          1HD       PRO   6  -1.761  22.317  -4.266
   62    H    ASN   7           H        ASN   7   1.587  21.596  -2.489
   63    HA   ASN   7           HA       ASN   7   4.427  20.733  -2.895
   64   1HB   ASN   7          2HB       ASN   7   3.092  23.105  -1.582
   65   2HB   ASN   7          1HB       ASN   7   4.780  22.707  -1.262
   66   1HD2  ASN   7          1HD2      ASN   7   6.063  22.256  -3.467
   67   2HD2  ASN   7          2HD2      ASN   7   5.773  23.381  -4.704
   68    H    ALA   8           H        ALA   8   1.648  20.601  -0.778
   69    HA   ALA   8           HA       ALA   8   3.204  19.605   1.530
   70   1HB   ALA   8          1HB       ALA   8   1.270  20.077   2.699
   71   2HB   ALA   8          2HB       ALA   8   0.226  19.505   1.398
   72   3HB   ALA   8          3HB       ALA   8   0.974  21.099   1.293
   73    HA   PRO   9           HA       PRO   9   2.658  15.394   0.220
   74   1HB   PRO   9          2HB       PRO   9   3.227  14.117   2.567
   75   2HB   PRO   9          1HB       PRO   9   4.475  14.856   1.545
   76   1HG   PRO   9          2HG       PRO   9   3.234  15.868   4.047
   77   2HG   PRO   9          1HG       PRO   9   4.902  16.014   3.472
   78   1HD   PRO   9          2HD       PRO   9   3.035  18.022   3.329
   79   2HD   PRO   9          1HD       PRO   9   4.453  17.894   2.267
   80    H    LYS  10           H        LYS  10   0.716  14.369  -0.035
   81    HA   LYS  10           HA       LYS  10  -1.646  14.944   1.408
   82   1HB   LYS  10          2HB       LYS  10  -2.510  12.931   0.239
   83   2HB   LYS  10          1HB       LYS  10  -1.547  13.941  -0.836
   84   1HG   LYS  10          2HG       LYS  10   0.127  12.005   0.558
   85   2HG   LYS  10          1HG       LYS  10  -1.171  11.204  -0.324
   86   1HD   LYS  10          2HD       LYS  10  -0.487  12.816  -2.273
   87   2HD   LYS  10          1HD       LYS  10   1.034  12.945  -1.388
   88   1HE   LYS  10          2HE       LYS  10   1.416  11.117  -2.843
   89   2HE   LYS  10          1HE       LYS  10   0.926  10.319  -1.335
   90   1HZ   LYS  10          1HZ       LYS  10  -0.881  11.059  -3.577
   91   2HZ   LYS  10          2HZ       LYS  10  -1.368  10.341  -2.116
   92   3HZ   LYS  10          3HZ       LYS  10  -0.373   9.486  -3.196
   93    H    ARG  11           H        ARG  11  -2.859  12.673   2.271
   94    HA   ARG  11           HA       ARG  11  -1.767  12.243   4.901
   95   1HB   ARG  11          2HB       ARG  11  -4.035  11.320   3.219
   96   2HB   ARG  11          1HB       ARG  11  -3.585  10.249   4.548
   97   1HG   ARG  11          2HG       ARG  11  -5.117  11.695   5.575
   98   2HG   ARG  11          1HG       ARG  11  -3.572  12.450   5.970
   99   1HD   ARG  11          2HD       ARG  11  -3.884  14.197   4.453
  100   2HD   ARG  11          1HD       ARG  11  -4.983  13.246   3.434
  101    HE   ARG  11           HE       ARG  11  -6.756  13.654   5.009
  102   1HH1  ARG  11          1HH1      ARG  11  -4.604  13.581   7.318
  103   2HH1  ARG  11          2HH1      ARG  11  -4.854  15.161   7.981
  104   1HH2  ARG  11          1HH2      ARG  11  -6.705  16.291   5.275
  105   2HH2  ARG  11          2HH2      ARG  11  -6.044  16.696   6.824
  106    HA   PRO  12           HA       PRO  12   0.970   8.895   3.928
  107   1HB   PRO  12          2HB       PRO  12   1.290   7.821   6.421
  108   2HB   PRO  12          1HB       PRO  12   2.057   9.341   5.920
  109   1HG   PRO  12          2HG       PRO  12  -0.338   8.899   7.611
  110   2HG   PRO  12          1HG       PRO  12   0.907  10.151   7.713
  111   1HD   PRO  12          2HD       PRO  12  -1.607  10.519   6.644
  112   2HD   PRO  12          1HD       PRO  12  -0.192  11.529   6.280
  113    HA   PRO  13           HA       PRO  13  -2.110   5.636   3.733
  114   1HB   PRO  13          2HB       PRO  13  -0.782   3.979   2.020
  115   2HB   PRO  13          1HB       PRO  13  -1.619   5.451   1.487
  116   1HG   PRO  13          2HG       PRO  13   1.266   4.933   1.798
  117   2HG   PRO  13          1HG       PRO  13   0.426   6.051   0.718
  118   1HD   PRO  13          2HD       PRO  13   1.745   6.704   3.114
  119   2HD   PRO  13          1HD       PRO  13   0.672   7.760   2.174
  120    H    SER  14           H        SER  14  -1.749   2.994   3.729
  121    HA   SER  14           HA       SER  14   0.466   2.124   5.453
  122   1HB   SER  14          2HB       SER  14  -0.899   1.685   7.389
  123   2HB   SER  14          1HB       SER  14  -1.226   3.346   6.903
  124    HG   SER  14           HG       SER  14  -3.138   2.718   6.039
  125    H    ALA  15           H        ALA  15   0.067   1.028   3.044
  126    HA   ALA  15           HA       ALA  15  -0.238  -1.025   1.969
  127   1HB   ALA  15          1HB       ALA  15   0.003  -1.590   4.741
  128   2HB   ALA  15          2HB       ALA  15   0.250  -2.706   3.399
  129   3HB   ALA  15          3HB       ALA  15  -1.336  -2.576   4.152
  130    H    PHE  16           H        PHE  16  -2.861  -1.352   4.397
  131    HA   PHE  16           HA       PHE  16  -4.895  -2.219   2.718
  132   1HB   PHE  16          2HB       PHE  16  -4.753  -1.819   5.269
  133   2HB   PHE  16          1HB       PHE  16  -5.325  -0.190   4.909
  134    HD1  PHE  16           1HD      PHE  16  -6.329  -3.508   5.626
  135    HD2  PHE  16           2HD      PHE  16  -7.432  -0.063   3.310
  136    HE1  PHE  16           1HE      PHE  16  -8.656  -4.353   5.477
  137    HE2  PHE  16           2HE      PHE  16  -9.758  -0.908   3.161
  138    HZ   PHE  16           HZ       PHE  16 -10.371  -3.053   4.244
  139    H    PHE  17           H        PHE  17  -4.225   1.206   3.532
  140    HA   PHE  17           HA       PHE  17  -6.247   2.401   1.930
  141   1HB   PHE  17          2HB       PHE  17  -4.510   3.314   3.692
  142   2HB   PHE  17          1HB       PHE  17  -3.513   3.612   2.268
  143    HD1  PHE  17           1HD      PHE  17  -4.474   5.007   0.369
  144    HD2  PHE  17           2HD      PHE  17  -6.327   4.740   4.235
  145    HE1  PHE  17           1HE      PHE  17  -5.774   7.064  -0.113
  146    HE2  PHE  17           2HE      PHE  17  -7.627   6.796   3.754
  147    HZ   PHE  17           HZ       PHE  17  -7.351   7.958   1.581
  148    H    LEU  18           H        LEU  18  -2.975   1.297   1.089
  149    HA   LEU  18           HA       LEU  18  -2.928   2.406  -1.578
  150   1HB   LEU  18          2HB       LEU  18  -1.452   0.000  -0.454
  151   2HB   LEU  18          1HB       LEU  18  -0.952   0.996  -1.815
  152    HG   LEU  18           HG       LEU  18  -1.130   1.867   1.090
  153   1HD1  LEU  18          1HD1      LEU  18   0.856   0.624   0.798
  154   2HD1  LEU  18          2HD1      LEU  18   1.363   2.300   0.589
  155   3HD1  LEU  18          3HD1      LEU  18   1.125   1.269  -0.822
  156   1HD2  LEU  18          1HD2      LEU  18  -0.748   3.388  -1.480
  157   2HD2  LEU  18          2HD2      LEU  18   0.082   3.935  -0.024
  158   3HD2  LEU  18          3HD2      LEU  18  -1.678   3.839  -0.052
  159    H    PHE  19           H        PHE  19  -3.930  -0.725  -0.224
  160    HA   PHE  19           HA       PHE  19  -4.362  -1.996  -2.808
  161   1HB   PHE  19          2HB       PHE  19  -3.823  -3.128  -0.633
  162   2HB   PHE  19          1HB       PHE  19  -5.423  -2.676  -0.046
  163    HD1  PHE  19           1HD      PHE  19  -7.460  -3.644  -1.056
  164    HD2  PHE  19           2HD      PHE  19  -3.533  -4.875  -2.285
  165    HE1  PHE  19           1HE      PHE  19  -8.432  -5.640  -2.162
  166    HE2  PHE  19           2HE      PHE  19  -4.505  -6.870  -3.392
  167    HZ   PHE  19           HZ       PHE  19  -6.954  -7.253  -3.329
  168    H    CYS  20           H        CYS  20  -6.613  -0.850  -0.258
  169    HA   CYS  20           HA       CYS  20  -9.035  -1.263  -1.678
  170   1HB   CYS  20          2HB       CYS  20  -8.735  -0.734   0.751
  171   2HB   CYS  20          1HB       CYS  20  -8.339   0.926   0.308
  172    HG   CYS  20           HG       CYS  20 -11.154  -0.334   0.208
  173    H    SER  21           H        SER  21  -7.126   1.762  -1.395
  174    HA   SER  21           HA       SER  21  -8.711   3.388  -3.093
  175   1HB   SER  21          2HB       SER  21  -6.750   4.801  -3.131
  176   2HB   SER  21          1HB       SER  21  -6.811   4.025  -1.551
  177    HG   SER  21           HG       SER  21  -5.133   2.798  -2.075
  178    H    GLU  22           H        GLU  22  -6.464   0.824  -3.917
  179    HA   GLU  22           HA       GLU  22  -6.427   1.674  -6.772
  180   1HB   GLU  22          2HB       GLU  22  -4.831  -0.144  -5.007
  181   2HB   GLU  22          1HB       GLU  22  -4.723  -0.306  -6.757
  182   1HG   GLU  22          2HG       GLU  22  -4.269   2.282  -5.243
  183   2HG   GLU  22          1HG       GLU  22  -2.981   1.221  -5.814
  184    H    TYR  23           H        TYR  23  -7.717  -0.823  -4.655
  185    HA   TYR  23           HA       TYR  23  -8.454  -2.559  -6.939
  186   1HB   TYR  23          2HB       TYR  23  -8.402  -2.706  -3.952
  187   2HB   TYR  23          1HB       TYR  23  -9.458  -3.814  -4.826
  188    HD1  TYR  23           1HD      TYR  23  -5.958  -2.464  -5.055
  189    HD2  TYR  23           2HD      TYR  23  -8.560  -5.853  -5.493
  190    HE1  TYR  23           1HE      TYR  23  -4.009  -3.888  -5.620
  191    HE2  TYR  23           2HE      TYR  23  -6.610  -7.278  -6.057
  192    HH   TYR  23           HH       TYR  23  -3.504  -6.469  -5.434
  193    H    ARG  24           H        ARG  24  -9.788   0.220  -5.989
  194    HA   ARG  24           HA       ARG  24 -12.562  -0.638  -5.600
  195   1HB   ARG  24          2HB       ARG  24 -11.017   1.921  -5.654
  196   2HB   ARG  24          1HB       ARG  24 -12.768   1.967  -5.856
  197   1HG   ARG  24          2HG       ARG  24 -13.146   0.908  -3.752
  198   2HG   ARG  24          1HG       ARG  24 -11.446   0.472  -3.590
  199   1HD   ARG  24          2HD       ARG  24 -11.233   2.385  -2.369
  200   2HD   ARG  24          1HD       ARG  24 -11.386   3.251  -3.911
  201    HE   ARG  24           HE       ARG  24 -13.962   2.951  -3.431
  202   1HH1  ARG  24          1HH1      ARG  24 -12.974   1.980  -0.616
  203   2HH1  ARG  24          2HH1      ARG  24 -13.321   3.398   0.315
  204   1HH2  ARG  24          1HH2      ARG  24 -13.757   5.434  -2.458
  205   2HH2  ARG  24          2HH2      ARG  24 -13.764   5.354  -0.728
  206    HA   PRO  25           HA       PRO  25 -12.968   1.438  -9.943
  207   1HB   PRO  25          2HB       PRO  25 -10.749   1.419 -11.549
  208   2HB   PRO  25          1HB       PRO  25 -11.215   2.796 -10.530
  209   1HG   PRO  25          2HG       PRO  25  -9.179   0.684 -10.041
  210   2HG   PRO  25          1HG       PRO  25  -9.111   2.420  -9.700
  211   1HD   PRO  25          2HD       PRO  25  -9.590   0.576  -7.809
  212   2HD   PRO  25          1HD       PRO  25 -10.268   2.213  -7.721
  213    H    LYS  26           H        LYS  26 -11.133  -1.372  -9.127
  214    HA   LYS  26           HA       LYS  26 -11.528  -2.868 -11.597
  215   1HB   LYS  26          2HB       LYS  26  -9.810  -3.252  -9.748
  216   2HB   LYS  26          1HB       LYS  26 -11.143  -3.846  -8.752
  217   1HG   LYS  26          2HG       LYS  26 -10.704  -4.986 -11.501
  218   2HG   LYS  26          1HG       LYS  26  -9.733  -5.562 -10.147
  219   1HD   LYS  26          2HD       LYS  26 -12.036  -5.796  -8.926
  220   2HD   LYS  26          1HD       LYS  26 -12.704  -5.767 -10.558
  221   1HE   LYS  26          2HE       LYS  26 -10.424  -7.623  -9.850
  222   2HE   LYS  26          1HE       LYS  26 -12.115  -8.092  -9.587
  223   1HZ   LYS  26          1HZ       LYS  26 -10.997  -7.077 -12.147
  224   2HZ   LYS  26          2HZ       LYS  26 -12.605  -7.558 -11.881
  225   3HZ   LYS  26          3HZ       LYS  26 -11.351  -8.703 -11.818
  226    H    ILE  27           H        ILE  27 -13.024  -2.900  -8.362
  227    HA   ILE  27           HA       ILE  27 -15.115  -4.738  -8.732
  228    HB   ILE  27           HB       ILE  27 -15.225  -2.083  -7.248
  229   1HG1  ILE  27          2HG1      ILE  27 -13.204  -3.221  -6.520
  230   2HG1  ILE  27          1HG1      ILE  27 -14.420  -3.396  -5.269
  231   1HG2  ILE  27          1HG2      ILE  27 -17.378  -3.132  -7.299
  232   2HG2  ILE  27          2HG2      ILE  27 -16.699  -3.419  -5.697
  233   3HG2  ILE  27          3HG2      ILE  27 -16.688  -4.705  -6.904
  234   1HD1  ILE  27          1HD1      ILE  27 -13.535  -5.461  -7.281
  235   2HD1  ILE  27          2HD1      ILE  27 -15.007  -5.632  -6.323
  236   3HD1  ILE  27          3HD1      ILE  27 -13.438  -5.544  -5.522
  237    H    LYS  28           H        LYS  28 -14.899  -1.357  -9.687
  238    HA   LYS  28           HA       LYS  28 -17.686  -1.034 -10.372
  239   1HB   LYS  28          2HB       LYS  28 -15.555   0.623 -11.687
  240   2HB   LYS  28          1HB       LYS  28 -17.093   1.126 -11.006
  241   1HG   LYS  28          2HG       LYS  28 -14.517   0.531  -9.578
  242   2HG   LYS  28          1HG       LYS  28 -15.408   2.035  -9.593
  243   1HD   LYS  28          2HD       LYS  28 -16.234  -0.540  -8.207
  244   2HD   LYS  28          1HD       LYS  28 -15.686   0.944  -7.437
  245   1HE   LYS  28          2HE       LYS  28 -18.127   0.868  -9.242
  246   2HE   LYS  28          1HE       LYS  28 -18.221   0.642  -7.484
  247   1HZ   LYS  28          1HZ       LYS  28 -16.906   2.723  -7.263
  248   2HZ   LYS  28          2HZ       LYS  28 -18.451   2.962  -7.927
  249   3HZ   LYS  28          3HZ       LYS  28 -17.080   2.971  -8.931
  250    H    SER  29           H        SER  29 -14.803  -1.918 -12.246
  251    HA   SER  29           HA       SER  29 -15.895  -1.769 -14.865
  252   1HB   SER  29          2HB       SER  29 -13.504  -2.118 -14.200
  253   2HB   SER  29          1HB       SER  29 -13.909  -3.768 -13.737
  254    HG   SER  29           HG       SER  29 -14.135  -4.304 -15.795
  255    H    GLU  30           H        GLU  30 -16.388  -4.147 -12.332
  256    HA   GLU  30           HA       GLU  30 -17.961  -5.841 -14.248
  257   1HB   GLU  30          2HB       GLU  30 -15.987  -6.347 -12.132
  258   2HB   GLU  30          1HB       GLU  30 -17.437  -7.334 -11.960
  259   1HG   GLU  30          2HG       GLU  30 -16.073  -7.067 -14.633
  260   2HG   GLU  30          1HG       GLU  30 -15.507  -8.243 -13.445
  261    H    HIS  31           H        HIS  31 -18.050  -4.022 -11.258
  262    HA   HIS  31           HA       HIS  31 -20.893  -4.893 -10.845
  263   1HB   HIS  31          2HB       HIS  31 -18.957  -3.829  -8.762
  264   2HB   HIS  31          1HB       HIS  31 -20.520  -4.581  -8.474
  265    HD1  HIS  31           1HD      HIS  31 -16.953  -5.363  -9.200
  266    HD2  HIS  31           2HD      HIS  31 -20.544  -7.448  -8.835
  267    HE1  HIS  31           1HE      HIS  31 -16.341  -7.812  -9.035
  268    HA   PRO  32           HA       PRO  32 -21.050  -0.433 -11.814
  269   1HB   PRO  32          2HB       PRO  32 -23.555  -0.477 -12.912
  270   2HB   PRO  32          1HB       PRO  32 -22.091  -0.878 -13.823
  271   1HG   PRO  32          2HG       PRO  32 -24.149  -2.671 -12.676
  272   2HG   PRO  32          1HG       PRO  32 -23.191  -2.845 -14.154
  273   1HD   PRO  32          2HD       PRO  32 -22.693  -4.170 -11.789
  274   2HD   PRO  32          1HD       PRO  32 -21.501  -3.902 -13.077
  275    H    GLY  33           H        GLY  33 -23.471  -2.501 -10.287
  276   1HA   GLY  33          2HA       GLY  33 -24.829  -0.279  -8.962
  277   2HA   GLY  33          1HA       GLY  33 -25.138  -1.992  -8.699
  278    H    LEU  34           H        LEU  34 -21.984  -2.095  -8.335
  279    HA   LEU  34           HA       LEU  34 -21.956  -2.269  -5.493
  280   1HB   LEU  34          2HB       LEU  34 -20.182  -2.580  -7.744
  281   2HB   LEU  34          1HB       LEU  34 -19.338  -1.694  -6.481
  282    HG   LEU  34           HG       LEU  34 -19.068  -4.174  -6.292
  283   1HD1  LEU  34          1HD1      LEU  34 -20.213  -4.111  -3.820
  284   2HD1  LEU  34          2HD1      LEU  34 -20.148  -2.388  -4.197
  285   3HD1  LEU  34          3HD1      LEU  34 -18.671  -3.353  -4.214
  286   1HD2  LEU  34          1HD2      LEU  34 -21.784  -4.536  -5.181
  287   2HD2  LEU  34          2HD2      LEU  34 -20.833  -5.615  -6.202
  288   3HD2  LEU  34          3HD2      LEU  34 -21.742  -4.289  -6.927
  289    H    SER  35           H        SER  35 -22.971  -0.198  -4.840
  290    HA   SER  35           HA       SER  35 -21.649   2.351  -5.333
  291   1HB   SER  35          2HB       SER  35 -23.303   3.119  -3.634
  292   2HB   SER  35          1HB       SER  35 -24.055   2.113  -4.869
  293    HG   SER  35           HG       SER  35 -24.385   0.589  -3.431
  294    H    ILE  36           H        ILE  36 -20.882   3.687  -3.348
  295    HA   ILE  36           HA       ILE  36 -18.593   2.565  -2.149
  296    HB   ILE  36           HB       ILE  36 -20.435   4.786  -1.199
  297   1HG1  ILE  36          2HG1      ILE  36 -19.540   5.123  -3.476
  298   2HG1  ILE  36          1HG1      ILE  36 -18.806   6.257  -2.347
  299   1HG2  ILE  36          1HG2      ILE  36 -18.321   5.625  -0.070
  300   2HG2  ILE  36          2HG2      ILE  36 -17.607   4.045  -0.396
  301   3HG2  ILE  36          3HG2      ILE  36 -19.020   4.174   0.651
  302   1HD1  ILE  36          1HD1      ILE  36 -17.026   5.377  -3.704
  303   2HD1  ILE  36          2HD1      ILE  36 -17.579   3.721  -3.460
  304   3HD1  ILE  36          3HD1      ILE  36 -16.877   4.623  -2.117
  305    H    GLY  37           H        GLY  37 -21.951   2.369  -1.132
  306   1HA   GLY  37          2HA       GLY  37 -21.556   1.578   1.583
  307   2HA   GLY  37          1HA       GLY  37 -22.970   1.169   0.609
  308    H    ASP  38           H        ASP  38 -22.578  -0.630  -1.034
  309    HA   ASP  38           HA       ASP  38 -21.600  -2.985   0.308
  310   1HB   ASP  38          2HB       ASP  38 -23.393  -2.640  -1.547
  311   2HB   ASP  38          1HB       ASP  38 -22.030  -2.703  -2.666
  312    H    THR  39           H        THR  39 -20.074  -0.674  -1.858
  313    HA   THR  39           HA       THR  39 -17.874  -2.374  -2.692
  314    HB   THR  39           HB       THR  39 -18.238   0.638  -2.552
  315    HG1  THR  39           1HG      THR  39 -18.908   0.414  -4.628
  316   1HG2  THR  39          1HG2      THR  39 -16.432   0.649  -4.307
  317   2HG2  THR  39          2HG2      THR  39 -16.154  -1.057  -3.957
  318   3HG2  THR  39          3HG2      THR  39 -15.869   0.157  -2.710
  319    H    ALA  40           H        ALA  40 -18.200   0.145  -0.187
  320    HA   ALA  40           HA       ALA  40 -15.589   0.141   0.874
  321   1HB   ALA  40          1HB       ALA  40 -16.772   0.844   2.985
  322   2HB   ALA  40          2HB       ALA  40 -18.298   0.391   2.224
  323   3HB   ALA  40          3HB       ALA  40 -17.331   1.703   1.550
  324    H    LYS  41           H        LYS  41 -18.304  -2.033   1.629
  325    HA   LYS  41           HA       LYS  41 -16.678  -3.611   3.497
  326   1HB   LYS  41          2HB       LYS  41 -18.772  -4.847   3.812
  327   2HB   LYS  41          1HB       LYS  41 -19.073  -3.117   3.880
  328   1HG   LYS  41          2HG       LYS  41 -19.629  -3.322   1.363
  329   2HG   LYS  41          1HG       LYS  41 -19.715  -5.054   1.660
  330   1HD   LYS  41          2HD       LYS  41 -21.942  -4.096   1.899
  331   2HD   LYS  41          1HD       LYS  41 -21.365  -4.622   3.479
  332   1HE   LYS  41          2HE       LYS  41 -20.477  -1.928   3.148
  333   2HE   LYS  41          1HE       LYS  41 -22.188  -1.980   2.679
  334   1HZ   LYS  41          1HZ       LYS  41 -21.030  -3.130   5.163
  335   2HZ   LYS  41          2HZ       LYS  41 -22.660  -3.239   4.699
  336   3HZ   LYS  41          3HZ       LYS  41 -21.978  -1.727   5.071
  337    H    LYS  42           H        LYS  42 -17.131  -3.620   0.085
  338    HA   LYS  42           HA       LYS  42 -16.970  -6.488  -0.375
  339   1HB   LYS  42          2HB       LYS  42 -17.639  -4.323  -1.847
  340   2HB   LYS  42          1HB       LYS  42 -15.969  -4.489  -2.355
  341   1HG   LYS  42          2HG       LYS  42 -17.289  -5.759  -3.897
  342   2HG   LYS  42          1HG       LYS  42 -16.488  -6.928  -2.845
  343   1HD   LYS  42          2HD       LYS  42 -19.101  -5.985  -1.847
  344   2HD   LYS  42          1HD       LYS  42 -19.183  -6.894  -3.356
  345   1HE   LYS  42          2HE       LYS  42 -17.344  -8.164  -1.490
  346   2HE   LYS  42          1HE       LYS  42 -18.957  -7.987  -0.784
  347   1HZ   LYS  42          1HZ       LYS  42 -18.389  -9.066  -3.493
  348   2HZ   LYS  42          2HZ       LYS  42 -19.924  -8.914  -2.783
  349   3HZ   LYS  42          3HZ       LYS  42 -18.792 -10.005  -2.139
  350    H    LEU  43           H        LEU  43 -14.637  -3.851  -0.933
  351    HA   LEU  43           HA       LEU  43 -12.330  -5.377  -1.446
  352   1HB   LEU  43          2HB       LEU  43 -12.851  -2.686  -0.174
  353   2HB   LEU  43          1HB       LEU  43 -11.205  -3.255  -0.474
  354    HG   LEU  43           HG       LEU  43 -13.216  -3.398  -2.694
  355   1HD1  LEU  43          1HD1      LEU  43 -12.892  -1.130  -3.319
  356   2HD1  LEU  43          2HD1      LEU  43 -11.578  -0.916  -2.162
  357   3HD1  LEU  43          3HD1      LEU  43 -13.239  -1.072  -1.590
  358   1HD2  LEU  43          1HD2      LEU  43 -11.323  -3.463  -4.052
  359   2HD2  LEU  43          2HD2      LEU  43 -10.714  -4.252  -2.597
  360   3HD2  LEU  43          3HD2      LEU  43 -10.342  -2.555  -2.901
  361    H    GLY  44           H        GLY  44 -13.874  -4.675   1.645
  362   1HA   GLY  44          2HA       GLY  44 -11.707  -5.266   3.394
  363   2HA   GLY  44          1HA       GLY  44 -13.413  -5.447   3.810
  364    H    GLU  45           H        GLU  45 -14.208  -7.397   1.998
  365    HA   GLU  45           HA       GLU  45 -13.365  -9.826   3.257
  366   1HB   GLU  45          2HB       GLU  45 -15.472  -9.156   1.841
  367   2HB   GLU  45          1HB       GLU  45 -14.493  -9.673   0.467
  368   1HG   GLU  45          2HG       GLU  45 -14.146 -11.872   1.552
  369   2HG   GLU  45          1HG       GLU  45 -15.158 -11.356   2.902
  370    H    MET  46           H        MET  46 -12.555  -8.475   0.039
  371    HA   MET  46           HA       MET  46 -10.770 -10.529  -0.805
  372   1HB   MET  46          2HB       MET  46 -10.843  -7.549  -1.367
  373   2HB   MET  46          1HB       MET  46  -9.931  -8.721  -2.316
  374   1HG   MET  46          2HG       MET  46 -12.883  -9.093  -1.840
  375   2HG   MET  46          1HG       MET  46 -12.303  -8.061  -3.148
  376   1HE   MET  46          1HE       MET  46 -13.464 -11.349  -4.896
  377   2HE   MET  46          2HE       MET  46 -13.740  -9.624  -4.659
  378   3HE   MET  46          3HE       MET  46 -14.116 -10.756  -3.362
  379    H    TRP  47           H        TRP  47 -10.324  -7.896   1.473
  380    HA   TRP  47           HA       TRP  47  -7.394  -7.993   1.423
  381   1HB   TRP  47          2HB       TRP  47  -8.801  -5.987   1.993
  382   2HB   TRP  47          1HB       TRP  47  -9.322  -6.823   3.456
  383    HD1  TRP  47           HD       TRP  47  -7.874  -6.464   5.515
  384    HE1  TRP  47           1HE      TRP  47  -5.483  -5.607   5.962
  385    HE3  TRP  47           3HE      TRP  47  -6.225  -5.905   0.714
  386    HZ2  TRP  47           2HZ      TRP  47  -3.175  -4.793   4.478
  387    HZ3  TRP  47           3HZ      TRP  47  -3.931  -5.089   0.260
  388    HH2  TRP  47           HH       TRP  47  -2.405  -4.532   2.134
  389    H    SER  48           H        SER  48  -9.952  -9.019   3.702
  390    HA   SER  48           HA       SER  48  -8.176 -10.328   5.559
  391   1HB   SER  48          2HB       SER  48 -10.539  -9.514   5.944
  392   2HB   SER  48          1HB       SER  48 -11.106 -10.872   4.978
  393    HG   SER  48           HG       SER  48  -9.722 -10.890   7.447
  394    H    GLU  49           H        GLU  49  -9.702 -11.327   2.555
  395    HA   GLU  49           HA       GLU  49  -9.426 -14.183   2.890
  396   1HB   GLU  49          2HB       GLU  49  -9.807 -12.232   0.631
  397   2HB   GLU  49          1HB       GLU  49  -9.485 -13.927   0.263
  398   1HG   GLU  49          2HG       GLU  49 -11.632 -13.139   2.231
  399   2HG   GLU  49          1HG       GLU  49 -11.960 -13.207   0.499
  400    H    GLN  50           H        GLN  50  -7.392 -11.694   1.333
  401    HA   GLN  50           HA       GLN  50  -5.319 -13.359   0.333
  402   1HB   GLN  50          2HB       GLN  50  -5.390 -10.532   1.422
  403   2HB   GLN  50          1HB       GLN  50  -3.967 -11.210   0.629
  404   1HG   GLN  50          2HG       GLN  50  -6.696 -11.232  -0.671
  405   2HG   GLN  50          1HG       GLN  50  -5.571  -9.888  -0.869
  406   1HE2  GLN  50          1HE2      GLN  50  -6.047 -13.344  -1.571
  407   2HE2  GLN  50          2HE2      GLN  50  -4.816 -13.449  -2.736
  408    H    SER  51           H        SER  51  -3.262 -13.925   1.241
  409    HA   SER  51           HA       SER  51  -3.309 -14.296   4.195
  410   1HB   SER  51          2HB       SER  51  -2.974 -16.174   2.516
  411   2HB   SER  51          1HB       SER  51  -1.439 -15.425   2.089
  412    HG   SER  51           HG       SER  51  -2.225 -16.742   4.422
  413    H    ALA  52           H        ALA  52  -0.384 -14.587   4.313
  414    HA   ALA  52           HA       ALA  52   0.322 -11.730   4.568
  415   1HB   ALA  52          1HB       ALA  52   1.736 -14.332   5.240
  416   2HB   ALA  52          2HB       ALA  52   0.814 -13.328   6.359
  417   3HB   ALA  52          3HB       ALA  52   2.329 -12.730   5.682
  418    H    LYS  53           H        LYS  53   0.013 -12.324   1.864
  419    HA   LYS  53           HA       LYS  53   2.848 -12.411   0.882
  420   1HB   LYS  53          2HB       LYS  53   0.297 -13.644  -0.187
  421   2HB   LYS  53          1HB       LYS  53   1.754 -13.490  -1.168
  422   1HG   LYS  53          2HG       LYS  53   3.025 -14.807   0.458
  423   2HG   LYS  53          1HG       LYS  53   1.611 -14.913   1.506
  424   1HD   LYS  53          2HD       LYS  53   1.606 -16.960   0.313
  425   2HD   LYS  53          1HD       LYS  53   0.414 -15.965  -0.523
  426   1HE   LYS  53          2HE       LYS  53   1.972 -15.434  -2.288
  427   2HE   LYS  53          1HE       LYS  53   3.318 -16.162  -1.390
  428   1HZ   LYS  53          1HZ       LYS  53   2.419 -17.724  -3.009
  429   2HZ   LYS  53          2HZ       LYS  53   0.876 -17.588  -2.309
  430   3HZ   LYS  53          3HZ       LYS  53   2.153 -18.282  -1.429
  431    H    ASP  54           H        ASP  54  -0.482 -11.390   0.030
  432    HA   ASP  54           HA       ASP  54   0.304  -9.522  -2.015
  433   1HB   ASP  54          2HB       ASP  54  -1.963 -10.641  -1.501
  434   2HB   ASP  54          1HB       ASP  54  -2.176  -9.374  -0.293
  435    H    LYS  55           H        LYS  55   0.047  -9.251   1.488
  436    HA   LYS  55           HA       LYS  55   0.111  -6.321   1.500
  437   1HB   LYS  55          2HB       LYS  55  -0.997  -7.740   3.221
  438   2HB   LYS  55          1HB       LYS  55   0.582  -8.367   3.692
  439   1HG   LYS  55          2HG       LYS  55   1.298  -6.268   4.511
  440   2HG   LYS  55          1HG       LYS  55   0.017  -5.404   3.661
  441   1HD   LYS  55          2HD       LYS  55  -1.563  -5.905   5.248
  442   2HD   LYS  55          1HD       LYS  55  -0.847  -7.474   5.615
  443   1HE   LYS  55          2HE       LYS  55   1.106  -6.132   6.663
  444   2HE   LYS  55          1HE       LYS  55  -0.011  -4.753   6.629
  445   1HZ   LYS  55          1HZ       LYS  55  -0.142  -6.141   8.691
  446   2HZ   LYS  55          2HZ       LYS  55  -0.731  -7.414   7.731
  447   3HZ   LYS  55          3HZ       LYS  55  -1.613  -5.967   7.864
  448    H    GLN  56           H        GLN  56   2.449  -8.958   1.973
  449    HA   GLN  56           HA       GLN  56   4.674  -7.739   3.050
  450   1HB   GLN  56          2HB       GLN  56   4.121  -9.866   1.081
  451   2HB   GLN  56          1HB       GLN  56   5.771  -9.245   1.039
  452   1HG   GLN  56          2HG       GLN  56   5.607  -9.491   3.661
  453   2HG   GLN  56          1HG       GLN  56   4.327 -10.640   3.269
  454   1HE2  GLN  56          1HE2      GLN  56   5.078 -12.201   1.320
  455   2HE2  GLN  56          2HE2      GLN  56   6.635 -12.851   1.502
  456    HA   PRO  57           HA       PRO  57   6.107  -5.819  -1.058
  457   1HB   PRO  57          2HB       PRO  57   4.505  -5.916  -3.255
  458   2HB   PRO  57          1HB       PRO  57   5.650  -7.208  -2.845
  459   1HG   PRO  57          2HG       PRO  57   2.717  -7.094  -2.480
  460   2HG   PRO  57          1HG       PRO  57   3.749  -8.472  -2.878
  461   1HD   PRO  57          2HD       PRO  57   2.698  -7.946  -0.378
  462   2HD   PRO  57          1HD       PRO  57   4.118  -8.965  -0.694
  463    H    TYR  58           H        TYR  58   2.570  -5.622  -0.707
  464    HA   TYR  58           HA       TYR  58   2.482  -2.796  -1.495
  465   1HB   TYR  58          2HB       TYR  58   0.735  -5.038  -1.256
  466   2HB   TYR  58          1HB       TYR  58   0.082  -3.767  -0.227
  467    HD1  TYR  58           1HD      TYR  58  -1.354  -2.225  -1.221
  468    HD2  TYR  58           2HD      TYR  58   1.661  -4.129  -3.617
  469    HE1  TYR  58           1HE      TYR  58  -2.203  -1.047  -3.231
  470    HE2  TYR  58           2HE      TYR  58   0.811  -2.949  -5.625
  471    HH   TYR  58           HH       TYR  58  -1.900  -1.814  -6.078
  472    H    GLU  59           H        GLU  59   3.482  -4.206   1.369
  473    HA   GLU  59           HA       GLU  59   2.154  -2.202   3.125
  474   1HB   GLU  59          2HB       GLU  59   3.056  -3.601   4.926
  475   2HB   GLU  59          1HB       GLU  59   2.242  -4.612   3.740
  476   1HG   GLU  59          2HG       GLU  59   4.138  -5.824   3.569
  477   2HG   GLU  59          1HG       GLU  59   4.905  -4.417   2.835
  478    H    GLN  60           H        GLN  60   5.237  -2.879   1.619
  479    HA   GLN  60           HA       GLN  60   6.813  -1.150   3.362
  480   1HB   GLN  60          2HB       GLN  60   8.549  -1.577   1.635
  481   2HB   GLN  60          1HB       GLN  60   7.765  -3.067   2.154
  482   1HG   GLN  60          2HG       GLN  60   6.519  -3.248   0.167
  483   2HG   GLN  60          1HG       GLN  60   6.751  -1.550  -0.247
  484   1HE2  GLN  60          1HE2      GLN  60   8.215  -4.747  -0.385
  485   2HE2  GLN  60          2HE2      GLN  60   9.564  -4.294  -1.310
  486    H    LYS  61           H        LYS  61   4.824  -0.712   0.529
  487    HA   LYS  61           HA       LYS  61   5.955   1.675  -0.560
  488   1HB   LYS  61          2HB       LYS  61   4.240   0.247  -1.634
  489   2HB   LYS  61          1HB       LYS  61   3.074   0.720  -0.398
  490   1HG   LYS  61          2HG       LYS  61   2.992   2.957  -1.167
  491   2HG   LYS  61          1HG       LYS  61   4.477   2.780  -2.102
  492   1HD   LYS  61          2HD       LYS  61   3.270   1.076  -3.528
  493   2HD   LYS  61          1HD       LYS  61   1.784   1.525  -2.689
  494   1HE   LYS  61          2HE       LYS  61   2.323   3.954  -3.369
  495   2HE   LYS  61          1HE       LYS  61   3.497   3.245  -4.496
  496   1HZ   LYS  61          1HZ       LYS  61   1.752   1.834  -5.385
  497   2HZ   LYS  61          2HZ       LYS  61   1.312   3.470  -5.532
  498   3HZ   LYS  61          3HZ       LYS  61   0.623   2.508  -4.312
  499    H    ALA  62           H        ALA  62   3.491   1.194   1.982
  500    HA   ALA  62           HA       ALA  62   3.091   4.037   2.450
  501   1HB   ALA  62          1HB       ALA  62   2.012   3.001   4.581
  502   2HB   ALA  62          2HB       ALA  62   2.379   1.450   3.829
  503   3HB   ALA  62          3HB       ALA  62   1.309   2.594   3.017
  504    H    ALA  63           H        ALA  63   5.613   1.874   3.310
  505    HA   ALA  63           HA       ALA  63   6.307   3.209   5.842
  506   1HB   ALA  63          1HB       ALA  63   8.091   1.554   5.856
  507   2HB   ALA  63          2HB       ALA  63   7.830   1.206   4.147
  508   3HB   ALA  63          3HB       ALA  63   6.606   0.759   5.334
  509    H    LYS  64           H        LYS  64   6.561   4.172   2.667
  510    HA   LYS  64           HA       LYS  64   9.279   5.371   2.969
  511   1HB   LYS  64          2HB       LYS  64   7.396   4.741   0.689
  512   2HB   LYS  64          1HB       LYS  64   8.776   5.812   0.466
  513   1HG   LYS  64          2HG       LYS  64   8.958   2.992   1.559
  514   2HG   LYS  64          1HG       LYS  64   9.281   3.430  -0.119
  515   1HD   LYS  64          2HD       LYS  64  10.983   5.112   0.815
  516   2HD   LYS  64          1HD       LYS  64  10.815   4.258   2.349
  517   1HE   LYS  64          2HE       LYS  64  11.395   2.724  -0.185
  518   2HE   LYS  64          1HE       LYS  64  12.709   3.475   0.744
  519   1HZ   LYS  64          1HZ       LYS  64  11.929   2.364   2.724
  520   2HZ   LYS  64          2HZ       LYS  64  12.223   1.209   1.514
  521   3HZ   LYS  64          3HZ       LYS  64  10.630   1.677   1.878
  522    H    LEU  65           H        LEU  65   5.863   6.068   2.528
  523    HA   LEU  65           HA       LEU  65   6.246   8.958   2.174
  524   1HB   LEU  65          2HB       LEU  65   3.985   6.991   2.365
  525   2HB   LEU  65          1HB       LEU  65   3.637   8.711   2.549
  526    HG   LEU  65           HG       LEU  65   5.093   8.958   0.379
  527   1HD1  LEU  65          1HD1      LEU  65   4.358   6.031   0.442
  528   2HD1  LEU  65          2HD1      LEU  65   5.924   6.762   0.088
  529   3HD1  LEU  65          3HD1      LEU  65   4.611   6.878  -1.084
  530   1HD2  LEU  65          1HD2      LEU  65   2.749   9.536   0.411
  531   2HD2  LEU  65          2HD2      LEU  65   2.277   7.837   0.466
  532   3HD2  LEU  65          3HD2      LEU  65   3.012   8.501  -0.993
  533    H    LYS  66           H        LYS  66   6.568   6.995   4.852
  534    HA   LYS  66           HA       LYS  66   5.164   8.753   6.773
  535   1HB   LYS  66          2HB       LYS  66   5.215   6.229   6.884
  536   2HB   LYS  66          1HB       LYS  66   6.947   6.334   7.202
  537   1HG   LYS  66          2HG       LYS  66   6.535   7.639   9.225
  538   2HG   LYS  66          1HG       LYS  66   4.803   7.657   8.890
  539   1HD   LYS  66          2HD       LYS  66   4.664   5.252   9.156
  540   2HD   LYS  66          1HD       LYS  66   6.417   5.126   9.305
  541   1HE   LYS  66          2HE       LYS  66   6.098   6.800  11.313
  542   2HE   LYS  66          1HE       LYS  66   4.429   6.194  11.292
  543   1HZ   LYS  66          1HZ       LYS  66   5.274   3.936  11.334
  544   2HZ   LYS  66          2HZ       LYS  66   5.858   4.798  12.676
  545   3HZ   LYS  66          3HZ       LYS  66   6.873   4.502  11.346
  546    H    GLU  67           H        GLU  67   8.397   8.065   5.558
  547    HA   GLU  67           HA       GLU  67   9.729   9.641   7.665
  548   1HB   GLU  67          2HB       GLU  67  10.439   7.903   5.348
  549   2HB   GLU  67          1HB       GLU  67  11.634   9.106   5.837
  550   1HG   GLU  67          2HG       GLU  67  11.788   8.215   8.036
  551   2HG   GLU  67          1HG       GLU  67  10.322   7.255   7.832
  552    H    LYS  68           H        LYS  68   8.170  10.297   4.680
  553    HA   LYS  68           HA       LYS  68   9.797  12.753   4.193
  554   1HB   LYS  68          2HB       LYS  68   8.043  10.915   2.619
  555   2HB   LYS  68          1HB       LYS  68   8.094  12.605   2.116
  556   1HG   LYS  68          2HG       LYS  68  10.612  11.015   2.627
  557   2HG   LYS  68          1HG       LYS  68   9.828  11.041   1.048
  558   1HD   LYS  68          2HD       LYS  68  10.077  13.438   0.885
  559   2HD   LYS  68          1HD       LYS  68  10.652  13.539   2.551
  560   1HE   LYS  68          2HE       LYS  68  12.692  12.367   2.002
  561   2HE   LYS  68          1HE       LYS  68  12.088  11.974   0.379
  562   1HZ   LYS  68          1HZ       LYS  68  13.503  13.942   0.323
  563   2HZ   LYS  68          2HZ       LYS  68  12.501  14.715   1.457
  564   3HZ   LYS  68          3HZ       LYS  68  11.906  14.339  -0.089
  565    H    TYR  69           H        TYR  69   6.543  11.584   4.934
  566    HA   TYR  69           HA       TYR  69   5.236  14.179   4.772
  567   1HB   TYR  69          2HB       TYR  69   4.078  12.017   4.495
  568   2HB   TYR  69          1HB       TYR  69   4.508  11.562   6.142
  569    HD1  TYR  69           1HD      TYR  69   3.632  12.974   8.072
  570    HD2  TYR  69           2HD      TYR  69   2.159  13.349   4.054
  571    HE1  TYR  69           1HE      TYR  69   1.603  14.116   8.923
  572    HE2  TYR  69           2HE      TYR  69   0.131  14.494   4.906
  573    HH   TYR  69           HH       TYR  69  -1.095  14.362   7.509
  574    H    GLU  70           H        GLU  70   6.169  12.089   7.526
  575    HA   GLU  70           HA       GLU  70   5.595  14.056   9.558
  576   1HB   GLU  70          2HB       GLU  70   7.209  11.506   9.404
  577   2HB   GLU  70          1HB       GLU  70   7.071  12.423  10.904
  578   1HG   GLU  70          2HG       GLU  70   4.598  12.276  10.746
  579   2HG   GLU  70          1HG       GLU  70   4.765  11.305   9.282
  580    H    LYS  71           H        LYS  71   8.227  13.811   7.344
  581    HA   LYS  71           HA       LYS  71  10.032  15.372   9.144
  582   1HB   LYS  71          2HB       LYS  71  10.580  13.162   7.834
  583   2HB   LYS  71          1HB       LYS  71  10.748  14.242   6.449
  584   1HG   LYS  71          2HG       LYS  71  12.108  15.117   8.939
  585   2HG   LYS  71          1HG       LYS  71  12.785  13.690   8.155
  586   1HD   LYS  71          2HD       LYS  71  12.125  16.144   6.540
  587   2HD   LYS  71          1HD       LYS  71  13.651  16.033   7.417
  588   1HE   LYS  71          2HE       LYS  71  13.671  13.608   6.221
  589   2HE   LYS  71          1HE       LYS  71  12.745  14.525   5.018
  590   1HZ   LYS  71          1HZ       LYS  71  15.202  14.694   4.743
  591   2HZ   LYS  71          2HZ       LYS  71  15.271  15.492   6.242
  592   3HZ   LYS  71          3HZ       LYS  71  14.426  16.189   4.942
  593    H    ASP  72           H        ASP  72   8.329  15.510   6.036
  594    HA   ASP  72           HA       ASP  72   9.557  18.114   5.347
  595   1HB   ASP  72          2HB       ASP  72   9.090  16.217   3.738
  596   2HB   ASP  72          1HB       ASP  72   7.369  16.539   3.963
  597    H    ILE  73           H        ILE  73   6.405  16.829   6.393
  598    HA   ILE  73           HA       ILE  73   4.762  19.072   5.957
  599    HB   ILE  73           HB       ILE  73   4.163  16.747   6.766
  600   1HG1  ILE  73          2HG1      ILE  73   2.382  17.708   8.432
  601   2HG1  ILE  73          1HG1      ILE  73   3.064  19.270   7.972
  602   1HG2  ILE  73          1HG2      ILE  73   4.782  17.871   9.511
  603   2HG2  ILE  73          2HG2      ILE  73   5.858  16.767   8.653
  604   3HG2  ILE  73          3HG2      ILE  73   4.240  16.239   9.116
  605   1HD1  ILE  73          1HD1      ILE  73   1.105  18.532   6.552
  606   2HD1  ILE  73          2HD1      ILE  73   2.114  17.210   5.965
  607   3HD1  ILE  73          3HD1      ILE  73   2.575  18.880   5.642
  608    H    ALA  74           H        ALA  74   6.983  18.467   8.677
  609    HA   ALA  74           HA       ALA  74   6.259  20.609  10.384
  610   1HB   ALA  74          1HB       ALA  74   8.861  20.424  10.867
  611   2HB   ALA  74          2HB       ALA  74   8.744  19.039   9.780
  612   3HB   ALA  74          3HB       ALA  74   7.786  19.082  11.260
  613    H    ALA  75           H        ALA  75   8.813  20.589   7.864
  614    HA   ALA  75           HA       ALA  75   9.457  23.378   8.057
  615   1HB   ALA  75          1HB       ALA  75   9.660  21.409   5.750
  616   2HB   ALA  75          2HB       ALA  75  10.877  21.657   7.004
  617   3HB   ALA  75          3HB       ALA  75  10.525  22.944   5.851
  618    H    TYR  76           H        TYR  76   7.012  21.596   6.240
  619    HA   TYR  76           HA       TYR  76   6.208  23.646   4.413
  620   1HB   TYR  76          2HB       TYR  76   5.604  21.222   4.341
  621   2HB   TYR  76          1HB       TYR  76   4.566  21.465   5.748
  622    HD1  TYR  76           1HD      TYR  76   2.363  22.294   5.502
  623    HD2  TYR  76           2HD      TYR  76   5.137  22.598   2.236
  624    HE1  TYR  76           1HE      TYR  76   0.529  23.054   4.016
  625    HE2  TYR  76           2HE      TYR  76   3.302  23.359   0.749
  626    HH   TYR  76           HH       TYR  76   0.440  24.508   1.805
  627    H    ARG  77           H        ARG  77   5.106  22.868   7.716
  628    HA   ARG  77           HA       ARG  77   3.175  25.080   7.752
  629   1HB   ARG  77          2HB       ARG  77   4.208  23.065   9.765
  630   2HB   ARG  77          1HB       ARG  77   2.983  24.269  10.166
  631   1HG   ARG  77          2HG       ARG  77   1.412  23.350   8.672
  632   2HG   ARG  77          1HG       ARG  77   2.648  22.469   7.773
  633   1HD   ARG  77          2HD       ARG  77   1.757  20.734   9.053
  634   2HD   ARG  77          1HD       ARG  77   3.023  21.305  10.157
  635    HE   ARG  77           HE       ARG  77   1.123  22.878  11.037
  636   1HH1  ARG  77          1HH2      ARG  77  -0.822  21.354   9.176
  637   2HH1  ARG  77          2HH2      ARG  77  -1.585  20.301  10.320
  638   1HH2  ARG  77          1HH1      ARG  77   0.805  20.810  12.781
  639   2HH2  ARG  77          2HH1      ARG  77  -0.663  19.992  12.362
  640    H    ALA  78           H        ALA  78   5.585  24.432  10.301
  641    HA   ALA  78           HA       ALA  78   7.093  26.882   9.842
  642   1HB   ALA  78          1HB       ALA  78   4.879  26.732  11.901
  643   2HB   ALA  78          2HB       ALA  78   5.088  27.931  10.625
  644   3HB   ALA  78          3HB       ALA  78   6.181  27.916  12.009
  645    H    LYS  79           H        LYS  79   7.848  24.180  10.280
  646    HA   LYS  79           HA       LYS  79   9.145  24.354  12.980
  647   1HB   LYS  79          2HB       LYS  79   7.517  22.289  11.645
  648   2HB   LYS  79          1HB       LYS  79   8.978  21.677  12.419
  649   1HG   LYS  79          2HG       LYS  79   8.335  22.660  14.540
  650   2HG   LYS  79          1HG       LYS  79   6.957  23.470  13.793
  651   1HD   LYS  79          2HD       LYS  79   7.261  20.468  13.691
  652   2HD   LYS  79          1HD       LYS  79   6.486  21.269  15.059
  653   1HE   LYS  79          2HE       LYS  79   4.984  22.445  13.343
  654   2HE   LYS  79          1HE       LYS  79   5.606  21.276  12.161
  655   1HZ   LYS  79          1HZ       LYS  79   4.335  20.617  14.766
  656   2HZ   LYS  79          2HZ       LYS  79   4.993  19.486  13.684
  657   3HZ   LYS  79          3HZ       LYS  79   3.633  20.401  13.238
  Start of MODEL    6
    1   1H    MET   1          1HT       MET   1  -7.265  11.266  -5.039
    2   2H    MET   1          2HT       MET   1  -6.964  11.423  -3.374
    3   3H    MET   1          3HT       MET   1  -5.755  11.819  -4.500
    4    HA   MET   1           HA       MET   1  -7.135  13.657  -5.336
    5   1HB   MET   1          2HB       MET   1  -9.196  12.298  -4.585
    6   2HB   MET   1          1HB       MET   1  -8.909  12.978  -2.982
    7   1HG   MET   1          2HG       MET   1  -9.008  15.263  -3.964
    8   2HG   MET   1          1HG       MET   1  -9.384  14.550  -5.532
    9   1HE   MET   1          1HE       MET   1 -11.745  15.875  -5.769
   10   2HE   MET   1          2HE       MET   1 -10.996  16.693  -4.401
   11   3HE   MET   1          3HE       MET   1 -12.688  16.209  -4.310
   12    H    LYS   2           H        LYS   2  -5.769  15.264  -4.678
   13    HA   LYS   2           HA       LYS   2  -4.931  15.418  -1.825
   14   1HB   LYS   2          2HB       LYS   2  -3.935  16.352  -4.493
   15   2HB   LYS   2          1HB       LYS   2  -3.418  17.232  -3.054
   16   1HG   LYS   2          2HG       LYS   2  -1.770  15.613  -3.126
   17   2HG   LYS   2          1HG       LYS   2  -2.969  14.771  -2.144
   18   1HD   LYS   2          2HD       LYS   2  -2.376  13.197  -3.812
   19   2HD   LYS   2          1HD       LYS   2  -3.900  13.877  -4.381
   20   1HE   LYS   2          2HE       LYS   2  -2.038  15.621  -5.456
   21   2HE   LYS   2          1HE       LYS   2  -1.223  14.047  -5.567
   22   1HZ   LYS   2          1HZ       LYS   2  -4.008  14.613  -6.440
   23   2HZ   LYS   2          2HZ       LYS   2  -3.225  13.107  -6.534
   24   3HZ   LYS   2          3HZ       LYS   2  -2.680  14.412  -7.475
   25    H    LYS   3           H        LYS   3  -7.017  16.325  -1.091
   26    HA   LYS   3           HA       LYS   3  -8.237  18.681  -2.114
   27   1HB   LYS   3          2HB       LYS   3  -8.941  16.907  -0.316
   28   2HB   LYS   3          1HB       LYS   3  -8.141  17.997   0.816
   29   1HG   LYS   3          2HG       LYS   3  -9.562  19.860   0.008
   30   2HG   LYS   3          1HG       LYS   3 -10.385  18.743  -1.081
   31   1HD   LYS   3          2HD       LYS   3 -11.805  18.783   0.791
   32   2HD   LYS   3          1HD       LYS   3 -10.827  17.342   1.071
   33   1HE   LYS   3          2HE       LYS   3  -9.537  18.382   2.740
   34   2HE   LYS   3          1HE       LYS   3  -9.941  20.012   2.165
   35   1HZ   LYS   3          1HZ       LYS   3 -11.876  18.069   3.314
   36   2HZ   LYS   3          2HZ       LYS   3 -12.239  19.641   2.779
   37   3HZ   LYS   3          3HZ       LYS   3 -11.241  19.410   4.135
   38    H    LYS   4           H        LYS   4  -5.854  18.321   0.535
   39    HA   LYS   4           HA       LYS   4  -5.584  21.076   1.181
   40   1HB   LYS   4          2HB       LYS   4  -3.891  18.601   1.426
   41   2HB   LYS   4          1HB       LYS   4  -3.225  20.161   1.910
   42   1HG   LYS   4          2HG       LYS   4  -5.412  20.449   3.265
   43   2HG   LYS   4          1HG       LYS   4  -5.616  18.712   3.041
   44   1HD   LYS   4          2HD       LYS   4  -3.695  18.193   4.278
   45   2HD   LYS   4          1HD       LYS   4  -3.001  19.799   4.054
   46   1HE   LYS   4          2HE       LYS   4  -3.770  19.780   6.318
   47   2HE   LYS   4          1HE       LYS   4  -5.035  20.651   5.429
   48   1HZ   LYS   4          1HZ       LYS   4  -5.986  18.887   6.798
   49   2HZ   LYS   4          2HZ       LYS   4  -5.027  17.733   6.001
   50   3HZ   LYS   4          3HZ       LYS   4  -6.233  18.575   5.149
   51    H    ASP   5           H        ASP   5  -2.982  19.255  -0.449
   52    HA   ASP   5           HA       ASP   5  -2.846  21.072  -2.730
   53   1HB   ASP   5          2HB       ASP   5  -1.362  21.546  -0.212
   54   2HB   ASP   5          1HB       ASP   5  -0.383  21.648  -1.676
   55    HA   PRO   6           HA       PRO   6  -0.504  17.644  -4.228
   56   1HB   PRO   6          2HB       PRO   6   1.060  18.812  -6.145
   57   2HB   PRO   6          1HB       PRO   6  -0.682  18.541  -6.353
   58   1HG   PRO   6          2HG       PRO   6   0.775  21.034  -5.641
   59   2HG   PRO   6          1HG       PRO   6  -0.644  20.811  -6.676
   60   1HD   PRO   6          2HD       PRO   6  -0.770  21.729  -4.105
   61   2HD   PRO   6          1HD       PRO   6  -2.098  20.870  -4.915
   62    H    ASN   7           H        ASN   7   1.401  20.580  -3.555
   63    HA   ASN   7           HA       ASN   7   3.902  19.121  -3.180
   64   1HB   ASN   7          2HB       ASN   7   4.703  21.372  -2.501
   65   2HB   ASN   7          1HB       ASN   7   3.782  21.437  -4.001
   66   1HD2  ASN   7          1HD2      ASN   7   1.804  22.629  -4.005
   67   2HD2  ASN   7          2HD2      ASN   7   1.230  23.476  -2.650
   68    H    ALA   8           H        ALA   8   1.157  19.509  -1.188
   69    HA   ALA   8           HA       ALA   8   2.701  19.453   1.347
   70   1HB   ALA   8          1HB       ALA   8   0.433  19.682   2.324
   71   2HB   ALA   8          2HB       ALA   8  -0.272  19.484   0.719
   72   3HB   ALA   8          3HB       ALA   8   0.711  20.903   1.082
   73    HA   PRO   9           HA       PRO   9   2.388  15.004   1.272
   74   1HB   PRO   9          2HB       PRO   9   3.119  14.483   3.854
   75   2HB   PRO   9          1HB       PRO   9   4.282  14.935   2.594
   76   1HG   PRO   9          2HG       PRO   9   3.075  16.602   4.741
   77   2HG   PRO   9          1HG       PRO   9   4.726  16.603   4.104
   78   1HD   PRO   9          2HD       PRO   9   2.843  18.459   3.421
   79   2HD   PRO   9          1HD       PRO   9   4.188  17.986   2.359
   80    H    LYS  10           H        LYS  10   0.170  14.556   1.107
   81    HA   LYS  10           HA       LYS  10  -1.842  15.210   3.010
   82   1HB   LYS  10          2HB       LYS  10  -3.163  13.542   1.751
   83   2HB   LYS  10          1HB       LYS  10  -2.215  14.541   0.651
   84   1HG   LYS  10          2HG       LYS  10  -0.484  12.452   1.245
   85   2HG   LYS  10          1HG       LYS  10  -2.053  11.655   1.163
   86   1HD   LYS  10          2HD       LYS  10  -1.735  11.631  -1.081
   87   2HD   LYS  10          1HD       LYS  10  -2.143  13.345  -1.021
   88   1HE   LYS  10          2HE       LYS  10   0.245  13.922  -0.778
   89   2HE   LYS  10          1HE       LYS  10   0.667  12.198  -0.812
   90   1HZ   LYS  10          1HZ       LYS  10  -0.578  12.076  -2.957
   91   2HZ   LYS  10          2HZ       LYS  10   0.846  12.999  -3.027
   92   3HZ   LYS  10          3HZ       LYS  10  -0.667  13.769  -2.948
   93    H    ARG  11           H        ARG  11  -3.116  12.726   3.587
   94    HA   ARG  11           HA       ARG  11  -1.750  11.942   5.998
   95   1HB   ARG  11          2HB       ARG  11  -4.271  11.548   4.658
   96   2HB   ARG  11          1HB       ARG  11  -3.666   9.977   5.182
   97   1HG   ARG  11          2HG       ARG  11  -4.931  10.839   7.017
   98   2HG   ARG  11          1HG       ARG  11  -3.236  11.052   7.458
   99   1HD   ARG  11          2HD       ARG  11  -3.533  13.415   6.313
  100   2HD   ARG  11          1HD       ARG  11  -5.252  13.129   6.653
  101    HE   ARG  11           HE       ARG  11  -3.130  12.994   8.766
  102   1HH1  ARG  11          1HH1      ARG  11  -4.932  15.449   8.278
  103   2HH1  ARG  11          2HH1      ARG  11  -6.121  15.220   9.517
  104   1HH2  ARG  11          1HH2      ARG  11  -5.261  11.911  10.098
  105   2HH2  ARG  11          2HH2      ARG  11  -6.306  13.217  10.549
  106    HA   PRO  12           HA       PRO  12   0.894   8.877   4.169
  107   1HB   PRO  12          2HB       PRO  12   1.634   7.527   6.429
  108   2HB   PRO  12          1HB       PRO  12   2.286   9.121   6.001
  109   1HG   PRO  12          2HG       PRO  12   0.197   8.402   7.981
  110   2HG   PRO  12          1HG       PRO  12   1.432   9.665   8.045
  111   1HD   PRO  12          2HD       PRO  12  -1.214  10.106   7.443
  112   2HD   PRO  12          1HD       PRO  12   0.120  11.176   6.964
  113    HA   PRO  13           HA       PRO  13  -2.060   5.528   4.002
  114   1HB   PRO  13          2HB       PRO  13  -0.801   3.980   2.137
  115   2HB   PRO  13          1HB       PRO  13  -1.683   5.463   1.725
  116   1HG   PRO  13          2HG       PRO  13   1.224   4.985   1.884
  117   2HG   PRO  13          1HG       PRO  13   0.316   6.117   0.876
  118   1HD   PRO  13          2HD       PRO  13   1.728   6.745   3.209
  119   2HD   PRO  13          1HD       PRO  13   0.546   7.784   2.386
  120    H    SER  14           H        SER  14  -1.739   2.920   3.946
  121    HA   SER  14           HA       SER  14   0.609   1.997   5.467
  122   1HB   SER  14          2HB       SER  14  -0.919   3.130   7.103
  123   2HB   SER  14          1HB       SER  14  -2.175   1.973   6.672
  124    HG   SER  14           HG       SER  14  -0.610   1.577   8.550
  125    H    ALA  15           H        ALA  15   0.055   0.985   3.053
  126    HA   ALA  15           HA       ALA  15  -0.300  -1.031   1.928
  127   1HB   ALA  15          1HB       ALA  15   0.253  -2.769   3.264
  128   2HB   ALA  15          2HB       ALA  15  -1.285  -2.653   4.117
  129   3HB   ALA  15          3HB       ALA  15   0.097  -1.698   4.655
  130    H    PHE  16           H        PHE  16  -2.780  -1.398   4.487
  131    HA   PHE  16           HA       PHE  16  -4.911  -2.228   2.899
  132   1HB   PHE  16          2HB       PHE  16  -4.667  -1.934   5.428
  133   2HB   PHE  16          1HB       PHE  16  -5.159  -0.261   5.177
  134    HD1  PHE  16           1HD      PHE  16  -7.375   0.196   3.993
  135    HD2  PHE  16           2HD      PHE  16  -6.273  -3.681   5.481
  136    HE1  PHE  16           1HE      PHE  16  -9.750  -0.512   3.908
  137    HE2  PHE  16           2HE      PHE  16  -8.649  -4.388   5.395
  138    HZ   PHE  16           HZ       PHE  16 -10.387  -2.804   4.608
  139    H    PHE  17           H        PHE  17  -4.142   1.172   3.743
  140    HA   PHE  17           HA       PHE  17  -6.249   2.409   2.265
  141   1HB   PHE  17          2HB       PHE  17  -4.559   3.344   3.992
  142   2HB   PHE  17          1HB       PHE  17  -3.458   3.523   2.625
  143    HD1  PHE  17           1HD      PHE  17  -6.269   4.928   4.387
  144    HD2  PHE  17           2HD      PHE  17  -4.246   4.871   0.599
  145    HE1  PHE  17           1HE      PHE  17  -7.401   7.041   3.751
  146    HE2  PHE  17           2HE      PHE  17  -5.379   6.984  -0.037
  147    HZ   PHE  17           HZ       PHE  17  -6.955   8.069   1.539
  148    H    LEU  18           H        LEU  18  -2.942   1.476   1.332
  149    HA   LEU  18           HA       LEU  18  -2.935   2.548  -1.312
  150   1HB   LEU  18          2HB       LEU  18  -1.583   0.045  -0.238
  151   2HB   LEU  18          1HB       LEU  18  -1.070   0.984  -1.637
  152    HG   LEU  18           HG       LEU  18  -1.094   1.924   1.254
  153   1HD1  LEU  18          1HD1      LEU  18   1.402   2.163   0.692
  154   2HD1  LEU  18          2HD1      LEU  18   1.063   1.149  -0.710
  155   3HD1  LEU  18          3HD1      LEU  18   0.788   0.525   0.916
  156   1HD2  LEU  18          1HD2      LEU  18   0.191   3.895   0.105
  157   2HD2  LEU  18          2HD2      LEU  18  -1.570   3.885   0.025
  158   3HD2  LEU  18          3HD2      LEU  18  -0.622   3.354  -1.364
  159    H    PHE  19           H        PHE  19  -3.818  -0.710  -0.111
  160    HA   PHE  19           HA       PHE  19  -4.486  -1.837  -2.662
  161   1HB   PHE  19          2HB       PHE  19  -4.047  -3.032  -0.488
  162   2HB   PHE  19          1HB       PHE  19  -5.621  -2.475   0.080
  163    HD1  PHE  19           1HD      PHE  19  -7.696  -3.334  -0.895
  164    HD2  PHE  19           2HD      PHE  19  -3.861  -4.710  -2.252
  165    HE1  PHE  19           1HE      PHE  19  -8.789  -5.233  -2.058
  166    HE2  PHE  19           2HE      PHE  19  -4.953  -6.609  -3.414
  167    HZ   PHE  19           HZ       PHE  19  -7.418  -6.871  -3.317
  168    H    CYS  20           H        CYS  20  -6.571  -0.415  -0.117
  169    HA   CYS  20           HA       CYS  20  -9.011  -0.587  -1.665
  170   1HB   CYS  20          2HB       CYS  20  -8.580  -0.310   0.883
  171   2HB   CYS  20          1HB       CYS  20  -8.421   1.409   0.523
  172    HG   CYS  20           HG       CYS  20 -11.037  -0.235   0.025
  173    H    SER  21           H        SER  21  -6.335   1.625  -1.692
  174    HA   SER  21           HA       SER  21  -7.764   3.930  -2.743
  175   1HB   SER  21          2HB       SER  21  -5.734   4.271  -1.542
  176   2HB   SER  21          1HB       SER  21  -4.872   3.085  -2.517
  177    HG   SER  21           HG       SER  21  -5.926   5.579  -3.383
  178    H    GLU  22           H        GLU  22  -6.507   1.016  -4.227
  179    HA   GLU  22           HA       GLU  22  -6.911   2.303  -6.910
  180   1HB   GLU  22          2HB       GLU  22  -5.024   0.902  -7.680
  181   2HB   GLU  22          1HB       GLU  22  -4.543   1.970  -6.363
  182   1HG   GLU  22          2HG       GLU  22  -4.810   0.122  -4.755
  183   2HG   GLU  22          1HG       GLU  22  -5.317  -0.947  -6.062
  184    H    TYR  23           H        TYR  23  -7.749  -0.394  -4.873
  185    HA   TYR  23           HA       TYR  23  -8.491  -2.147  -7.126
  186   1HB   TYR  23          2HB       TYR  23  -8.370  -2.250  -4.150
  187   2HB   TYR  23          1HB       TYR  23  -9.479  -3.360  -4.950
  188    HD1  TYR  23           1HD      TYR  23  -5.929  -2.292  -4.723
  189    HD2  TYR  23           2HD      TYR  23  -8.683  -5.215  -6.244
  190    HE1  TYR  23           1HE      TYR  23  -4.030  -3.763  -5.331
  191    HE2  TYR  23           2HE      TYR  23  -6.783  -6.688  -6.851
  192    HH   TYR  23           HH       TYR  23  -4.180  -6.187  -7.426
  193    H    ARG  24           H        ARG  24  -9.934   0.593  -6.253
  194    HA   ARG  24           HA       ARG  24 -12.667  -0.385  -5.828
  195   1HB   ARG  24          2HB       ARG  24 -11.499   2.379  -6.215
  196   2HB   ARG  24          1HB       ARG  24 -13.162   2.024  -5.743
  197   1HG   ARG  24          2HG       ARG  24 -12.319   0.813  -3.747
  198   2HG   ARG  24          1HG       ARG  24 -10.674   1.261  -4.197
  199   1HD   ARG  24          2HD       ARG  24 -11.155   3.022  -2.754
  200   2HD   ARG  24          1HD       ARG  24 -11.802   3.714  -4.255
  201    HE   ARG  24           HE       ARG  24 -14.017   2.597  -3.538
  202   1HH1  ARG  24          1HH2      ARG  24 -13.588   5.162  -2.108
  203   2HH1  ARG  24          2HH2      ARG  24 -13.775   4.706  -0.447
  204   1HH2  ARG  24          1HH1      ARG  24 -13.387   1.314  -1.058
  205   2HH2  ARG  24          2HH1      ARG  24 -13.662   2.528   0.147
  206    HA   PRO  25           HA       PRO  25 -13.223   1.643 -10.173
  207   1HB   PRO  25          2HB       PRO  25 -11.019   1.750 -11.797
  208   2HB   PRO  25          1HB       PRO  25 -11.553   3.098 -10.773
  209   1HG   PRO  25          2HG       PRO  25  -9.397   1.103 -10.305
  210   2HG   PRO  25          1HG       PRO  25  -9.424   2.841  -9.961
  211   1HD   PRO  25          2HD       PRO  25  -9.784   0.967  -8.070
  212   2HD   PRO  25          1HD       PRO  25 -10.548   2.564  -7.971
  213    H    LYS  26           H        LYS  26 -11.212  -1.057  -9.386
  214    HA   LYS  26           HA       LYS  26 -11.552  -2.561 -11.859
  215   1HB   LYS  26          2HB       LYS  26  -9.791  -2.845 -10.026
  216   2HB   LYS  26          1HB       LYS  26 -11.072  -3.543  -9.030
  217   1HG   LYS  26          2HG       LYS  26 -10.597  -4.613 -11.798
  218   2HG   LYS  26          1HG       LYS  26  -9.553  -5.131 -10.475
  219   1HD   LYS  26          2HD       LYS  26 -11.778  -5.578  -9.198
  220   2HD   LYS  26          1HD       LYS  26 -12.520  -5.533 -10.799
  221   1HE   LYS  26          2HE       LYS  26 -10.733  -7.241 -11.512
  222   2HE   LYS  26          1HE       LYS  26 -10.411  -7.451  -9.779
  223   1HZ   LYS  26          1HZ       LYS  26 -13.089  -7.652 -11.052
  224   2HZ   LYS  26          2HZ       LYS  26 -12.738  -7.899  -9.408
  225   3HZ   LYS  26          3HZ       LYS  26 -12.142  -8.977 -10.579
  226    H    ILE  27           H        ILE  27 -12.992  -2.727  -8.604
  227    HA   ILE  27           HA       ILE  27 -14.973  -4.681  -8.970
  228    HB   ILE  27           HB       ILE  27 -15.179  -2.062  -7.433
  229   1HG1  ILE  27          2HG1      ILE  27 -13.108  -3.164  -6.777
  230   2HG1  ILE  27          1HG1      ILE  27 -14.290  -3.377  -5.499
  231   1HG2  ILE  27          1HG2      ILE  27 -16.555  -4.736  -7.122
  232   2HG2  ILE  27          2HG2      ILE  27 -17.300  -3.176  -7.475
  233   3HG2  ILE  27          3HG2      ILE  27 -16.587  -3.474  -5.890
  234   1HD1  ILE  27          1HD1      ILE  27 -14.845  -5.619  -6.498
  235   2HD1  ILE  27          2HD1      ILE  27 -13.214  -5.493  -5.840
  236   3HD1  ILE  27          3HD1      ILE  27 -13.471  -5.405  -7.582
  237    H    LYS  28           H        LYS  28 -14.948  -1.309  -9.956
  238    HA   LYS  28           HA       LYS  28 -17.777  -1.118 -10.537
  239   1HB   LYS  28          2HB       LYS  28 -15.746   0.621 -11.913
  240   2HB   LYS  28          1HB       LYS  28 -17.301   1.059 -11.227
  241   1HG   LYS  28          2HG       LYS  28 -14.690   0.601  -9.815
  242   2HG   LYS  28          1HG       LYS  28 -15.656   2.058  -9.830
  243   1HD   LYS  28          2HD       LYS  28 -16.339  -0.547  -8.424
  244   2HD   LYS  28          1HD       LYS  28 -15.866   0.968  -7.666
  245   1HE   LYS  28          2HE       LYS  28 -18.306   0.766  -9.461
  246   2HE   LYS  28          1HE       LYS  28 -18.385   0.519  -7.705
  247   1HZ   LYS  28          1HZ       LYS  28 -17.369   2.919  -9.130
  248   2HZ   LYS  28          2HZ       LYS  28 -17.185   2.663  -7.460
  249   3HZ   LYS  28          3HZ       LYS  28 -18.737   2.830  -8.132
  250    H    SER  29           H        SER  29 -14.921  -1.903 -12.491
  251    HA   SER  29           HA       SER  29 -16.089  -1.822 -15.079
  252   1HB   SER  29          2HB       SER  29 -13.662  -2.122 -14.383
  253   2HB   SER  29          1HB       SER  29 -14.042  -3.810 -14.057
  254    HG   SER  29           HG       SER  29 -13.489  -2.636 -16.385
  255    H    GLU  30           H        GLU  30 -16.443  -4.180 -12.505
  256    HA   GLU  30           HA       GLU  30 -18.034  -5.931 -14.353
  257   1HB   GLU  30          2HB       GLU  30 -15.945  -6.379 -12.342
  258   2HB   GLU  30          1HB       GLU  30 -17.354  -7.405 -12.091
  259   1HG   GLU  30          2HG       GLU  30 -16.075  -7.105 -14.811
  260   2HG   GLU  30          1HG       GLU  30 -15.522  -8.315 -13.652
  261    H    HIS  31           H        HIS  31 -18.056  -4.105 -11.366
  262    HA   HIS  31           HA       HIS  31 -20.844  -5.082 -10.830
  263   1HB   HIS  31          2HB       HIS  31 -18.870  -3.946  -8.824
  264   2HB   HIS  31          1HB       HIS  31 -20.383  -4.772  -8.481
  265    HD1  HIS  31           1HD      HIS  31 -16.812  -5.378  -9.315
  266    HD2  HIS  31           2HD      HIS  31 -20.290  -7.638  -8.895
  267    HE1  HIS  31           1HE      HIS  31 -16.083  -7.797  -9.203
  268    HA   PRO  32           HA       PRO  32 -21.205  -0.631 -11.778
  269   1HB   PRO  32          2HB       PRO  32 -23.757  -0.760 -12.756
  270   2HB   PRO  32          1HB       PRO  32 -22.323  -1.107 -13.736
  271   1HG   PRO  32          2HG       PRO  32 -24.261  -2.974 -12.504
  272   2HG   PRO  32          1HG       PRO  32 -23.362  -3.112 -14.023
  273   1HD   PRO  32          2HD       PRO  32 -22.715  -4.420 -11.683
  274   2HD   PRO  32          1HD       PRO  32 -21.593  -4.113 -13.025
  275    H    GLY  33           H        GLY  33 -23.559  -2.756 -10.193
  276   1HA   GLY  33          2HA       GLY  33 -24.884  -0.579  -8.777
  277   2HA   GLY  33          1HA       GLY  33 -25.134  -2.300  -8.504
  278    H    LEU  34           H        LEU  34 -21.937  -2.243  -8.311
  279    HA   LEU  34           HA       LEU  34 -21.794  -2.414  -5.453
  280   1HB   LEU  34          2HB       LEU  34 -20.117  -2.739  -7.784
  281   2HB   LEU  34          1HB       LEU  34 -19.229  -1.845  -6.559
  282    HG   LEU  34           HG       LEU  34 -18.932  -4.313  -6.360
  283   1HD1  LEU  34          1HD1      LEU  34 -20.002  -2.550  -4.236
  284   2HD1  LEU  34          2HD1      LEU  34 -18.490  -3.455  -4.301
  285   3HD1  LEU  34          3HD1      LEU  34 -19.988  -4.273  -3.862
  286   1HD2  LEU  34          1HD2      LEU  34 -21.623  -4.688  -5.185
  287   2HD2  LEU  34          2HD2      LEU  34 -20.676  -5.777  -6.198
  288   3HD2  LEU  34          3HD2      LEU  34 -21.608  -4.474  -6.935
  289    H    SER  35           H        SER  35 -22.840  -0.306  -4.865
  290    HA   SER  35           HA       SER  35 -21.505   2.220  -5.453
  291   1HB   SER  35          2HB       SER  35 -23.897   2.084  -4.982
  292   2HB   SER  35          1HB       SER  35 -23.580   1.342  -3.416
  293    HG   SER  35           HG       SER  35 -23.977   3.608  -3.280
  294    H    ILE  36           H        ILE  36 -20.793   3.608  -3.433
  295    HA   ILE  36           HA       ILE  36 -18.459   2.569  -2.264
  296    HB   ILE  36           HB       ILE  36 -20.405   4.671  -1.255
  297   1HG1  ILE  36          2HG1      ILE  36 -19.504   5.105  -3.514
  298   2HG1  ILE  36          1HG1      ILE  36 -18.839   6.246  -2.349
  299   1HG2  ILE  36          1HG2      ILE  36 -17.561   4.022  -0.435
  300   2HG2  ILE  36          2HG2      ILE  36 -18.990   4.085   0.596
  301   3HG2  ILE  36          3HG2      ILE  36 -18.330   5.571  -0.086
  302   1HD1  ILE  36          1HD1      ILE  36 -17.479   3.804  -3.516
  303   2HD1  ILE  36          2HD1      ILE  36 -16.838   4.694  -2.135
  304   3HD1  ILE  36          3HD1      ILE  36 -17.001   5.491  -3.700
  305    H    GLY  37           H        GLY  37 -21.797   2.296  -1.132
  306   1HA   GLY  37          2HA       GLY  37 -21.295   1.393   1.520
  307   2HA   GLY  37          1HA       GLY  37 -22.735   0.993   0.580
  308    H    ASP  38           H        ASP  38 -22.432  -0.769  -1.076
  309    HA   ASP  38           HA       ASP  38 -21.376  -3.149   0.117
  310   1HB   ASP  38          2HB       ASP  38 -22.548  -2.267  -2.470
  311   2HB   ASP  38          1HB       ASP  38 -21.632  -3.774  -2.509
  312    H    THR  39           H        THR  39 -19.863  -0.713  -1.906
  313    HA   THR  39           HA       THR  39 -17.671  -2.365  -2.861
  314    HB   THR  39           HB       THR  39 -18.096   0.628  -2.572
  315    HG1  THR  39           1HG      THR  39 -18.633   0.479  -4.709
  316   1HG2  THR  39          1HG2      THR  39 -15.716   0.314  -2.670
  317   2HG2  THR  39          2HG2      THR  39 -16.233   0.755  -4.298
  318   3HG2  THR  39          3HG2      THR  39 -15.870  -0.927  -3.914
  319    H    ALA  40           H        ALA  40 -17.999  -0.013  -0.191
  320    HA   ALA  40           HA       ALA  40 -15.377  -0.075   0.847
  321   1HB   ALA  40          1HB       ALA  40 -18.055   0.056   2.273
  322   2HB   ALA  40          2HB       ALA  40 -17.168   1.426   1.603
  323   3HB   ALA  40          3HB       ALA  40 -16.515   0.542   2.983
  324    H    LYS  41           H        LYS  41 -18.124  -2.190   1.722
  325    HA   LYS  41           HA       LYS  41 -16.516  -3.896   3.433
  326   1HB   LYS  41          2HB       LYS  41 -18.595  -5.197   3.561
  327   2HB   LYS  41          1HB       LYS  41 -18.940  -3.480   3.716
  328   1HG   LYS  41          2HG       LYS  41 -19.328  -3.562   1.145
  329   2HG   LYS  41          1HG       LYS  41 -19.446  -5.304   1.375
  330   1HD   LYS  41          2HD       LYS  41 -21.679  -4.434   1.565
  331   2HD   LYS  41          1HD       LYS  41 -21.151  -4.849   3.193
  332   1HE   LYS  41          2HE       LYS  41 -20.291  -2.191   2.847
  333   2HE   LYS  41          1HE       LYS  41 -21.919  -2.244   2.139
  334   1HZ   LYS  41          1HZ       LYS  41 -22.713  -3.382   4.115
  335   2HZ   LYS  41          2HZ       LYS  41 -22.019  -1.891   4.537
  336   3HZ   LYS  41          3HZ       LYS  41 -21.162  -3.334   4.800
  337    H    LYS  42           H        LYS  42 -16.889  -3.732   0.007
  338    HA   LYS  42           HA       LYS  42 -16.581  -6.557  -0.607
  339   1HB   LYS  42          2HB       LYS  42 -17.269  -4.292  -1.958
  340   2HB   LYS  42          1HB       LYS  42 -15.604  -4.471  -2.487
  341   1HG   LYS  42          2HG       LYS  42 -16.911  -5.677  -4.070
  342   2HG   LYS  42          1HG       LYS  42 -16.195  -6.904  -3.022
  343   1HD   LYS  42          2HD       LYS  42 -18.793  -5.853  -2.086
  344   2HD   LYS  42          1HD       LYS  42 -18.865  -6.747  -3.604
  345   1HE   LYS  42          2HE       LYS  42 -17.141  -8.139  -1.737
  346   2HE   LYS  42          1HE       LYS  42 -18.726  -7.846  -1.006
  347   1HZ   LYS  42          1HZ       LYS  42 -18.287  -8.949  -3.730
  348   2HZ   LYS  42          2HZ       LYS  42 -19.792  -8.705  -2.979
  349   3HZ   LYS  42          3HZ       LYS  42 -18.715  -9.870  -2.371
  350    H    LEU  43           H        LEU  43 -14.344  -3.793  -0.910
  351    HA   LEU  43           HA       LEU  43 -11.970  -5.201  -1.477
  352   1HB   LEU  43          2HB       LEU  43 -12.571  -2.629   0.003
  353   2HB   LEU  43          1HB       LEU  43 -10.925  -3.116  -0.412
  354    HG   LEU  43           HG       LEU  43 -13.058  -3.097  -2.532
  355   1HD1  LEU  43          1HD1      LEU  43 -12.676  -0.843  -1.092
  356   2HD1  LEU  43          2HD1      LEU  43 -13.003  -0.825  -2.825
  357   3HD1  LEU  43          3HD1      LEU  43 -11.347  -0.683  -2.238
  358   1HD2  LEU  43          1HD2      LEU  43 -11.187  -2.872  -4.006
  359   2HD2  LEU  43          2HD2      LEU  43 -10.711  -4.079  -2.811
  360   3HD2  LEU  43          3HD2      LEU  43 -10.109  -2.426  -2.684
  361    H    GLY  44           H        GLY  44 -13.488  -4.567   1.681
  362   1HA   GLY  44          2HA       GLY  44 -11.310  -5.350   3.338
  363   2HA   GLY  44          1HA       GLY  44 -13.008  -5.422   3.808
  364    H    GLU  45           H        GLU  45 -14.062  -7.290   2.117
  365    HA   GLU  45           HA       GLU  45 -13.423  -9.785   3.261
  366   1HB   GLU  45          2HB       GLU  45 -15.363  -8.881   1.704
  367   2HB   GLU  45          1HB       GLU  45 -14.370  -9.575   0.423
  368   1HG   GLU  45          2HG       GLU  45 -15.856 -11.319   1.085
  369   2HG   GLU  45          1HG       GLU  45 -14.306 -11.713   1.829
  370    H    MET  46           H        MET  46 -12.061  -8.250   0.365
  371    HA   MET  46           HA       MET  46 -10.551 -10.545  -0.553
  372   1HB   MET  46          2HB       MET  46 -10.274  -7.546  -0.942
  373   2HB   MET  46          1HB       MET  46  -9.349  -8.740  -1.853
  374   1HG   MET  46          2HG       MET  46 -12.372  -8.763  -1.740
  375   2HG   MET  46          1HG       MET  46 -11.472  -7.900  -2.987
  376   1HE   MET  46          1HE       MET  46 -13.295  -9.399  -4.094
  377   2HE   MET  46          2HE       MET  46 -13.573 -10.822  -3.093
  378   3HE   MET  46          3HE       MET  46 -12.950 -11.014  -4.729
  379    H    TRP  47           H        TRP  47  -9.613  -7.611   1.258
  380    HA   TRP  47           HA       TRP  47  -6.900  -8.144   1.739
  381   1HB   TRP  47          2HB       TRP  47  -8.469  -6.159   2.356
  382   2HB   TRP  47          1HB       TRP  47  -8.748  -7.044   3.855
  383    HD1  TRP  47           HD       TRP  47  -7.105  -6.544   5.719
  384    HE1  TRP  47           1HE      TRP  47  -4.719  -5.580   5.872
  385    HE3  TRP  47           3HE      TRP  47  -6.040  -6.029   0.751
  386    HZ2  TRP  47           2HZ      TRP  47  -2.633  -4.706   4.119
  387    HZ3  TRP  47           3HZ      TRP  47  -3.849  -5.129   0.021
  388    HH2  TRP  47           HH       TRP  47  -2.147  -4.467   1.697
  389    H    SER  48           H        SER  48  -9.563  -8.958   4.018
  390    HA   SER  48           HA       SER  48  -7.982 -10.532   5.796
  391   1HB   SER  48          2HB       SER  48 -10.301  -9.556   6.121
  392   2HB   SER  48          1HB       SER  48 -10.920 -10.866   5.119
  393    HG   SER  48           HG       SER  48  -9.892 -10.898   7.703
  394    H    GLU  49           H        GLU  49  -9.711 -11.389   2.824
  395    HA   GLU  49           HA       GLU  49  -9.628 -14.225   3.010
  396   1HB   GLU  49          2HB       GLU  49  -9.891 -12.131   0.936
  397   2HB   GLU  49          1HB       GLU  49  -9.332 -13.692   0.336
  398   1HG   GLU  49          2HG       GLU  49 -11.255 -14.817   1.271
  399   2HG   GLU  49          1HG       GLU  49 -11.767 -13.350   2.105
  400    H    GLN  50           H        GLN  50  -7.193 -11.937   1.752
  401    HA   GLN  50           HA       GLN  50  -5.311 -13.928   0.853
  402   1HB   GLN  50          2HB       GLN  50  -5.133 -11.018   1.672
  403   2HB   GLN  50          1HB       GLN  50  -3.744 -11.904   1.042
  404   1HG   GLN  50          2HG       GLN  50  -6.393 -11.748  -0.414
  405   2HG   GLN  50          1HG       GLN  50  -5.076 -10.609  -0.694
  406   1HE2  GLN  50          1HE2      GLN  50  -6.221 -13.830  -1.376
  407   2HE2  GLN  50          2HE2      GLN  50  -4.887 -14.328  -2.301
  408    H    SER  51           H        SER  51  -3.100 -14.192   1.921
  409    HA   SER  51           HA       SER  51  -3.204 -14.015   4.903
  410   1HB   SER  51          2HB       SER  51  -2.503 -16.477   3.273
  411   2HB   SER  51          1HB       SER  51  -2.534 -16.372   5.031
  412    HG   SER  51           HG       SER  51  -4.488 -17.135   3.648
  413    H    ALA  52           H        ALA  52  -1.529 -12.442   4.901
  414    HA   ALA  52           HA       ALA  52   0.683 -11.621   4.783
  415   1HB   ALA  52          1HB       ALA  52   2.290 -13.241   5.492
  416   2HB   ALA  52          2HB       ALA  52   1.393 -14.561   4.744
  417   3HB   ALA  52          3HB       ALA  52   0.755 -13.768   6.184
  418    H    LYS  53           H        LYS  53  -0.513 -11.727   2.240
  419    HA   LYS  53           HA       LYS  53   1.862 -12.329   0.530
  420   1HB   LYS  53          2HB       LYS  53   0.081 -14.183   0.611
  421   2HB   LYS  53          1HB       LYS  53  -0.975 -13.053  -0.237
  422   1HG   LYS  53          2HG       LYS  53   1.757 -13.404  -1.360
  423   2HG   LYS  53          1HG       LYS  53   0.653 -14.770  -1.534
  424   1HD   LYS  53          2HD       LYS  53  -0.902 -13.515  -2.780
  425   2HD   LYS  53          1HD       LYS  53  -0.235 -11.976  -2.231
  426   1HE   LYS  53          2HE       LYS  53   1.868 -12.481  -3.500
  427   2HE   LYS  53          1HE       LYS  53   1.083 -13.938  -4.142
  428   1HZ   LYS  53          1HZ       LYS  53  -0.723 -12.558  -4.968
  429   2HZ   LYS  53          2HZ       LYS  53   0.758 -12.052  -5.629
  430   3HZ   LYS  53          3HZ       LYS  53   0.038 -11.163  -4.372
  431    H    ASP  54           H        ASP  54  -1.513 -11.176   0.137
  432    HA   ASP  54           HA       ASP  54  -0.937  -9.263  -1.904
  433   1HB   ASP  54          2HB       ASP  54  -3.153 -10.299  -1.128
  434   2HB   ASP  54          1HB       ASP  54  -3.146  -9.085   0.153
  435    H    LYS  55           H        LYS  55  -0.371  -9.113   1.528
  436    HA   LYS  55           HA       LYS  55  -0.215  -6.142   1.487
  437   1HB   LYS  55          2HB       LYS  55  -1.423  -7.343   3.287
  438   2HB   LYS  55          1HB       LYS  55   0.065  -8.189   3.712
  439   1HG   LYS  55          2HG       LYS  55   1.112  -6.203   4.465
  440   2HG   LYS  55          1HG       LYS  55  -0.069  -5.174   3.654
  441   1HD   LYS  55          2HD       LYS  55  -1.828  -6.190   5.190
  442   2HD   LYS  55          1HD       LYS  55  -0.497  -6.898   6.104
  443   1HE   LYS  55          2HE       LYS  55  -0.605  -3.932   5.498
  444   2HE   LYS  55          1HE       LYS  55  -1.343  -4.627   6.955
  445   1HZ   LYS  55          1HZ       LYS  55   0.958  -4.009   7.377
  446   2HZ   LYS  55          2HZ       LYS  55   1.480  -4.992   6.093
  447   3HZ   LYS  55          3HZ       LYS  55   0.771  -5.692   7.470
  448    H    GLN  56           H        GLN  56   1.832  -9.018   1.828
  449    HA   GLN  56           HA       GLN  56   4.212  -8.096   2.865
  450   1HB   GLN  56          2HB       GLN  56   3.371 -10.067   0.837
  451   2HB   GLN  56          1HB       GLN  56   5.076  -9.623   0.761
  452   1HG   GLN  56          2HG       GLN  56   4.997  -9.968   3.363
  453   2HG   GLN  56          1HG       GLN  56   3.556 -10.921   3.007
  454   1HE2  GLN  56          1HE2      GLN  56   6.856 -11.234   3.400
  455   2HE2  GLN  56          2HE2      GLN  56   7.115 -12.624   2.461
  456    HA   PRO  57           HA       PRO  57   5.766  -6.128  -1.160
  457   1HB   PRO  57          2HB       PRO  57   4.195  -6.061  -3.381
  458   2HB   PRO  57          1HB       PRO  57   5.244  -7.440  -2.995
  459   1HG   PRO  57          2HG       PRO  57   2.320  -7.135  -2.659
  460   2HG   PRO  57          1HG       PRO  57   3.258  -8.569  -3.096
  461   1HD   PRO  57          2HD       PRO  57   2.216  -8.060  -0.589
  462   2HD   PRO  57          1HD       PRO  57   3.572  -9.157  -0.929
  463    H    TYR  58           H        TYR  58   2.260  -5.751  -0.781
  464    HA   TYR  58           HA       TYR  58   2.280  -2.916  -1.527
  465   1HB   TYR  58          2HB       TYR  58   0.379  -5.067  -0.827
  466   2HB   TYR  58          1HB       TYR  58  -0.161  -3.443  -0.421
  467    HD1  TYR  58           1HD      TYR  58  -0.404  -1.717  -2.185
  468    HD2  TYR  58           2HD      TYR  58   0.661  -5.772  -3.121
  469    HE1  TYR  58           1HE      TYR  58  -0.956  -1.312  -4.569
  470    HE2  TYR  58           2HE      TYR  58   0.109  -5.368  -5.504
  471    HH   TYR  58           HH       TYR  58  -1.677  -3.359  -6.660
  472    H    GLU  59           H        GLU  59   3.417  -4.320   1.249
  473    HA   GLU  59           HA       GLU  59   2.188  -2.310   3.084
  474   1HB   GLU  59          2HB       GLU  59   3.154  -3.741   4.842
  475   2HB   GLU  59          1HB       GLU  59   2.204  -4.703   3.721
  476   1HG   GLU  59          2HG       GLU  59   4.010  -6.009   3.371
  477   2HG   GLU  59          1HG       GLU  59   4.828  -4.624   2.650
  478    H    GLN  60           H        GLN  60   5.161  -3.036   1.406
  479    HA   GLN  60           HA       GLN  60   6.882  -1.420   3.127
  480   1HB   GLN  60          2HB       GLN  60   8.520  -1.864   1.304
  481   2HB   GLN  60          1HB       GLN  60   7.713  -3.337   1.835
  482   1HG   GLN  60          2HG       GLN  60   6.397  -3.462  -0.092
  483   2HG   GLN  60          1HG       GLN  60   6.600  -1.754  -0.470
  484   1HE2  GLN  60          1HE2      GLN  60   7.949  -4.932  -0.934
  485   2HE2  GLN  60          2HE2      GLN  60   9.290  -4.450  -1.858
  486    H    LYS  61           H        LYS  61   4.802  -0.850   0.378
  487    HA   LYS  61           HA       LYS  61   5.971   1.549  -0.660
  488   1HB   LYS  61          2HB       LYS  61   4.231   0.186  -1.769
  489   2HB   LYS  61          1HB       LYS  61   3.081   0.615  -0.503
  490   1HG   LYS  61          2HG       LYS  61   3.039   2.898  -1.168
  491   2HG   LYS  61          1HG       LYS  61   4.476   2.712  -2.175
  492   1HD   LYS  61          2HD       LYS  61   3.107   1.022  -3.540
  493   2HD   LYS  61          1HD       LYS  61   1.696   1.642  -2.682
  494   1HE   LYS  61          2HE       LYS  61   3.596   3.549  -4.045
  495   2HE   LYS  61          1HE       LYS  61   2.301   2.752  -4.959
  496   1HZ   LYS  61          1HZ       LYS  61   1.959   4.306  -2.448
  497   2HZ   LYS  61          2HZ       LYS  61   0.717   3.496  -3.279
  498   3HZ   LYS  61          3HZ       LYS  61   1.503   4.820  -3.998
  499    H    ALA  62           H        ALA  62   3.571   1.003   1.920
  500    HA   ALA  62           HA       ALA  62   3.100   3.809   2.464
  501   1HB   ALA  62          1HB       ALA  62   2.399   2.499   4.739
  502   2HB   ALA  62          2HB       ALA  62   2.458   1.146   3.609
  503   3HB   ALA  62          3HB       ALA  62   1.395   2.517   3.290
  504    H    ALA  63           H        ALA  63   5.803   1.810   3.119
  505    HA   ALA  63           HA       ALA  63   6.563   3.174   5.625
  506   1HB   ALA  63          1HB       ALA  63   6.920   0.725   5.082
  507   2HB   ALA  63          2HB       ALA  63   8.379   1.578   5.590
  508   3HB   ALA  63          3HB       ALA  63   8.108   1.235   3.881
  509    H    LYS  64           H        LYS  64   6.595   4.156   2.461
  510    HA   LYS  64           HA       LYS  64   9.293   5.431   2.598
  511   1HB   LYS  64          2HB       LYS  64   7.291   4.772   0.427
  512   2HB   LYS  64          1HB       LYS  64   8.641   5.866   0.133
  513   1HG   LYS  64          2HG       LYS  64   8.937   3.047   1.206
  514   2HG   LYS  64          1HG       LYS  64   9.135   3.485  -0.491
  515   1HD   LYS  64          2HD       LYS  64  10.874   5.189   0.299
  516   2HD   LYS  64          1HD       LYS  64  10.813   4.374   1.862
  517   1HE   LYS  64          2HE       LYS  64  12.590   3.273   0.739
  518   2HE   LYS  64          1HE       LYS  64  11.210   2.192   0.462
  519   1HZ   LYS  64          1HZ       LYS  64  10.772   3.296  -1.622
  520   2HZ   LYS  64          2HZ       LYS  64  12.379   2.744  -1.613
  521   3HZ   LYS  64          3HZ       LYS  64  12.042   4.389  -1.359
  522    H    LEU  65           H        LEU  65   5.837   6.021   2.336
  523    HA   LEU  65           HA       LEU  65   6.071   8.911   1.957
  524   1HB   LEU  65          2HB       LEU  65   3.956   6.832   2.300
  525   2HB   LEU  65          1HB       LEU  65   3.509   8.500   2.657
  526    HG   LEU  65           HG       LEU  65   4.664   9.037   0.375
  527   1HD1  LEU  65          1HD1      LEU  65   4.294   7.049  -1.207
  528   2HD1  LEU  65          2HD1      LEU  65   4.214   6.050   0.244
  529   3HD1  LEU  65          3HD1      LEU  65   5.687   6.946  -0.130
  530   1HD2  LEU  65          1HD2      LEU  65   2.515   8.491  -0.813
  531   2HD2  LEU  65          2HD2      LEU  65   2.275   9.315   0.728
  532   3HD2  LEU  65          3HD2      LEU  65   2.016   7.575   0.608
  533    H    LYS  66           H        LYS  66   6.704   7.025   4.648
  534    HA   LYS  66           HA       LYS  66   5.426   8.819   6.627
  535   1HB   LYS  66          2HB       LYS  66   5.601   6.240   6.699
  536   2HB   LYS  66          1HB       LYS  66   7.296   6.494   7.113
  537   1HG   LYS  66          2HG       LYS  66   6.699   7.749   9.088
  538   2HG   LYS  66          1HG       LYS  66   4.996   7.754   8.628
  539   1HD   LYS  66          2HD       LYS  66   4.927   5.297   8.837
  540   2HD   LYS  66          1HD       LYS  66   6.630   5.288   9.296
  541   1HE   LYS  66          2HE       LYS  66   6.191   6.431  11.348
  542   2HE   LYS  66          1HE       LYS  66   4.549   6.868  10.834
  543   1HZ   LYS  66          1HZ       LYS  66   3.998   4.519  10.709
  544   2HZ   LYS  66          2HZ       LYS  66   4.517   4.920  12.276
  545   3HZ   LYS  66          3HZ       LYS  66   5.560   4.099  11.217
  546    H    GLU  67           H        GLU  67   8.518   8.247   5.083
  547    HA   GLU  67           HA       GLU  67  10.071   9.725   7.101
  548   1HB   GLU  67          2HB       GLU  67  10.506   8.201   4.573
  549   2HB   GLU  67          1HB       GLU  67  11.725   9.402   5.001
  550   1HG   GLU  67          2HG       GLU  67  11.902   8.361   7.262
  551   2HG   GLU  67          1HG       GLU  67  10.769   7.112   6.744
  552    H    LYS  68           H        LYS  68   8.141  10.530   4.364
  553    HA   LYS  68           HA       LYS  68   9.605  13.091   3.899
  554   1HB   LYS  68          2HB       LYS  68   8.472  11.186   2.226
  555   2HB   LYS  68          1HB       LYS  68   7.238  12.445   2.267
  556   1HG   LYS  68          2HG       LYS  68   9.238  14.079   1.876
  557   2HG   LYS  68          1HG       LYS  68  10.092  12.635   1.331
  558   1HD   LYS  68          2HD       LYS  68   9.130  13.446  -0.653
  559   2HD   LYS  68          1HD       LYS  68   7.975  12.220  -0.131
  560   1HE   LYS  68          2HE       LYS  68   6.593  14.081  -0.614
  561   2HE   LYS  68          1HE       LYS  68   6.829  14.217   1.140
  562   1HZ   LYS  68          1HZ       LYS  68   7.327  16.310  -0.012
  563   2HZ   LYS  68          2HZ       LYS  68   8.532  15.524  -0.917
  564   3HZ   LYS  68          3HZ       LYS  68   8.694  15.679   0.768
  565    H    TYR  69           H        TYR  69   6.559  11.714   5.007
  566    HA   TYR  69           HA       TYR  69   5.101  14.230   5.166
  567   1HB   TYR  69          2HB       TYR  69   4.011  12.042   4.926
  568   2HB   TYR  69          1HB       TYR  69   4.732  11.490   6.436
  569    HD1  TYR  69           1HD      TYR  69   1.983  13.278   4.917
  570    HD2  TYR  69           2HD      TYR  69   4.106  12.678   8.600
  571    HE1  TYR  69           1HE      TYR  69   0.061  14.211   6.176
  572    HE2  TYR  69           2HE      TYR  69   2.185  13.611   9.860
  573    HH   TYR  69           HH       TYR  69   0.083  15.429   8.925
  574    H    GLU  70           H        GLU  70   6.489  12.058   7.653
  575    HA   GLU  70           HA       GLU  70   6.105  13.863   9.856
  576   1HB   GLU  70          2HB       GLU  70   7.870  11.468   9.322
  577   2HB   GLU  70          1HB       GLU  70   7.843  12.276  10.890
  578   1HG   GLU  70          2HG       GLU  70   5.344  11.960  10.927
  579   2HG   GLU  70          1HG       GLU  70   5.502  10.977   9.471
  580    H    LYS  71           H        LYS  71   8.414  13.958   7.295
  581    HA   LYS  71           HA       LYS  71  10.356  15.518   8.941
  582   1HB   LYS  71          2HB       LYS  71  10.767  13.483   7.262
  583   2HB   LYS  71          1HB       LYS  71  10.778  14.785   6.072
  584   1HG   LYS  71          2HG       LYS  71  12.671  15.783   6.975
  585   2HG   LYS  71          1HG       LYS  71  12.385  15.112   8.581
  586   1HD   LYS  71          2HD       LYS  71  13.032  13.323   6.240
  587   2HD   LYS  71          1HD       LYS  71  14.310  14.091   7.182
  588   1HE   LYS  71          2HE       LYS  71  13.789  12.886   9.122
  589   2HE   LYS  71          1HE       LYS  71  12.120  12.582   8.599
  590   1HZ   LYS  71          1HZ       LYS  71  12.981  11.223   6.785
  591   2HZ   LYS  71          2HZ       LYS  71  13.480  10.607   8.288
  592   3HZ   LYS  71          3HZ       LYS  71  14.569  11.482   7.321
  593    H    ASP  72           H        ASP  72   8.155  15.773   6.184
  594    HA   ASP  72           HA       ASP  72   9.051  18.529   5.572
  595   1HB   ASP  72          2HB       ASP  72   8.457  16.676   3.904
  596   2HB   ASP  72          1HB       ASP  72   6.776  16.937   4.370
  597    H    ILE  73           H        ILE  73   6.312  16.857   7.073
  598    HA   ILE  73           HA       ILE  73   4.496  19.084   7.096
  599    HB   ILE  73           HB       ILE  73   4.065  16.588   7.444
  600   1HG1  ILE  73          2HG1      ILE  73   2.362  17.209   9.406
  601   2HG1  ILE  73          1HG1      ILE  73   2.883  18.844   8.997
  602   1HG2  ILE  73          1HG2      ILE  73   5.849  16.440   9.294
  603   2HG2  ILE  73          2HG2      ILE  73   4.317  15.622   9.598
  604   3HG2  ILE  73          3HG2      ILE  73   4.648  17.183  10.348
  605   1HD1  ILE  73          1HD1      ILE  73   0.924  18.247   7.655
  606   2HD1  ILE  73          2HD1      ILE  73   1.744  16.798   7.069
  607   3HD1  ILE  73          3HD1      ILE  73   2.338  18.394   6.611
  608    H    ALA  74           H        ALA  74   7.307  18.378   9.022
  609    HA   ALA  74           HA       ALA  74   6.627  19.843  11.409
  610   1HB   ALA  74          1HB       ALA  74   9.246  19.153  10.038
  611   2HB   ALA  74          2HB       ALA  74   8.458  18.250  11.332
  612   3HB   ALA  74          3HB       ALA  74   9.146  19.841  11.659
  613    H    ALA  75           H        ALA  75   8.437  20.765   8.466
  614    HA   ALA  75           HA       ALA  75   8.636  23.574   9.304
  615   1HB   ALA  75          1HB       ALA  75   9.887  23.776   7.238
  616   2HB   ALA  75          2HB       ALA  75   9.223  22.258   6.635
  617   3HB   ALA  75          3HB       ALA  75  10.347  22.250   7.994
  618    H    TYR  76           H        TYR  76   6.449  21.606   7.415
  619    HA   TYR  76           HA       TYR  76   5.303  23.610   5.718
  620   1HB   TYR  76          2HB       TYR  76   5.054  21.091   5.620
  621   2HB   TYR  76          1HB       TYR  76   3.950  21.208   6.991
  622    HD1  TYR  76           1HD      TYR  76   4.470  22.121   3.440
  623    HD2  TYR  76           2HD      TYR  76   1.718  22.093   6.738
  624    HE1  TYR  76           1HE      TYR  76   2.613  22.689   1.897
  625    HE2  TYR  76           2HE      TYR  76  -0.139  22.661   5.194
  626    HH   TYR  76           HH       TYR  76  -0.343  22.210   2.323
  627    H    ARG  77           H        ARG  77   4.610  22.640   9.064
  628    HA   ARG  77           HA       ARG  77   2.407  24.628   9.254
  629   1HB   ARG  77          2HB       ARG  77   3.508  22.396  10.969
  630   2HB   ARG  77          1HB       ARG  77   2.304  23.526  11.591
  631   1HG   ARG  77          2HG       ARG  77   0.898  22.961   9.540
  632   2HG   ARG  77          1HG       ARG  77   2.028  21.638   9.244
  633   1HD   ARG  77          2HD       ARG  77   1.403  20.496  11.208
  634   2HD   ARG  77          1HD       ARG  77   0.717  21.957  11.947
  635    HE   ARG  77           HE       ARG  77  -0.935  21.814   9.901
  636   1HH1  ARG  77          1HH1      ARG  77  -1.703  20.268  12.367
  637   2HH1  ARG  77          2HH1      ARG  77  -2.029  18.697  11.715
  638   1HH2  ARG  77          1HH2      ARG  77  -0.410  19.315   8.712
  639   2HH2  ARG  77          2HH2      ARG  77  -1.297  18.158   9.645
  640    H    ALA  78           H        ALA  78   5.535  25.145   9.204
  641    HA   ALA  78           HA       ALA  78   5.884  26.495  11.821
  642   1HB   ALA  78          1HB       ALA  78   7.685  25.130  10.857
  643   2HB   ALA  78          2HB       ALA  78   8.187  26.819  10.924
  644   3HB   ALA  78          3HB       ALA  78   7.668  26.115   9.393
  645    H    LYS  79           H        LYS  79   3.827  27.664  10.303
  646    HA   LYS  79           HA       LYS  79   4.690  29.829   8.611
  647   1HB   LYS  79          2HB       LYS  79   2.355  30.607   8.985
  648   2HB   LYS  79          1HB       LYS  79   2.422  28.884   8.618
  649   1HG   LYS  79          2HG       LYS  79   2.676  28.896  11.363
  650   2HG   LYS  79          1HG       LYS  79   1.574  30.244  11.089
  651   1HD   LYS  79          2HD       LYS  79   1.153  27.563   9.765
  652   2HD   LYS  79          1HD       LYS  79   0.510  27.916  11.370
  653   1HE   LYS  79          2HE       LYS  79  -0.521  30.032  10.295
  654   2HE   LYS  79          1HE       LYS  79  -0.188  29.240   8.742
  655   1HZ   LYS  79          1HZ       LYS  79  -1.323  27.253   9.588
  656   2HZ   LYS  79          2HZ       LYS  79  -2.365  28.593   9.527
  657   3HZ   LYS  79          3HZ       LYS  79  -1.719  28.083  11.013
  Start of MODEL    7
    1   1H    MET   1          1HT       MET   1  -8.831   6.237  -0.732
    2   2H    MET   1          2HT       MET   1  -9.023   7.563   0.314
    3   3H    MET   1          3HT       MET   1  -7.466   7.020  -0.099
    4    HA   MET   1           HA       MET   1  -7.825   7.671  -2.411
    5   1HB   MET   1          2HB       MET   1 -10.343   7.201  -2.003
    6   2HB   MET   1          1HB       MET   1 -10.413   8.859  -1.405
    7   1HG   MET   1          2HG       MET   1 -10.929   9.116  -3.681
    8   2HG   MET   1          1HG       MET   1  -9.199   9.459  -3.636
    9   1HE   MET   1          1HE       MET   1 -11.322   5.664  -5.051
   10   2HE   MET   1          2HE       MET   1 -11.961   7.290  -5.277
   11   3HE   MET   1          3HE       MET   1 -11.725   6.663  -3.648
   12    H    LYS   2           H        LYS   2  -6.662   9.534  -2.751
   13    HA   LYS   2           HA       LYS   2  -6.338  11.451  -0.536
   14   1HB   LYS   2          2HB       LYS   2  -4.980  10.638  -3.031
   15   2HB   LYS   2          1HB       LYS   2  -4.835  12.352  -2.639
   16   1HG   LYS   2          2HG       LYS   2  -4.412  11.133  -0.186
   17   2HG   LYS   2          1HG       LYS   2  -3.637  10.023  -1.310
   18   1HD   LYS   2          2HD       LYS   2  -2.609  12.209  -2.338
   19   2HD   LYS   2          1HD       LYS   2  -3.014  12.908  -0.769
   20   1HE   LYS   2          2HE       LYS   2  -1.678  10.281  -0.604
   21   2HE   LYS   2          1HE       LYS   2  -0.684  11.572  -1.305
   22   1HZ   LYS   2          1HZ       LYS   2  -1.297  13.006   0.542
   23   2HZ   LYS   2          2HZ       LYS   2  -0.548  11.593   1.117
   24   3HZ   LYS   2          3HZ       LYS   2  -2.234  11.767   1.224
   25    H    LYS   3           H        LYS   3  -6.288  13.862  -1.222
   26    HA   LYS   3           HA       LYS   3  -7.885  14.781  -3.432
   27   1HB   LYS   3          2HB       LYS   3  -9.355  13.632  -1.413
   28   2HB   LYS   3          1HB       LYS   3  -9.373  15.330  -0.937
   29   1HG   LYS   3          2HG       LYS   3 -10.093  15.898  -3.287
   30   2HG   LYS   3          1HG       LYS   3 -10.263  14.167  -3.590
   31   1HD   LYS   3          2HD       LYS   3 -12.409  14.566  -2.889
   32   2HD   LYS   3          1HD       LYS   3 -11.677  14.352  -1.299
   33   1HE   LYS   3          2HE       LYS   3 -11.783  16.605  -0.798
   34   2HE   LYS   3          1HE       LYS   3 -11.574  17.094  -2.493
   35   1HZ   LYS   3          1HZ       LYS   3 -13.853  17.447  -1.866
   36   2HZ   LYS   3          2HZ       LYS   3 -13.993  15.855  -1.288
   37   3HZ   LYS   3          3HZ       LYS   3 -13.790  16.145  -2.949
   38    H    LYS   4           H        LYS   4  -6.710  15.431  -0.144
   39    HA   LYS   4           HA       LYS   4  -6.895  18.210   0.042
   40   1HB   LYS   4          2HB       LYS   4  -5.003  16.100   0.983
   41   2HB   LYS   4          1HB       LYS   4  -4.531  17.783   1.225
   42   1HG   LYS   4          2HG       LYS   4  -7.308  16.924   1.970
   43   2HG   LYS   4          1HG       LYS   4  -5.970  16.548   3.057
   44   1HD   LYS   4          2HD       LYS   4  -5.354  19.090   2.666
   45   2HD   LYS   4          1HD       LYS   4  -7.062  19.220   2.250
   46   1HE   LYS   4          2HE       LYS   4  -7.634  18.133   4.440
   47   2HE   LYS   4          1HE       LYS   4  -5.911  18.184   4.865
   48   1HZ   LYS   4          1HZ       LYS   4  -7.566  20.526   4.078
   49   2HZ   LYS   4          2HZ       LYS   4  -5.914  20.566   4.474
   50   3HZ   LYS   4          3HZ       LYS   4  -7.064  20.166   5.657
   51    H    ASP   5           H        ASP   5  -3.778  16.708  -0.899
   52    HA   ASP   5           HA       ASP   5  -3.473  18.260  -3.330
   53   1HB   ASP   5          2HB       ASP   5  -3.150  19.657  -0.932
   54   2HB   ASP   5          1HB       ASP   5  -1.496  19.274  -1.409
   55    HA   PRO   6           HA       PRO   6  -0.276  15.233  -3.726
   56   1HB   PRO   6          2HB       PRO   6   1.322  16.382  -5.627
   57   2HB   PRO   6          1HB       PRO   6  -0.260  15.669  -6.000
   58   1HG   PRO   6          2HG       PRO   6   0.497  18.524  -5.656
   59   2HG   PRO   6          1HG       PRO   6  -0.643  17.786  -6.792
   60   1HD   PRO   6          2HD       PRO   6  -1.395  19.093  -4.512
   61   2HD   PRO   6          1HD       PRO   6  -2.361  17.820  -5.290
   62    H    ASN   7           H        ASN   7   0.666  18.605  -3.225
   63    HA   ASN   7           HA       ASN   7   3.399  17.991  -2.390
   64   1HB   ASN   7          2HB       ASN   7   1.573  20.394  -2.389
   65   2HB   ASN   7          1HB       ASN   7   3.170  20.469  -1.643
   66   1HD2  ASN   7          1HD2      ASN   7   4.710  21.265  -3.069
   67   2HD2  ASN   7          2HD2      ASN   7   4.718  21.006  -4.747
   68    H    ALA   8           H        ALA   8   0.295  18.037  -0.813
   69    HA   ALA   8           HA       ALA   8   1.533  18.226   1.894
   70   1HB   ALA   8          1HB       ALA   8  -0.897  18.351   2.556
   71   2HB   ALA   8          2HB       ALA   8  -1.315  18.231   0.847
   72   3HB   ALA   8          3HB       ALA   8  -0.406  19.622   1.437
   73    HA   PRO   9           HA       PRO   9   1.142  13.692   1.527
   74   1HB   PRO   9          2HB       PRO   9   2.995  13.068   3.430
   75   2HB   PRO   9          1HB       PRO   9   3.434  13.500   1.766
   76   1HG   PRO   9          2HG       PRO   9   3.541  15.142   4.238
   77   2HG   PRO   9          1HG       PRO   9   4.640  15.114   2.854
   78   1HD   PRO   9          2HD       PRO   9   2.717  17.033   3.281
   79   2HD   PRO   9          1HD       PRO   9   3.411  16.634   1.696
   80    H    LYS  10           H        LYS  10  -0.918  14.957   2.912
   81    HA   LYS  10           HA       LYS  10  -0.948  14.385   5.731
   82   1HB   LYS  10          2HB       LYS  10  -2.464  15.785   3.825
   83   2HB   LYS  10          1HB       LYS  10  -3.548  14.527   4.418
   84   1HG   LYS  10          2HG       LYS  10  -3.931  16.027   6.065
   85   2HG   LYS  10          1HG       LYS  10  -2.468  15.347   6.759
   86   1HD   LYS  10          2HD       LYS  10  -1.195  17.188   6.229
   87   2HD   LYS  10          1HD       LYS  10  -2.129  17.543   4.776
   88   1HE   LYS  10          2HE       LYS  10  -3.699  18.792   5.926
   89   2HE   LYS  10          1HE       LYS  10  -3.517  17.840   7.413
   90   1HZ   LYS  10          1HZ       LYS  10  -1.327  18.780   7.728
   91   2HZ   LYS  10          2HZ       LYS  10  -2.468  20.033   7.608
   92   3HZ   LYS  10          3HZ       LYS  10  -1.460  19.669   6.290
   93    H    ARG  11           H        ARG  11  -2.519  12.808   6.712
   94    HA   ARG  11           HA       ARG  11  -3.175  10.567   7.028
   95   1HB   ARG  11          2HB       ARG  11  -4.099  11.483   4.340
   96   2HB   ARG  11          1HB       ARG  11  -4.321   9.780   4.745
   97   1HG   ARG  11          2HG       ARG  11  -6.199  10.417   5.837
   98   2HG   ARG  11          1HG       ARG  11  -5.129  11.105   7.060
   99   1HD   ARG  11          2HD       ARG  11  -5.128  13.268   5.859
  100   2HD   ARG  11          1HD       ARG  11  -6.209  12.580   4.629
  101    HE   ARG  11           HE       ARG  11  -7.815  12.126   6.564
  102   1HH1  ARG  11          1HH1      ARG  11  -5.254  13.580   8.014
  103   2HH1  ARG  11          2HH1      ARG  11  -6.111  14.953   8.630
  104   1HH2  ARG  11          1HH2      ARG  11  -8.987  14.313   6.804
  105   2HH2  ARG  11          2HH2      ARG  11  -8.224  15.368   7.946
  106    HA   PRO  12           HA       PRO  12   0.520   8.687   5.096
  107   1HB   PRO  12          2HB       PRO  12   1.186   7.124   7.241
  108   2HB   PRO  12          1HB       PRO  12   1.683   8.821   7.091
  109   1HG   PRO  12          2HG       PRO  12  -0.519   7.628   8.691
  110   2HG   PRO  12          1HG       PRO  12   0.570   8.966   9.086
  111   1HD   PRO  12          2HD       PRO  12  -2.012   9.301   8.249
  112   2HD   PRO  12          1HD       PRO  12  -0.730  10.511   8.020
  113    HA   PRO  13           HA       PRO  13  -1.967   5.097   4.159
  114   1HB   PRO  13          2HB       PRO  13  -0.322   3.941   2.312
  115   2HB   PRO  13          1HB       PRO  13  -1.317   5.367   1.960
  116   1HG   PRO  13          2HG       PRO  13   1.587   5.169   2.456
  117   2HG   PRO  13          1HG       PRO  13   0.683   6.320   1.464
  118   1HD   PRO  13          2HD       PRO  13   1.716   6.799   4.017
  119   2HD   PRO  13          1HD       PRO  13   0.518   7.797   3.168
  120    H    SER  14           H        SER  14  -1.680   2.649   4.210
  121    HA   SER  14           HA       SER  14   0.730   1.586   5.513
  122   1HB   SER  14          2HB       SER  14  -0.331   1.113   7.620
  123   2HB   SER  14          1HB       SER  14  -0.662   2.805   7.262
  124    HG   SER  14           HG       SER  14  -2.356   0.558   7.059
  125    H    ALA  15           H        ALA  15   0.094   0.533   3.223
  126    HA   ALA  15           HA       ALA  15  -0.474  -1.445   2.125
  127   1HB   ALA  15          1HB       ALA  15   0.012  -3.170   3.502
  128   2HB   ALA  15          2HB       ALA  15  -1.547  -2.988   4.304
  129   3HB   ALA  15          3HB       ALA  15  -0.143  -2.095   4.889
  130    H    PHE  16           H        PHE  16  -2.927  -1.627   4.723
  131    HA   PHE  16           HA       PHE  16  -5.140  -2.221   3.112
  132   1HB   PHE  16          2HB       PHE  16  -4.788  -2.078   5.673
  133   2HB   PHE  16          1HB       PHE  16  -5.260  -0.389   5.505
  134    HD1  PHE  16           1HD      PHE  16  -7.477  -0.036   6.110
  135    HD2  PHE  16           2HD      PHE  16  -6.439  -3.610   3.968
  136    HE1  PHE  16           1HE      PHE  16  -9.866  -0.698   6.058
  137    HE2  PHE  16           2HE      PHE  16  -8.828  -4.274   3.916
  138    HZ   PHE  16           HZ       PHE  16 -10.542  -2.817   4.961
  139    H    PHE  17           H        PHE  17  -3.923   1.005   4.033
  140    HA   PHE  17           HA       PHE  17  -5.996   2.541   2.778
  141   1HB   PHE  17          2HB       PHE  17  -3.909   3.041   4.414
  142   2HB   PHE  17          1HB       PHE  17  -3.194   3.558   2.887
  143    HD1  PHE  17           1HD      PHE  17  -4.462   5.243   1.452
  144    HD2  PHE  17           2HD      PHE  17  -5.509   4.388   5.529
  145    HE1  PHE  17           1HE      PHE  17  -5.744   7.362   1.566
  146    HE2  PHE  17           2HE      PHE  17  -6.792   6.507   5.644
  147    HZ   PHE  17           HZ       PHE  17  -6.909   7.995   3.663
  148    H    LEU  18           H        LEU  18  -3.153   0.902   1.504
  149    HA   LEU  18           HA       LEU  18  -3.166   2.362  -1.043
  150   1HB   LEU  18          2HB       LEU  18  -1.759  -0.212  -0.260
  151   2HB   LEU  18          1HB       LEU  18  -1.303   0.894  -1.549
  152    HG   LEU  18           HG       LEU  18  -1.256   1.515   1.425
  153   1HD1  LEU  18          1HD1      LEU  18   1.240   1.724   0.899
  154   2HD1  LEU  18          2HD1      LEU  18   0.886   0.902  -0.620
  155   3HD1  LEU  18          3HD1      LEU  18   0.583   0.088   0.916
  156   1HD2  LEU  18          1HD2      LEU  18  -1.663   3.599   0.433
  157   2HD2  LEU  18          2HD2      LEU  18  -0.823   3.165  -1.056
  158   3HD2  LEU  18          3HD2      LEU  18   0.099   3.538   0.400
  159    H    PHE  19           H        PHE  19  -4.173  -0.838   0.161
  160    HA   PHE  19           HA       PHE  19  -4.904  -1.931  -2.410
  161   1HB   PHE  19          2HB       PHE  19  -4.400  -3.160  -0.262
  162   2HB   PHE  19          1HB       PHE  19  -5.960  -2.611   0.351
  163    HD1  PHE  19           1HD      PHE  19  -4.247  -4.881  -1.951
  164    HD2  PHE  19           2HD      PHE  19  -8.070  -3.376  -0.701
  165    HE1  PHE  19           1HE      PHE  19  -5.368  -6.758  -3.121
  166    HE2  PHE  19           2HE      PHE  19  -9.191  -5.253  -1.870
  167    HZ   PHE  19           HZ       PHE  19  -7.840  -6.944  -3.080
  168    H    CYS  20           H        CYS  20  -6.882  -0.534   0.235
  169    HA   CYS  20           HA       CYS  20  -9.388  -0.685  -1.176
  170   1HB   CYS  20          2HB       CYS  20  -8.988  -0.415   1.303
  171   2HB   CYS  20          1HB       CYS  20  -8.519   1.255   0.989
  172    HG   CYS  20           HG       CYS  20 -11.219   0.766   1.525
  173    H    SER  21           H        SER  21  -6.843   1.761  -1.028
  174    HA   SER  21           HA       SER  21  -8.398   3.782  -2.474
  175   1HB   SER  21          2HB       SER  21  -6.669   4.260  -0.750
  176   2HB   SER  21          1HB       SER  21  -5.444   3.581  -1.817
  177    HG   SER  21           HG       SER  21  -6.502   6.040  -1.804
  178    H    GLU  22           H        GLU  22  -6.972   0.944  -3.571
  179    HA   GLU  22           HA       GLU  22  -6.498   2.163  -6.263
  180   1HB   GLU  22          2HB       GLU  22  -4.840   0.234  -4.663
  181   2HB   GLU  22          1HB       GLU  22  -4.631   0.413  -6.402
  182   1HG   GLU  22          2HG       GLU  22  -4.607   2.819  -4.587
  183   2HG   GLU  22          1HG       GLU  22  -3.146   1.867  -4.845
  184    H    TYR  23           H        TYR  23  -8.386  -0.026  -4.572
  185    HA   TYR  23           HA       TYR  23  -8.550  -1.925  -6.883
  186   1HB   TYR  23          2HB       TYR  23  -8.910  -2.081  -3.923
  187   2HB   TYR  23          1HB       TYR  23  -9.892  -3.156  -4.918
  188    HD1  TYR  23           1HD      TYR  23  -8.991  -5.205  -5.572
  189    HD2  TYR  23           2HD      TYR  23  -6.346  -1.955  -4.624
  190    HE1  TYR  23           1HE      TYR  23  -7.038  -6.699  -5.897
  191    HE2  TYR  23           2HE      TYR  23  -4.395  -3.449  -4.949
  192    HH   TYR  23           HH       TYR  23  -4.383  -6.133  -6.567
  193    H    ARG  24           H        ARG  24 -10.375   0.359  -4.926
  194    HA   ARG  24           HA       ARG  24 -13.030  -0.305  -5.423
  195   1HB   ARG  24          2HB       ARG  24 -11.621   2.369  -5.344
  196   2HB   ARG  24          1HB       ARG  24 -13.376   2.190  -5.319
  197   1HG   ARG  24          2HG       ARG  24 -13.260   0.857  -3.285
  198   2HG   ARG  24          1HG       ARG  24 -11.498   0.894  -3.328
  199   1HD   ARG  24          2HD       ARG  24 -11.931   2.645  -1.838
  200   2HD   ARG  24          1HD       ARG  24 -11.907   3.534  -3.375
  201    HE   ARG  24           HE       ARG  24 -14.491   2.841  -3.329
  202   1HH1  ARG  24          1HH2      ARG  24 -14.142   2.156  -0.378
  203   2HH1  ARG  24          2HH2      ARG  24 -14.671   3.625   0.371
  204   1HH2  ARG  24          1HH1      ARG  24 -14.454   5.498  -2.539
  205   2HH2  ARG  24          2HH1      ARG  24 -14.848   5.517  -0.852
  206    HA   PRO  25           HA       PRO  25 -12.956   2.174  -9.616
  207   1HB   PRO  25          2HB       PRO  25 -10.510   2.267 -10.875
  208   2HB   PRO  25          1HB       PRO  25 -11.143   3.572  -9.849
  209   1HG   PRO  25          2HG       PRO  25  -9.253   1.363  -9.139
  210   2HG   PRO  25          1HG       PRO  25  -9.141   3.097  -8.774
  211   1HD   PRO  25          2HD       PRO  25  -9.971   1.407  -6.922
  212   2HD   PRO  25          1HD       PRO  25 -10.772   2.982  -7.100
  213    H    LYS  26           H        LYS  26 -10.820  -0.535  -8.961
  214    HA   LYS  26           HA       LYS  26 -11.106  -1.899 -11.501
  215   1HB   LYS  26          2HB       LYS  26  -9.425  -2.242  -9.571
  216   2HB   LYS  26          1HB       LYS  26 -10.727  -3.120  -8.760
  217   1HG   LYS  26          2HG       LYS  26  -9.956  -3.823 -11.584
  218   2HG   LYS  26          1HG       LYS  26  -9.035  -4.469 -10.225
  219   1HD   LYS  26          2HD       LYS  26 -11.349  -5.147  -9.260
  220   2HD   LYS  26          1HD       LYS  26 -11.938  -4.906 -10.905
  221   1HE   LYS  26          2HE       LYS  26  -9.503  -6.617 -10.385
  222   2HE   LYS  26          1HE       LYS  26 -11.141  -7.294 -10.276
  223   1HZ   LYS  26          1HZ       LYS  26 -10.061  -5.771 -12.590
  224   2HZ   LYS  26          2HZ       LYS  26 -11.621  -6.437 -12.475
  225   3HZ   LYS  26          3HZ       LYS  26 -10.262  -7.454 -12.539
  226    H    ILE  27           H        ILE  27 -12.764  -2.080  -8.373
  227    HA   ILE  27           HA       ILE  27 -14.615  -4.171  -8.939
  228    HB   ILE  27           HB       ILE  27 -14.866  -1.691  -7.191
  229   1HG1  ILE  27          2HG1      ILE  27 -12.849  -2.994  -6.654
  230   2HG1  ILE  27          1HG1      ILE  27 -14.043  -3.161  -5.375
  231   1HG2  ILE  27          1HG2      ILE  27 -16.396  -3.167  -5.839
  232   2HG2  ILE  27          2HG2      ILE  27 -16.352  -4.329  -7.165
  233   3HG2  ILE  27          3HG2      ILE  27 -17.030  -2.722  -7.423
  234   1HD1  ILE  27          1HD1      ILE  27 -13.325  -5.160  -7.520
  235   2HD1  ILE  27          2HD1      ILE  27 -14.808  -5.288  -6.576
  236   3HD1  ILE  27          3HD1      ILE  27 -13.241  -5.361  -5.769
  237    H    LYS  28           H        LYS  28 -14.654  -0.728  -9.709
  238    HA   LYS  28           HA       LYS  28 -17.466  -0.600 -10.362
  239   1HB   LYS  28          2HB       LYS  28 -15.384   1.257 -11.509
  240   2HB   LYS  28          1HB       LYS  28 -17.017   1.627 -10.976
  241   1HG   LYS  28          2HG       LYS  28 -14.531   1.254  -9.349
  242   2HG   LYS  28          1HG       LYS  28 -15.658   2.588  -9.317
  243   1HD   LYS  28          2HD       LYS  28 -16.069  -0.187  -8.148
  244   2HD   LYS  28          1HD       LYS  28 -15.907   1.328  -7.272
  245   1HE   LYS  28          2HE       LYS  28 -18.133   0.936  -9.290
  246   2HE   LYS  28          1HE       LYS  28 -18.313   0.453  -7.594
  247   1HZ   LYS  28          1HZ       LYS  28 -19.003   2.749  -7.898
  248   2HZ   LYS  28          2HZ       LYS  28 -17.486   3.141  -8.554
  249   3HZ   LYS  28          3HZ       LYS  28 -17.615   2.673  -6.927
  250    H    SER  29           H        SER  29 -14.536  -1.138 -12.308
  251    HA   SER  29           HA       SER  29 -15.648  -0.950 -14.907
  252   1HB   SER  29          2HB       SER  29 -13.233  -1.226 -14.197
  253   2HB   SER  29          1HB       SER  29 -13.571  -2.934 -13.932
  254    HG   SER  29           HG       SER  29 -13.713  -3.240 -16.037
  255    H    GLU  30           H        GLU  30 -15.956  -3.490 -12.504
  256    HA   GLU  30           HA       GLU  30 -17.461  -5.178 -14.477
  257   1HB   GLU  30          2HB       GLU  30 -15.451  -5.653 -12.393
  258   2HB   GLU  30          1HB       GLU  30 -16.848  -6.713 -12.232
  259   1HG   GLU  30          2HG       GLU  30 -15.470  -6.305 -14.887
  260   2HG   GLU  30          1HG       GLU  30 -14.932  -7.535 -13.744
  261    H    HIS  31           H        HIS  31 -17.607  -3.513 -11.408
  262    HA   HIS  31           HA       HIS  31 -20.424  -4.494 -11.036
  263   1HB   HIS  31          2HB       HIS  31 -18.549  -3.476  -8.877
  264   2HB   HIS  31          1HB       HIS  31 -20.068  -4.334  -8.658
  265    HD1  HIS  31           1HD      HIS  31 -16.454  -4.863  -9.359
  266    HD2  HIS  31           2HD      HIS  31 -19.926  -7.168  -9.231
  267    HE1  HIS  31           1HE      HIS  31 -15.706  -7.279  -9.358
  268    HA   PRO  32           HA       PRO  32 -20.723   0.005 -11.755
  269   1HB   PRO  32          2HB       PRO  32 -23.220  -0.060 -12.872
  270   2HB   PRO  32          1HB       PRO  32 -21.738  -0.358 -13.796
  271   1HG   PRO  32          2HG       PRO  32 -23.736  -2.284 -12.762
  272   2HG   PRO  32          1HG       PRO  32 -22.773  -2.339 -14.245
  273   1HD   PRO  32          2HD       PRO  32 -22.229  -3.784 -11.962
  274   2HD   PRO  32          1HD       PRO  32 -21.042  -3.393 -13.224
  275    H    GLY  33           H        GLY  33 -23.294  -2.147 -10.554
  276   1HA   GLY  33          2HA       GLY  33 -24.681  -0.113  -9.055
  277   2HA   GLY  33          1HA       GLY  33 -24.871  -1.852  -8.846
  278    H    LEU  34           H        LEU  34 -21.803  -1.953  -8.451
  279    HA   LEU  34           HA       LEU  34 -21.709  -2.131  -5.634
  280   1HB   LEU  34          2HB       LEU  34 -19.951  -2.309  -7.917
  281   2HB   LEU  34          1HB       LEU  34 -19.126  -1.440  -6.631
  282    HG   LEU  34           HG       LEU  34 -18.772  -3.915  -6.543
  283   1HD1  LEU  34          1HD1      LEU  34 -19.901  -2.263  -4.359
  284   2HD1  LEU  34          2HD1      LEU  34 -18.360  -3.115  -4.453
  285   3HD1  LEU  34          3HD1      LEU  34 -19.834  -3.999  -4.055
  286   1HD2  LEU  34          1HD2      LEU  34 -20.488  -5.427  -6.385
  287   2HD2  LEU  34          2HD2      LEU  34 -21.401  -4.147  -7.181
  288   3HD2  LEU  34          3HD2      LEU  34 -21.495  -4.338  -5.431
  289    H    SER  35           H        SER  35 -22.756  -0.123  -4.868
  290    HA   SER  35           HA       SER  35 -21.577   2.492  -5.339
  291   1HB   SER  35          2HB       SER  35 -23.148   3.120  -3.498
  292   2HB   SER  35          1HB       SER  35 -23.932   2.146  -4.738
  293    HG   SER  35           HG       SER  35 -24.481   1.095  -2.946
  294    H    ILE  36           H        ILE  36 -20.875   3.785  -3.238
  295    HA   ILE  36           HA       ILE  36 -18.411   2.766  -2.274
  296    HB   ILE  36           HB       ILE  36 -20.330   4.803  -1.091
  297   1HG1  ILE  36          2HG1      ILE  36 -19.620   5.307  -3.404
  298   2HG1  ILE  36          1HG1      ILE  36 -18.896   6.442  -2.269
  299   1HG2  ILE  36          1HG2      ILE  36 -18.773   4.237   0.634
  300   2HG2  ILE  36          2HG2      ILE  36 -18.169   5.729  -0.087
  301   3HG2  ILE  36          3HG2      ILE  36 -17.424   4.185  -0.502
  302   1HD1  ILE  36          1HD1      ILE  36 -16.839   4.958  -2.248
  303   2HD1  ILE  36          2HD1      ILE  36 -17.157   5.757  -3.788
  304   3HD1  ILE  36          3HD1      ILE  36 -17.565   4.054  -3.578
  305    H    GLY  37           H        GLY  37 -21.685   2.434  -0.976
  306   1HA   GLY  37          2HA       GLY  37 -21.052   1.472   1.622
  307   2HA   GLY  37          1HA       GLY  37 -22.524   1.066   0.738
  308    H    ASP  38           H        ASP  38 -22.045  -0.544  -1.168
  309    HA   ASP  38           HA       ASP  38 -21.031  -2.992  -0.019
  310   1HB   ASP  38          2HB       ASP  38 -22.162  -2.005  -2.589
  311   2HB   ASP  38          1HB       ASP  38 -21.226  -3.498  -2.674
  312    H    THR  39           H        THR  39 -19.675  -0.613  -2.281
  313    HA   THR  39           HA       THR  39 -17.350  -2.103  -3.072
  314    HB   THR  39           HB       THR  39 -17.845   0.882  -2.813
  315    HG1  THR  39           1HG      THR  39 -18.740   0.714  -4.735
  316   1HG2  THR  39          1HG2      THR  39 -15.702  -0.711  -4.241
  317   2HG2  THR  39          2HG2      THR  39 -15.478   0.547  -3.026
  318   3HG2  THR  39          3HG2      THR  39 -16.067   0.970  -4.634
  319    H    ALA  40           H        ALA  40 -18.089  -0.164  -0.228
  320    HA   ALA  40           HA       ALA  40 -15.340   0.004   0.730
  321   1HB   ALA  40          1HB       ALA  40 -18.049   0.352   2.059
  322   2HB   ALA  40          2HB       ALA  40 -17.075   1.630   1.333
  323   3HB   ALA  40          3HB       ALA  40 -16.511   0.811   2.789
  324    H    LYS  41           H        LYS  41 -18.177  -2.008   1.545
  325    HA   LYS  41           HA       LYS  41 -16.596  -3.634   3.408
  326   1HB   LYS  41          2HB       LYS  41 -18.744  -4.706   3.850
  327   2HB   LYS  41          1HB       LYS  41 -18.947  -2.958   3.824
  328   1HG   LYS  41          2HG       LYS  41 -19.599  -3.243   1.351
  329   2HG   LYS  41          1HG       LYS  41 -19.729  -4.963   1.704
  330   1HD   LYS  41          2HD       LYS  41 -21.924  -3.988   1.982
  331   2HD   LYS  41          1HD       LYS  41 -21.302  -4.387   3.582
  332   1HE   LYS  41          2HE       LYS  41 -20.374  -1.779   3.154
  333   2HE   LYS  41          1HE       LYS  41 -22.021  -1.771   2.493
  334   1HZ   LYS  41          1HZ       LYS  41 -22.073  -1.374   4.873
  335   2HZ   LYS  41          2HZ       LYS  41 -21.217  -2.814   5.159
  336   3HZ   LYS  41          3HZ       LYS  41 -22.789  -2.869   4.517
  337    H    LYS  42           H        LYS  42 -17.206  -3.767  -0.003
  338    HA   LYS  42           HA       LYS  42 -17.021  -6.709  -0.160
  339   1HB   LYS  42          2HB       LYS  42 -18.451  -5.271  -1.644
  340   2HB   LYS  42          1HB       LYS  42 -16.982  -4.547  -2.293
  341   1HG   LYS  42          2HG       LYS  42 -17.854  -6.349  -3.756
  342   2HG   LYS  42          1HG       LYS  42 -16.252  -6.738  -3.136
  343   1HD   LYS  42          2HD       LYS  42 -17.025  -8.468  -1.846
  344   2HD   LYS  42          1HD       LYS  42 -18.539  -7.644  -1.471
  345   1HE   LYS  42          2HE       LYS  42 -19.611  -8.474  -3.339
  346   2HE   LYS  42          1HE       LYS  42 -18.122  -8.507  -4.304
  347   1HZ   LYS  42          1HZ       LYS  42 -17.310 -10.300  -2.849
  348   2HZ   LYS  42          2HZ       LYS  42 -18.714 -10.747  -3.696
  349   3HZ   LYS  42          3HZ       LYS  42 -18.808 -10.323  -2.054
  350    H    LEU  43           H        LEU  43 -14.767  -4.444   0.568
  351    HA   LEU  43           HA       LEU  43 -12.639  -5.504  -1.231
  352   1HB   LEU  43          2HB       LEU  43 -13.164  -3.050   0.364
  353   2HB   LEU  43          1HB       LEU  43 -11.478  -3.552   0.248
  354    HG   LEU  43           HG       LEU  43 -13.249  -3.359  -2.190
  355   1HD1  LEU  43          1HD1      LEU  43 -11.451  -1.206  -1.030
  356   2HD1  LEU  43          2HD1      LEU  43 -13.214  -1.155  -1.060
  357   3HD1  LEU  43          3HD1      LEU  43 -12.305  -1.118  -2.571
  358   1HD2  LEU  43          1HD2      LEU  43 -10.945  -3.005  -3.230
  359   2HD2  LEU  43          2HD2      LEU  43 -11.237  -4.610  -2.562
  360   3HD2  LEU  43          3HD2      LEU  43 -10.268  -3.443  -1.662
  361    H    GLY  44           H        GLY  44 -13.746  -5.436   2.107
  362   1HA   GLY  44          2HA       GLY  44 -11.316  -6.420   3.314
  363   2HA   GLY  44          1HA       GLY  44 -12.923  -6.481   4.042
  364    H    GLU  45           H        GLU  45 -14.024  -7.919   1.659
  365    HA   GLU  45           HA       GLU  45 -13.794 -10.609   2.542
  366   1HB   GLU  45          2HB       GLU  45 -15.394  -9.277   0.864
  367   2HB   GLU  45          1HB       GLU  45 -14.306  -9.969  -0.339
  368   1HG   GLU  45          2HG       GLU  45 -14.794 -12.203   0.369
  369   2HG   GLU  45          1HG       GLU  45 -15.627 -11.632   1.816
  370    H    MET  46           H        MET  46 -12.287  -9.099  -0.343
  371    HA   MET  46           HA       MET  46 -10.578 -11.353  -0.936
  372   1HB   MET  46          2HB       MET  46 -10.556  -8.408  -1.670
  373   2HB   MET  46          1HB       MET  46  -9.449  -9.586  -2.378
  374   1HG   MET  46          2HG       MET  46 -11.427 -10.928  -3.118
  375   2HG   MET  46          1HG       MET  46 -12.475  -9.641  -2.526
  376   1HE   MET  46          1HE       MET  46 -13.055 -10.444  -5.083
  377   2HE   MET  46          2HE       MET  46 -11.513 -10.999  -5.728
  378   3HE   MET  46          3HE       MET  46 -12.353  -9.659  -6.505
  379    H    TRP  47           H        TRP  47  -9.901  -8.146   0.516
  380    HA   TRP  47           HA       TRP  47  -7.183  -8.442   1.146
  381   1HB   TRP  47          2HB       TRP  47  -8.681  -6.435   1.430
  382   2HB   TRP  47          1HB       TRP  47  -9.317  -7.184   2.895
  383    HD1  TRP  47           HD       TRP  47  -8.174  -6.344   4.989
  384    HE1  TRP  47           1HE      TRP  47  -5.817  -5.506   5.609
  385    HE3  TRP  47           3HE      TRP  47  -5.858  -6.800   0.461
  386    HZ2  TRP  47           2HZ      TRP  47  -3.282  -5.084   4.349
  387    HZ3  TRP  47           3HZ      TRP  47  -3.473  -6.175   0.200
  388    HH2  TRP  47           HH       TRP  47  -2.185  -5.317   2.135
  389    H    SER  48           H        SER  48  -9.874  -9.150   3.423
  390    HA   SER  48           HA       SER  48  -8.296 -10.365   5.455
  391   1HB   SER  48          2HB       SER  48 -10.668  -9.583   5.611
  392   2HB   SER  48          1HB       SER  48 -11.157 -10.961   4.628
  393    HG   SER  48           HG       SER  48 -11.376 -11.596   6.723
  394    H    GLU  49           H        GLU  49  -9.737 -11.725   2.516
  395    HA   GLU  49           HA       GLU  49  -9.377 -14.503   3.090
  396   1HB   GLU  49          2HB       GLU  49  -9.856 -12.730   0.776
  397   2HB   GLU  49          1HB       GLU  49  -9.061 -14.249   0.364
  398   1HG   GLU  49          2HG       GLU  49 -10.838 -15.490   1.570
  399   2HG   GLU  49          1HG       GLU  49 -11.648 -13.962   1.920
  400    H    GLN  50           H        GLN  50  -7.209 -12.103   1.600
  401    HA   GLN  50           HA       GLN  50  -5.070 -13.841   0.862
  402   1HB   GLN  50          2HB       GLN  50  -5.175 -10.945   1.758
  403   2HB   GLN  50          1HB       GLN  50  -3.745 -11.693   1.046
  404   1HG   GLN  50          2HG       GLN  50  -6.405 -11.847  -0.357
  405   2HG   GLN  50          1HG       GLN  50  -5.385 -10.418  -0.527
  406   1HE2  GLN  50          1HE2      GLN  50  -4.776 -10.820  -2.743
  407   2HE2  GLN  50          2HE2      GLN  50  -3.810 -12.140  -3.193
  408    H    SER  51           H        SER  51  -3.064 -14.253   1.969
  409    HA   SER  51           HA       SER  51  -3.335 -14.324   4.949
  410   1HB   SER  51          2HB       SER  51  -1.495 -15.872   3.097
  411   2HB   SER  51          1HB       SER  51  -1.825 -16.223   4.791
  412    HG   SER  51           HG       SER  51  -3.403 -16.619   2.518
  413    H    ALA  52           H        ALA  52  -0.440 -14.811   5.244
  414    HA   ALA  52           HA       ALA  52   0.468 -12.025   5.286
  415   1HB   ALA  52          1HB       ALA  52   1.729 -14.694   5.996
  416   2HB   ALA  52          2HB       ALA  52   0.974 -13.555   7.111
  417   3HB   ALA  52          3HB       ALA  52   2.489 -13.134   6.312
  418    H    LYS  53           H        LYS  53   0.075 -12.361   2.662
  419    HA   LYS  53           HA       LYS  53   2.827 -12.689   1.540
  420   1HB   LYS  53          2HB       LYS  53   0.873 -14.596   1.331
  421   2HB   LYS  53          1HB       LYS  53   0.563 -13.639  -0.117
  422   1HG   LYS  53          2HG       LYS  53   2.827 -13.935  -0.891
  423   2HG   LYS  53          1HG       LYS  53   3.306 -14.679   0.636
  424   1HD   LYS  53          2HD       LYS  53   1.484 -16.441   0.129
  425   2HD   LYS  53          1HD       LYS  53   1.516 -15.807  -1.517
  426   1HE   LYS  53          2HE       LYS  53   3.108 -17.548  -1.611
  427   2HE   LYS  53          1HE       LYS  53   4.126 -16.129  -1.291
  428   1HZ   LYS  53          1HZ       LYS  53   4.594 -17.918   0.284
  429   2HZ   LYS  53          2HZ       LYS  53   2.967 -17.925   0.777
  430   3HZ   LYS  53          3HZ       LYS  53   3.943 -16.566   1.075
  431    H    ASP  54           H        ASP  54  -0.532 -11.768   0.691
  432    HA   ASP  54           HA       ASP  54   0.138  -9.988  -1.444
  433   1HB   ASP  54          2HB       ASP  54  -2.102 -11.050  -0.727
  434   2HB   ASP  54          1HB       ASP  54  -2.228  -9.714   0.418
  435    H    LYS  55           H        LYS  55   0.165  -9.552   2.041
  436    HA   LYS  55           HA       LYS  55   0.220  -6.622   1.930
  437   1HB   LYS  55          2HB       LYS  55   0.404  -8.800   3.973
  438   2HB   LYS  55          1HB       LYS  55   0.982  -7.197   4.419
  439   1HG   LYS  55          2HG       LYS  55  -1.230  -6.280   3.589
  440   2HG   LYS  55          1HG       LYS  55  -1.789  -7.949   3.462
  441   1HD   LYS  55          2HD       LYS  55  -2.505  -7.279   5.612
  442   2HD   LYS  55          1HD       LYS  55  -1.019  -8.180   5.924
  443   1HE   LYS  55          2HE       LYS  55   0.134  -5.821   5.675
  444   2HE   LYS  55          1HE       LYS  55  -1.490  -5.214   6.058
  445   1HZ   LYS  55          1HZ       LYS  55  -0.084  -7.316   7.617
  446   2HZ   LYS  55          2HZ       LYS  55  -1.562  -6.573   8.006
  447   3HZ   LYS  55          3HZ       LYS  55  -0.118  -5.678   8.057
  448    H    GLN  56           H        GLN  56   2.588  -9.249   2.228
  449    HA   GLN  56           HA       GLN  56   4.907  -8.008   3.082
  450   1HB   GLN  56          2HB       GLN  56   4.171 -10.185   1.229
  451   2HB   GLN  56          1HB       GLN  56   5.805  -9.561   1.004
  452   1HG   GLN  56          2HG       GLN  56   4.702 -10.347   3.712
  453   2HG   GLN  56          1HG       GLN  56   5.597 -11.463   2.679
  454   1HE2  GLN  56          1HE2      GLN  56   7.877 -11.294   2.670
  455   2HE2  GLN  56          2HE2      GLN  56   8.739 -10.090   3.499
  456    HA   PRO  57           HA       PRO  57   5.905  -6.169  -1.187
  457   1HB   PRO  57          2HB       PRO  57   4.089  -6.321  -3.207
  458   2HB   PRO  57          1HB       PRO  57   5.280  -7.598  -2.891
  459   1HG   PRO  57          2HG       PRO  57   2.398  -7.497  -2.236
  460   2HG   PRO  57          1HG       PRO  57   3.398  -8.878  -2.705
  461   1HD   PRO  57          2HD       PRO  57   2.595  -8.295  -0.124
  462   2HD   PRO  57          1HD       PRO  57   3.979  -9.322  -0.556
  463    H    TYR  58           H        TYR  58   2.413  -6.003  -0.509
  464    HA   TYR  58           HA       TYR  58   2.208  -3.193  -1.312
  465   1HB   TYR  58          2HB       TYR  58   0.523  -5.426  -0.921
  466   2HB   TYR  58          1HB       TYR  58   0.001  -4.233   0.266
  467    HD1  TYR  58           1HD      TYR  58  -1.720  -2.852  -0.460
  468    HD2  TYR  58           2HD      TYR  58   1.231  -4.174  -3.286
  469    HE1  TYR  58           1HE      TYR  58  -2.862  -1.572  -2.251
  470    HE2  TYR  58           2HE      TYR  58   0.089  -2.894  -5.077
  471    HH   TYR  58           HH       TYR  58  -1.684  -0.573  -4.831
  472    H    GLU  59           H        GLU  59   3.625  -4.468   1.399
  473    HA   GLU  59           HA       GLU  59   2.436  -2.490   3.286
  474   1HB   GLU  59          2HB       GLU  59   3.648  -3.806   4.979
  475   2HB   GLU  59          1HB       GLU  59   2.687  -4.866   3.957
  476   1HG   GLU  59          2HG       GLU  59   4.549  -6.034   3.455
  477   2HG   GLU  59          1HG       GLU  59   5.217  -4.595   2.686
  478    H    GLN  60           H        GLN  60   5.309  -3.087   1.386
  479    HA   GLN  60           HA       GLN  60   7.055  -1.287   2.880
  480   1HB   GLN  60          2HB       GLN  60   8.565  -1.720   0.982
  481   2HB   GLN  60          1HB       GLN  60   7.826  -3.223   1.523
  482   1HG   GLN  60          2HG       GLN  60   6.003  -2.442  -0.337
  483   2HG   GLN  60          1HG       GLN  60   7.468  -1.747  -1.027
  484   1HE2  GLN  60          1HE2      GLN  60   8.084  -3.220  -2.638
  485   2HE2  GLN  60          2HE2      GLN  60   8.271  -4.889  -2.390
  486    H    LYS  61           H        LYS  61   4.745  -0.977   0.261
  487    HA   LYS  61           HA       LYS  61   5.606   1.464  -0.933
  488   1HB   LYS  61          2HB       LYS  61   3.857  -0.058  -1.802
  489   2HB   LYS  61          1HB       LYS  61   2.815   0.363  -0.444
  490   1HG   LYS  61          2HG       LYS  61   2.498   2.569  -1.213
  491   2HG   LYS  61          1HG       LYS  61   3.910   2.500  -2.269
  492   1HD   LYS  61          2HD       LYS  61   2.709   0.717  -3.602
  493   2HD   LYS  61          1HD       LYS  61   1.271   1.059  -2.640
  494   1HE   LYS  61          2HE       LYS  61   1.385   3.448  -3.369
  495   2HE   LYS  61          1HE       LYS  61   2.756   3.030  -4.415
  496   1HZ   LYS  61          1HZ       LYS  61   0.647   2.876  -5.617
  497   2HZ   LYS  61          2HZ       LYS  61   0.078   1.739  -4.490
  498   3HZ   LYS  61          3HZ       LYS  61   1.395   1.360  -5.494
  499    H    ALA  62           H        ALA  62   3.495   0.882   1.893
  500    HA   ALA  62           HA       ALA  62   2.914   3.671   2.391
  501   1HB   ALA  62          1HB       ALA  62   2.345   2.621   4.700
  502   2HB   ALA  62          2HB       ALA  62   2.773   1.087   3.944
  503   3HB   ALA  62          3HB       ALA  62   1.447   2.050   3.294
  504    H    ALA  63           H        ALA  63   5.785   1.834   2.837
  505    HA   ALA  63           HA       ALA  63   6.757   3.338   5.173
  506   1HB   ALA  63          1HB       ALA  63   7.233   0.911   4.625
  507   2HB   ALA  63          2HB       ALA  63   8.674   1.883   4.925
  508   3HB   ALA  63          3HB       ALA  63   8.212   1.477   3.273
  509    H    LYS  64           H        LYS  64   6.302   4.249   2.031
  510    HA   LYS  64           HA       LYS  64   8.886   5.737   1.806
  511   1HB   LYS  64          2HB       LYS  64   6.707   4.863  -0.102
  512   2HB   LYS  64          1HB       LYS  64   7.897   6.075  -0.568
  513   1HG   LYS  64          2HG       LYS  64   8.600   3.320   0.481
  514   2HG   LYS  64          1HG       LYS  64   8.539   3.738  -1.232
  515   1HD   LYS  64          2HD       LYS  64  10.184   5.622  -0.681
  516   2HD   LYS  64          1HD       LYS  64  10.405   4.833   0.880
  517   1HE   LYS  64          2HE       LYS  64  11.434   2.958  -0.061
  518   2HE   LYS  64          1HE       LYS  64  10.660   3.204  -1.640
  519   1HZ   LYS  64          1HZ       LYS  64  11.937   5.249  -1.899
  520   2HZ   LYS  64          2HZ       LYS  64  12.971   3.915  -1.706
  521   3HZ   LYS  64          3HZ       LYS  64  12.704   4.981  -0.411
  522    H    LEU  65           H        LEU  65   5.377   6.047   1.918
  523    HA   LEU  65           HA       LEU  65   5.406   8.970   1.612
  524   1HB   LEU  65          2HB       LEU  65   3.436   6.750   1.980
  525   2HB   LEU  65          1HB       LEU  65   2.917   8.380   2.407
  526    HG   LEU  65           HG       LEU  65   3.797   9.108   0.119
  527   1HD1  LEU  65          1HD1      LEU  65   3.927   7.280  -1.569
  528   2HD1  LEU  65          2HD1      LEU  65   3.769   6.099  -0.268
  529   3HD1  LEU  65          3HD1      LEU  65   5.187   7.145  -0.341
  530   1HD2  LEU  65          1HD2      LEU  65   1.715   8.676  -0.879
  531   2HD2  LEU  65          2HD2      LEU  65   1.350   8.518   0.838
  532   3HD2  LEU  65          3HD2      LEU  65   1.590   7.076  -0.149
  533    H    LYS  66           H        LYS  66   6.210   6.913   4.156
  534    HA   LYS  66           HA       LYS  66   4.962   8.443   6.331
  535   1HB   LYS  66          2HB       LYS  66   5.380   6.002   6.436
  536   2HB   LYS  66          1HB       LYS  66   7.110   6.294   6.263
  537   1HG   LYS  66          2HG       LYS  66   6.994   6.183   8.562
  538   2HG   LYS  66          1HG       LYS  66   6.658   7.902   8.353
  539   1HD   LYS  66          2HD       LYS  66   4.297   7.560   8.561
  540   2HD   LYS  66          1HD       LYS  66   4.473   5.809   8.432
  541   1HE   LYS  66          2HE       LYS  66   5.865   5.907  10.570
  542   2HE   LYS  66          1HE       LYS  66   5.313   7.585  10.741
  543   1HZ   LYS  66          1HZ       LYS  66   3.786   6.084  11.856
  544   2HZ   LYS  66          2HZ       LYS  66   3.568   5.199  10.422
  545   3HZ   LYS  66          3HZ       LYS  66   3.025   6.806  10.523
  546    H    GLU  67           H        GLU  67   8.085   8.200   4.680
  547    HA   GLU  67           HA       GLU  67   9.594   9.836   6.527
  548   1HB   GLU  67          2HB       GLU  67   9.823   8.815   3.722
  549   2HB   GLU  67          1HB       GLU  67  10.905  10.121   4.208
  550   1HG   GLU  67          2HG       GLU  67  11.646   8.780   6.148
  551   2HG   GLU  67          1HG       GLU  67  10.581   7.468   5.643
  552    H    LYS  68           H        LYS  68   8.380  10.629   3.249
  553    HA   LYS  68           HA       LYS  68   8.751  13.435   3.406
  554   1HB   LYS  68          2HB       LYS  68   6.883  11.626   1.863
  555   2HB   LYS  68          1HB       LYS  68   6.943  13.365   1.575
  556   1HG   LYS  68          2HG       LYS  68   9.442  13.125   1.238
  557   2HG   LYS  68          1HG       LYS  68   9.206  11.377   1.271
  558   1HD   LYS  68          2HD       LYS  68   7.723  11.483  -0.647
  559   2HD   LYS  68          1HD       LYS  68   7.768  13.246  -0.631
  560   1HE   LYS  68          2HE       LYS  68  10.357  12.948  -0.875
  561   2HE   LYS  68          1HE       LYS  68   9.939  11.317  -1.435
  562   1HZ   LYS  68          1HZ       LYS  68   8.368  12.305  -2.997
  563   2HZ   LYS  68          2HZ       LYS  68   9.943  12.872  -3.285
  564   3HZ   LYS  68          3HZ       LYS  68   8.813  13.859  -2.488
  565    H    TYR  69           H        TYR  69   6.311  11.452   4.928
  566    HA   TYR  69           HA       TYR  69   4.321  13.582   5.196
  567   1HB   TYR  69          2HB       TYR  69   3.632  11.260   5.144
  568   2HB   TYR  69          1HB       TYR  69   4.739  10.846   6.448
  569    HD1  TYR  69           1HD      TYR  69   2.436  13.800   6.203
  570    HD2  TYR  69           2HD      TYR  69   3.307  10.078   8.166
  571    HE1  TYR  69           1HE      TYR  69   0.660  14.261   7.869
  572    HE2  TYR  69           2HE      TYR  69   1.533  10.543   9.832
  573    HH   TYR  69           HH       TYR  69   0.356  13.289  10.544
  574    H    GLU  70           H        GLU  70   6.329  11.833   7.598
  575    HA   GLU  70           HA       GLU  70   5.939  13.887   9.632
  576   1HB   GLU  70          2HB       GLU  70   7.392  11.303   9.282
  577   2HB   GLU  70          1HB       GLU  70   7.927  12.362  10.588
  578   1HG   GLU  70          2HG       GLU  70   5.495  12.515  11.309
  579   2HG   GLU  70          1HG       GLU  70   5.158  11.218  10.161
  580    H    LYS  71           H        LYS  71   7.899  13.911   6.890
  581    HA   LYS  71           HA       LYS  71  10.047  15.487   8.265
  582   1HB   LYS  71          2HB       LYS  71  10.588  13.364   6.999
  583   2HB   LYS  71          1HB       LYS  71  10.057  14.183   5.530
  584   1HG   LYS  71          2HG       LYS  71  11.739  16.060   6.437
  585   2HG   LYS  71          1HG       LYS  71  12.493  14.652   7.187
  586   1HD   LYS  71          2HD       LYS  71  11.731  14.652   4.267
  587   2HD   LYS  71          1HD       LYS  71  13.282  15.292   4.811
  588   1HE   LYS  71          2HE       LYS  71  13.704  13.091   5.975
  589   2HE   LYS  71          1HE       LYS  71  12.238  12.466   5.192
  590   1HZ   LYS  71          1HZ       LYS  71  13.167  13.187   3.048
  591   2HZ   LYS  71          2HZ       LYS  71  14.135  12.009   3.799
  592   3HZ   LYS  71          3HZ       LYS  71  14.602  13.643   3.828
  593    H    ASP  72           H        ASP  72   7.828  15.485   5.470
  594    HA   ASP  72           HA       ASP  72   8.708  18.162   4.612
  595   1HB   ASP  72          2HB       ASP  72   7.920  16.093   3.229
  596   2HB   ASP  72          1HB       ASP  72   6.295  16.653   3.629
  597    H    ILE  73           H        ILE  73   5.984  16.744   6.382
  598    HA   ILE  73           HA       ILE  73   4.226  19.006   6.235
  599    HB   ILE  73           HB       ILE  73   3.767  16.582   6.907
  600   1HG1  ILE  73          2HG1      ILE  73   2.160  17.461   8.836
  601   2HG1  ILE  73          1HG1      ILE  73   2.709  19.033   8.248
  602   1HG2  ILE  73          1HG2      ILE  73   4.481  17.507   9.690
  603   2HG2  ILE  73          2HG2      ILE  73   5.641  16.642   8.682
  604   3HG2  ILE  73          3HG2      ILE  73   4.122  15.871   9.136
  605   1HD1  ILE  73          1HD1      ILE  73   0.639  18.221   7.092
  606   2HD1  ILE  73          2HD1      ILE  73   1.568  16.856   6.473
  607   3HD1  ILE  73          3HD1      ILE  73   1.986  18.500   5.989
  608    H    ALA  74           H        ALA  74   7.149  18.536   8.036
  609    HA   ALA  74           HA       ALA  74   6.594  20.256  10.289
  610   1HB   ALA  74          1HB       ALA  74   9.180  19.504   8.880
  611   2HB   ALA  74          2HB       ALA  74   8.420  18.598  10.189
  612   3HB   ALA  74          3HB       ALA  74   9.073  20.208  10.493
  613    H    ALA  75           H        ALA  75   8.263  20.818   7.177
  614    HA   ALA  75           HA       ALA  75   8.402  23.726   7.678
  615   1HB   ALA  75          1HB       ALA  75   9.242  21.892   5.411
  616   2HB   ALA  75          2HB       ALA  75  10.284  22.581   6.657
  617   3HB   ALA  75          3HB       ALA  75   9.560  23.627   5.436
  618    H    TYR  76           H        TYR  76   6.419  21.428   5.921
  619    HA   TYR  76           HA       TYR  76   5.255  23.151   3.962
  620   1HB   TYR  76          2HB       TYR  76   5.121  20.640   4.132
  621   2HB   TYR  76          1HB       TYR  76   3.978  20.840   5.463
  622    HD1  TYR  76           1HD      TYR  76   1.750  21.831   5.075
  623    HD2  TYR  76           2HD      TYR  76   4.493  21.135   1.844
  624    HE1  TYR  76           1HE      TYR  76  -0.094  22.132   3.444
  625    HE2  TYR  76           2HE      TYR  76   2.650  21.434   0.213
  626    HH   TYR  76           HH       TYR  76  -0.663  21.585   1.186
  627    H    ARG  77           H        ARG  77   4.562  22.681   7.395
  628    HA   ARG  77           HA       ARG  77   2.025  24.082   7.426
  629   1HB   ARG  77          2HB       ARG  77   4.076  23.114   9.388
  630   2HB   ARG  77          1HB       ARG  77   2.838  24.236   9.956
  631   1HG   ARG  77          2HG       ARG  77   1.093  22.717   9.003
  632   2HG   ARG  77          1HG       ARG  77   2.367  21.567   8.596
  633   1HD   ARG  77          2HD       ARG  77   2.847  21.105  10.861
  634   2HD   ARG  77          1HD       ARG  77   2.067  22.599  11.422
  635    HE   ARG  77           HE       ARG  77   0.364  20.612  10.021
  636   1HH1  ARG  77          1HH2      ARG  77  -0.093  23.093  11.990
  637   2HH1  ARG  77          2HH2      ARG  77  -0.829  22.241  13.306
  638   1HH2  ARG  77          1HH1      ARG  77   0.047  19.106  12.114
  639   2HH2  ARG  77          2HH1      ARG  77  -0.750  19.983  13.376
  640    H    ALA  78           H        ALA  78   4.989  25.145   9.111
  641    HA   ALA  78           HA       ALA  78   5.912  27.294   9.409
  642   1HB   ALA  78          1HB       ALA  78   6.226  28.476   7.397
  643   2HB   ALA  78          2HB       ALA  78   4.636  28.029   6.779
  644   3HB   ALA  78          3HB       ALA  78   5.931  26.834   6.828
  645    H    LYS  79           H        LYS  79   4.777  28.251  11.080
  646    HA   LYS  79           HA       LYS  79   2.427  29.944  10.323
  647   1HB   LYS  79          2HB       LYS  79   2.640  27.660  12.166
  648   2HB   LYS  79          1HB       LYS  79   1.882  29.079  12.886
  649   1HG   LYS  79          2HG       LYS  79   0.267  29.187  11.052
  650   2HG   LYS  79          1HG       LYS  79   1.056  27.829  10.250
  651   1HD   LYS  79          2HD       LYS  79   0.607  26.505  12.407
  652   2HD   LYS  79          1HD       LYS  79  -0.486  27.817  12.847
  653   1HE   LYS  79          2HE       LYS  79  -1.396  27.391  10.359
  654   2HE   LYS  79          1HE       LYS  79  -0.773  25.763  10.698
  655   1HZ   LYS  79          1HZ       LYS  79  -1.985  25.726  12.759
  656   2HZ   LYS  79          2HZ       LYS  79  -3.069  26.079  11.498
  657   3HZ   LYS  79          3HZ       LYS  79  -2.526  27.316  12.528
  Start of MODEL    8
    1   1H    MET   1          1HT       MET   1  -7.761  10.679  -7.975
    2   2H    MET   1          2HT       MET   1  -6.512  11.240  -6.969
    3   3H    MET   1          3HT       MET   1  -6.595  11.748  -8.588
    4    HA   MET   1           HA       MET   1  -8.675  12.921  -8.138
    5   1HB   MET   1          2HB       MET   1  -9.187  11.168  -6.339
    6   2HB   MET   1          1HB       MET   1  -8.144  12.109  -5.270
    7   1HG   MET   1          2HG       MET   1  -9.567  14.124  -5.778
    8   2HG   MET   1          1HG       MET   1 -10.669  13.059  -6.651
    9   1HE   MET   1          1HE       MET   1 -10.253  13.811  -2.244
   10   2HE   MET   1          2HE       MET   1  -9.731  14.736  -3.649
   11   3HE   MET   1          3HE       MET   1  -8.778  13.357  -3.110
   12    H    LYS   2           H        LYS   2  -7.616  14.832  -8.603
   13    HA   LYS   2           HA       LYS   2  -5.521  15.818  -6.712
   14   1HB   LYS   2          2HB       LYS   2  -6.278  16.405  -9.584
   15   2HB   LYS   2          1HB       LYS   2  -5.106  17.383  -8.701
   16   1HG   LYS   2          2HG       LYS   2  -3.625  15.858  -9.551
   17   2HG   LYS   2          1HG       LYS   2  -4.141  14.914  -8.152
   18   1HD   LYS   2          2HD       LYS   2  -4.389  13.416  -9.961
   19   2HD   LYS   2          1HD       LYS   2  -6.022  14.029  -9.701
   20   1HE   LYS   2          2HE       LYS   2  -4.973  15.891 -11.456
   21   2HE   LYS   2          1HE       LYS   2  -4.245  14.370 -12.012
   22   1HZ   LYS   2          1HZ       LYS   2  -7.129  14.793 -11.432
   23   2HZ   LYS   2          2HZ       LYS   2  -6.425  13.334 -11.944
   24   3HZ   LYS   2          3HZ       LYS   2  -6.447  14.680 -12.980
   25    H    LYS   3           H        LYS   3  -5.766  17.860  -5.732
   26    HA   LYS   3           HA       LYS   3  -7.870  19.717  -6.422
   27   1HB   LYS   3          2HB       LYS   3  -9.100  17.799  -5.357
   28   2HB   LYS   3          1HB       LYS   3  -8.183  18.092  -3.880
   29   1HG   LYS   3          2HG       LYS   3  -9.122  20.301  -3.645
   30   2HG   LYS   3          1HG       LYS   3  -9.877  20.204  -5.236
   31   1HD   LYS   3          2HD       LYS   3 -11.211  18.238  -4.405
   32   2HD   LYS   3          1HD       LYS   3 -10.562  18.547  -2.794
   33   1HE   LYS   3          2HE       LYS   3 -11.635  20.684  -2.663
   34   2HE   LYS   3          1HE       LYS   3 -12.018  20.674  -4.396
   35   1HZ   LYS   3          1HZ       LYS   3 -13.004  18.682  -2.421
   36   2HZ   LYS   3          2HZ       LYS   3 -13.395  18.736  -4.072
   37   3HZ   LYS   3          3HZ       LYS   3 -13.919  19.972  -3.031
   38    H    LYS   4           H        LYS   4  -6.360  18.674  -3.343
   39    HA   LYS   4           HA       LYS   4  -5.780  21.352  -2.480
   40   1HB   LYS   4          2HB       LYS   4  -4.898  18.575  -1.684
   41   2HB   LYS   4          1HB       LYS   4  -4.289  20.004  -0.847
   42   1HG   LYS   4          2HG       LYS   4  -7.248  19.691  -1.256
   43   2HG   LYS   4          1HG       LYS   4  -6.454  18.797   0.042
   44   1HD   LYS   4          2HD       LYS   4  -6.005  21.759  -0.310
   45   2HD   LYS   4          1HD       LYS   4  -7.385  21.148   0.602
   46   1HE   LYS   4          2HE       LYS   4  -5.624  19.709   1.881
   47   2HE   LYS   4          1HE       LYS   4  -4.447  20.864   1.226
   48   1HZ   LYS   4          1HZ       LYS   4  -6.921  21.580   2.711
   49   2HZ   LYS   4          2HZ       LYS   4  -5.790  22.678   2.077
   50   3HZ   LYS   4          3HZ       LYS   4  -5.349  21.636   3.344
   51    H    ASP   5           H        ASP   5  -3.306  18.837  -2.995
   52    HA   ASP   5           HA       ASP   5  -1.790  20.562  -4.854
   53   1HB   ASP   5          2HB       ASP   5  -1.132  20.062  -1.966
   54   2HB   ASP   5          1HB       ASP   5   0.184  20.275  -3.122
   55    HA   PRO   6           HA       PRO   6  -0.866  16.305  -5.969
   56   1HB   PRO   6          2HB       PRO   6   0.724  16.828  -8.131
   57   2HB   PRO   6          1HB       PRO   6  -1.046  16.930  -8.189
   58   1HG   PRO   6          2HG       PRO   6   0.967  19.106  -7.940
   59   2HG   PRO   6          1HG       PRO   6  -0.550  19.069  -8.853
   60   1HD   PRO   6          2HD       PRO   6  -0.269  20.329  -6.451
   61   2HD   PRO   6          1HD       PRO   6  -1.809  19.668  -7.042
   62    H    ASN   7           H        ASN   7   1.642  18.819  -5.782
   63    HA   ASN   7           HA       ASN   7   3.820  16.907  -5.380
   64   1HB   ASN   7          2HB       ASN   7   5.121  18.996  -5.064
   65   2HB   ASN   7          1HB       ASN   7   4.105  19.081  -6.502
   66   1HD2  ASN   7          1HD2      ASN   7   4.465  20.287  -3.179
   67   2HD2  ASN   7          2HD2      ASN   7   3.342  21.552  -3.334
   68    H    ALA   8           H        ALA   8   1.375  18.080  -3.319
   69    HA   ALA   8           HA       ALA   8   3.103  17.918  -0.894
   70   1HB   ALA   8          1HB       ALA   8   1.558  19.874  -1.409
   71   2HB   ALA   8          2HB       ALA   8   1.306  19.123   0.167
   72   3HB   ALA   8          3HB       ALA   8   0.207  18.766  -1.165
   73    HA   PRO   9           HA       PRO   9   1.290  13.887  -0.241
   74   1HB   PRO   9          2HB       PRO   9   2.250  13.415   2.273
   75   2HB   PRO   9          1HB       PRO   9   3.260  13.294   0.819
   76   1HG   PRO   9          2HG       PRO   9   3.122  15.448   2.850
   77   2HG   PRO   9          1HG       PRO   9   4.503  14.858   1.918
   78   1HD   PRO   9          2HD       PRO   9   3.092  17.171   1.378
   79   2HD   PRO   9          1HD       PRO   9   4.113  16.301   0.215
   80    H    LYS  10           H        LYS  10  -0.931  14.710  -0.122
   81    HA   LYS  10           HA       LYS  10  -1.893  15.540   2.541
   82   1HB   LYS  10          2HB       LYS  10  -3.878  16.260   1.267
   83   2HB   LYS  10          1HB       LYS  10  -2.402  16.892   0.541
   84   1HG   LYS  10          2HG       LYS  10  -2.812  14.366  -0.661
   85   2HG   LYS  10          1HG       LYS  10  -4.396  15.137  -0.624
   86   1HD   LYS  10          2HD       LYS  10  -3.611  17.036  -1.838
   87   2HD   LYS  10          1HD       LYS  10  -1.924  16.573  -1.610
   88   1HE   LYS  10          2HE       LYS  10  -2.616  15.984  -3.891
   89   2HE   LYS  10          1HE       LYS  10  -2.383  14.490  -2.963
   90   1HZ   LYS  10          1HZ       LYS  10  -4.977  15.910  -3.257
   91   2HZ   LYS  10          2HZ       LYS  10  -4.720  14.428  -2.467
   92   3HZ   LYS  10          3HZ       LYS  10  -4.529  14.540  -4.151
   93    H    ARG  11           H        ARG  11  -1.170  12.732   1.914
   94    HA   ARG  11           HA       ARG  11  -3.506  11.425   3.055
   95   1HB   ARG  11          2HB       ARG  11  -4.059  11.851   0.599
   96   2HB   ARG  11          1HB       ARG  11  -2.786  10.694   0.207
   97   1HG   ARG  11          2HG       ARG  11  -4.022   8.903   0.887
   98   2HG   ARG  11          1HG       ARG  11  -4.715   9.776   2.255
   99   1HD   ARG  11          2HD       ARG  11  -5.895  11.108   0.189
  100   2HD   ARG  11          1HD       ARG  11  -5.755   9.481  -0.507
  101    HE   ARG  11           HE       ARG  11  -6.884   8.634   1.578
  102   1HH1  ARG  11          1HH2      ARG  11  -8.875  10.239   0.028
  103   2HH1  ARG  11          2HH2      ARG  11  -9.514  11.299   1.239
  104   1HH2  ARG  11          1HH1      ARG  11  -6.917  10.748   3.470
  105   2HH2  ARG  11          2HH1      ARG  11  -8.406  11.587   3.188
  106    HA   PRO  12           HA       PRO  12   0.363   9.116   3.766
  107   1HB   PRO  12          2HB       PRO  12  -0.285   8.219   6.263
  108   2HB   PRO  12          1HB       PRO  12   0.407   9.825   5.962
  109   1HG   PRO  12          2HG       PRO  12  -2.397   9.050   6.529
  110   2HG   PRO  12          1HG       PRO  12  -1.503  10.501   6.999
  111   1HD   PRO  12          2HD       PRO  12  -3.332  10.385   4.943
  112   2HD   PRO  12          1HD       PRO  12  -2.052  11.606   5.095
  113    HA   PRO  13           HA       PRO  13  -1.979   5.411   2.656
  114   1HB   PRO  13          2HB       PRO  13   0.059   4.103   1.393
  115   2HB   PRO  13          1HB       PRO  13  -0.875   5.401   0.627
  116   1HG   PRO  13          2HG       PRO  13   1.864   5.440   1.707
  117   2HG   PRO  13          1HG       PRO  13   1.137   6.420   0.429
  118   1HD   PRO  13          2HD       PRO  13   1.620   7.208   3.087
  119   2HD   PRO  13          1HD       PRO  13   0.658   8.086   1.880
  120    H    SER  14           H        SER  14  -1.687   3.028   3.166
  121    HA   SER  14           HA       SER  14   0.420   2.333   5.116
  122   1HB   SER  14          2HB       SER  14  -1.324   3.579   6.382
  123   2HB   SER  14          1HB       SER  14  -2.527   2.412   5.841
  124    HG   SER  14           HG       SER  14  -1.667   0.913   7.115
  125    H    ALA  15           H        ALA  15   0.143   1.101   2.696
  126    HA   ALA  15           HA       ALA  15  -0.006  -1.030   1.746
  127   1HB   ALA  15          1HB       ALA  15   0.504  -2.596   3.293
  128   2HB   ALA  15          2HB       ALA  15  -1.121  -2.506   3.968
  129   3HB   ALA  15          3HB       ALA  15   0.140  -1.423   4.557
  130    H    PHE  16           H        PHE  16  -2.696  -1.307   4.090
  131    HA   PHE  16           HA       PHE  16  -4.629  -2.368   2.388
  132   1HB   PHE  16          2HB       PHE  16  -4.641  -1.889   4.895
  133   2HB   PHE  16          1HB       PHE  16  -5.163  -0.257   4.480
  134    HD1  PHE  16           1HD      PHE  16  -6.023  -3.855   3.901
  135    HD2  PHE  16           2HD      PHE  16  -7.436   0.197   4.094
  136    HE1  PHE  16           1HE      PHE  16  -8.357  -4.655   3.645
  137    HE2  PHE  16           2HE      PHE  16  -9.768  -0.603   3.839
  138    HZ   PHE  16           HZ       PHE  16 -10.229  -3.030   3.613
  139    H    PHE  17           H        PHE  17  -4.136   1.123   3.042
  140    HA   PHE  17           HA       PHE  17  -6.150   2.131   1.304
  141   1HB   PHE  17          2HB       PHE  17  -3.959   3.080   2.900
  142   2HB   PHE  17          1HB       PHE  17  -3.845   3.853   1.322
  143    HD1  PHE  17           1HD      PHE  17  -5.624   3.723   4.464
  144    HD2  PHE  17           2HD      PHE  17  -5.891   5.039   0.383
  145    HE1  PHE  17           1HE      PHE  17  -7.477   5.253   5.078
  146    HE2  PHE  17           2HE      PHE  17  -7.743   6.568   0.998
  147    HZ   PHE  17           HZ       PHE  17  -8.537   6.675   3.345
  148    H    LEU  18           H        LEU  18  -2.749   1.295   0.672
  149    HA   LEU  18           HA       LEU  18  -2.565   2.210  -2.017
  150   1HB   LEU  18          2HB       LEU  18  -1.258  -0.203  -0.708
  151   2HB   LEU  18          1HB       LEU  18  -0.659   0.658  -2.121
  152    HG   LEU  18           HG       LEU  18  -0.905   1.774   0.695
  153   1HD1  LEU  18          1HD1      LEU  18   1.507   1.232  -1.056
  154   2HD1  LEU  18          2HD1      LEU  18   0.991   0.227   0.298
  155   3HD1  LEU  18          3HD1      LEU  18   1.535   1.880   0.584
  156   1HD2  LEU  18          1HD2      LEU  18  -0.317   3.048  -1.971
  157   2HD2  LEU  18          2HD2      LEU  18   0.459   3.676  -0.517
  158   3HD2  LEU  18          3HD2      LEU  18  -1.301   3.662  -0.643
  159    H    PHE  19           H        PHE  19  -3.434  -1.022  -0.747
  160    HA   PHE  19           HA       PHE  19  -3.936  -2.231  -3.311
  161   1HB   PHE  19          2HB       PHE  19  -3.484  -3.401  -1.150
  162   2HB   PHE  19          1HB       PHE  19  -5.064  -2.879  -0.567
  163    HD1  PHE  19           1HD      PHE  19  -3.282  -5.083  -2.916
  164    HD2  PHE  19           2HD      PHE  19  -7.128  -3.820  -1.477
  165    HE1  PHE  19           1HE      PHE  19  -4.339  -7.027  -4.035
  166    HE2  PHE  19           2HE      PHE  19  -8.184  -5.764  -2.597
  167    HZ   PHE  19           HZ       PHE  19  -6.789  -7.367  -3.876
  168    H    CYS  20           H        CYS  20  -6.181  -0.904  -0.850
  169    HA   CYS  20           HA       CYS  20  -8.583  -1.297  -2.370
  170   1HB   CYS  20          2HB       CYS  20  -7.658   0.279  -0.010
  171   2HB   CYS  20          1HB       CYS  20  -9.182   0.772  -0.746
  172    HG   CYS  20           HG       CYS  20  -8.665  -2.081   0.431
  173    H    SER  21           H        SER  21  -6.194   1.293  -2.301
  174    HA   SER  21           HA       SER  21  -7.688   3.290  -3.723
  175   1HB   SER  21          2HB       SER  21  -4.798   2.662  -3.189
  176   2HB   SER  21          1HB       SER  21  -5.209   3.970  -4.290
  177    HG   SER  21           HG       SER  21  -5.969   3.654  -1.576
  178    H    GLU  22           H        GLU  22  -6.031   0.393  -4.806
  179    HA   GLU  22           HA       GLU  22  -6.228   1.312  -7.643
  180   1HB   GLU  22          2HB       GLU  22  -4.606  -0.524  -8.035
  181   2HB   GLU  22          1HB       GLU  22  -4.029   0.604  -6.812
  182   1HG   GLU  22          2HG       GLU  22  -4.535  -0.895  -5.036
  183   2HG   GLU  22          1HG       GLU  22  -5.538  -1.907  -6.074
  184    H    TYR  23           H        TYR  23  -7.474  -1.116  -5.388
  185    HA   TYR  23           HA       TYR  23  -8.574  -2.812  -7.511
  186   1HB   TYR  23          2HB       TYR  23  -8.144  -2.830  -4.627
  187   2HB   TYR  23          1HB       TYR  23  -9.758  -3.413  -5.027
  188    HD1  TYR  23           1HD      TYR  23 -10.083  -5.567  -5.958
  189    HD2  TYR  23           2HD      TYR  23  -6.140  -3.866  -5.826
  190    HE1  TYR  23           1HE      TYR  23  -9.122  -7.738  -6.676
  191    HE2  TYR  23           2HE      TYR  23  -5.181  -6.037  -6.544
  192    HH   TYR  23           HH       TYR  23  -6.936  -8.925  -6.507
  193    H    ARG  24           H        ARG  24  -9.799  -0.289  -5.319
  194    HA   ARG  24           HA       ARG  24 -12.555  -0.582  -5.525
  195   1HB   ARG  24          2HB       ARG  24 -10.728   1.811  -5.451
  196   2HB   ARG  24          1HB       ARG  24 -12.483   1.996  -5.451
  197   1HG   ARG  24          2HG       ARG  24 -12.705   0.711  -3.431
  198   2HG   ARG  24          1HG       ARG  24 -11.009   0.235  -3.481
  199   1HD   ARG  24          2HD       ARG  24 -10.270   2.289  -2.707
  200   2HD   ARG  24          1HD       ARG  24 -11.623   3.167  -3.447
  201    HE   ARG  24           HE       ARG  24 -12.968   1.711  -1.629
  202   1HH1  ARG  24          1HH2      ARG  24 -11.917   4.587  -1.142
  203   2HH1  ARG  24          2HH2      ARG  24 -11.223   4.397   0.434
  204   1HH2  ARG  24          1HH1      ARG  24 -11.232   0.931   0.311
  205   2HH2  ARG  24          2HH1      ARG  24 -10.835   2.328   1.257
  206    HA   PRO  25           HA       PRO  25 -12.638   1.992  -9.651
  207   1HB   PRO  25          2HB       PRO  25 -10.331   1.893 -11.148
  208   2HB   PRO  25          1HB       PRO  25 -10.725   3.217 -10.031
  209   1HG   PRO  25          2HG       PRO  25  -9.000   0.815  -9.575
  210   2HG   PRO  25          1HG       PRO  25  -8.685   2.516  -9.176
  211   1HD   PRO  25          2HD       PRO  25  -9.492   0.836  -7.298
  212   2HD   PRO  25          1HD       PRO  25 -10.137   2.490  -7.345
  213    H    LYS  26           H        LYS  26 -10.776  -0.952  -9.233
  214    HA   LYS  26           HA       LYS  26 -11.419  -2.191 -11.777
  215   1HB   LYS  26          2HB       LYS  26  -9.626  -2.760  -9.982
  216   2HB   LYS  26          1HB       LYS  26 -10.946  -3.572  -9.133
  217   1HG   LYS  26          2HG       LYS  26 -10.400  -4.159 -12.038
  218   2HG   LYS  26          1HG       LYS  26  -9.492  -4.982 -10.769
  219   1HD   LYS  26          2HD       LYS  26 -11.808  -5.498  -9.728
  220   2HD   LYS  26          1HD       LYS  26 -12.457  -5.071 -11.311
  221   1HE   LYS  26          2HE       LYS  26 -11.118  -6.800 -12.389
  222   2HE   LYS  26          1HE       LYS  26 -10.310  -7.173 -10.854
  223   1HZ   LYS  26          1HZ       LYS  26 -12.437  -7.720  -9.880
  224   2HZ   LYS  26          2HZ       LYS  26 -12.196  -8.663 -11.272
  225   3HZ   LYS  26          3HZ       LYS  26 -13.241  -7.326 -11.321
  226    H    ILE  27           H        ILE  27 -12.785  -2.325  -8.501
  227    HA   ILE  27           HA       ILE  27 -14.898  -4.175  -8.933
  228    HB   ILE  27           HB       ILE  27 -14.782  -1.714  -7.145
  229   1HG1  ILE  27          2HG1      ILE  27 -12.834  -3.149  -6.754
  230   2HG1  ILE  27          1HG1      ILE  27 -13.953  -3.286  -5.407
  231   1HG2  ILE  27          1HG2      ILE  27 -16.308  -3.073  -5.688
  232   2HG2  ILE  27          2HG2      ILE  27 -16.436  -4.247  -6.998
  233   3HG2  ILE  27          3HG2      ILE  27 -17.029  -2.601  -7.227
  234   1HD1  ILE  27          1HD1      ILE  27 -13.380  -5.516  -5.864
  235   2HD1  ILE  27          2HD1      ILE  27 -13.416  -5.264  -7.610
  236   3HD1  ILE  27          3HD1      ILE  27 -14.923  -5.314  -6.695
  237    H    LYS  28           H        LYS  28 -14.692  -0.688  -9.513
  238    HA   LYS  28           HA       LYS  28 -17.498  -0.283 -10.002
  239   1HB   LYS  28          2HB       LYS  28 -15.357   1.424 -11.258
  240   2HB   LYS  28          1HB       LYS  28 -16.887   1.917 -10.552
  241   1HG   LYS  28          2HG       LYS  28 -14.293   1.270  -9.203
  242   2HG   LYS  28          1HG       LYS  28 -15.294   2.688  -9.011
  243   1HD   LYS  28          2HD       LYS  28 -15.824  -0.087  -7.891
  244   2HD   LYS  28          1HD       LYS  28 -15.436   1.371  -6.991
  245   1HE   LYS  28          2HE       LYS  28 -17.889   1.227  -8.767
  246   2HE   LYS  28          1HE       LYS  28 -17.927   0.742  -7.061
  247   1HZ   LYS  28          1HZ       LYS  28 -16.955   2.888  -6.477
  248   2HZ   LYS  28          2HZ       LYS  28 -18.439   3.092  -7.280
  249   3HZ   LYS  28          3HZ       LYS  28 -16.978   3.358  -8.106
  250    H    SER  29           H        SER  29 -14.756  -0.957 -12.174
  251    HA   SER  29           HA       SER  29 -16.044  -0.590 -14.672
  252   1HB   SER  29          2HB       SER  29 -13.606  -1.013 -14.176
  253   2HB   SER  29          1HB       SER  29 -14.007  -2.710 -13.924
  254    HG   SER  29           HG       SER  29 -13.909  -1.204 -16.258
  255    H    GLU  30           H        GLU  30 -16.350  -3.199 -12.345
  256    HA   GLU  30           HA       GLU  30 -18.043  -4.736 -14.287
  257   1HB   GLU  30          2HB       GLU  30 -15.977  -5.384 -12.305
  258   2HB   GLU  30          1HB       GLU  30 -17.426  -6.369 -12.115
  259   1HG   GLU  30          2HG       GLU  30 -16.183  -5.958 -14.830
  260   2HG   GLU  30          1HG       GLU  30 -15.592  -7.214 -13.743
  261    H    HIS  31           H        HIS  31 -17.976  -3.117 -11.192
  262    HA   HIS  31           HA       HIS  31 -20.812  -3.975 -10.701
  263   1HB   HIS  31          2HB       HIS  31 -18.738  -3.096  -8.662
  264   2HB   HIS  31          1HB       HIS  31 -20.314  -3.801  -8.329
  265    HD1  HIS  31           1HD      HIS  31 -16.824  -4.678  -9.254
  266    HD2  HIS  31           2HD      HIS  31 -20.488  -6.637  -8.912
  267    HE1  HIS  31           1HE      HIS  31 -16.315  -7.156  -9.297
  268    HA   PRO  32           HA       PRO  32 -20.921   0.539 -11.389
  269   1HB   PRO  32          2HB       PRO  32 -23.475   0.608 -12.365
  270   2HB   PRO  32          1HB       PRO  32 -22.064   0.240 -13.368
  271   1HG   PRO  32          2HG       PRO  32 -24.099  -1.588 -12.234
  272   2HG   PRO  32          1HG       PRO  32 -23.219  -1.683 -13.766
  273   1HD   PRO  32          2HD       PRO  32 -22.631  -3.166 -11.519
  274   2HD   PRO  32          1HD       PRO  32 -21.495  -2.831 -12.842
  275    H    GLY  33           H        GLY  33 -23.403  -1.538  -9.945
  276   1HA   GLY  33          2HA       GLY  33 -24.627   0.597  -8.401
  277   2HA   GLY  33          1HA       GLY  33 -24.923  -1.128  -8.201
  278    H    LEU  34           H        LEU  34 -21.803  -1.348  -8.002
  279    HA   LEU  34           HA       LEU  34 -21.583  -1.627  -5.194
  280   1HB   LEU  34          2HB       LEU  34 -19.961  -1.839  -7.564
  281   2HB   LEU  34          1HB       LEU  34 -19.027  -1.011  -6.327
  282    HG   LEU  34           HG       LEU  34 -18.762  -3.499  -6.276
  283   1HD1  LEU  34          1HD1      LEU  34 -19.664  -3.557  -3.724
  284   2HD1  LEU  34          2HD1      LEU  34 -19.683  -1.818  -4.017
  285   3HD1  LEU  34          3HD1      LEU  34 -18.187  -2.730  -4.213
  286   1HD2  LEU  34          1HD2      LEU  34 -21.395  -3.871  -4.970
  287   2HD2  LEU  34          2HD2      LEU  34 -20.522  -4.940  -6.069
  288   3HD2  LEU  34          3HD2      LEU  34 -21.464  -3.593  -6.711
  289    H    SER  35           H        SER  35 -22.518   0.409  -4.349
  290    HA   SER  35           HA       SER  35 -21.191   2.970  -4.787
  291   1HB   SER  35          2HB       SER  35 -23.070   2.047  -2.589
  292   2HB   SER  35          1HB       SER  35 -22.761   3.714  -3.063
  293    HG   SER  35           HG       SER  35 -24.051   3.469  -4.712
  294    H    ILE  36           H        ILE  36 -20.346   4.181  -2.731
  295    HA   ILE  36           HA       ILE  36 -17.987   2.972  -1.748
  296    HB   ILE  36           HB       ILE  36 -19.749   5.147  -0.567
  297   1HG1  ILE  36          2HG1      ILE  36 -18.982   5.603  -2.872
  298   2HG1  ILE  36          1HG1      ILE  36 -18.179   6.672  -1.725
  299   1HG2  ILE  36          1HG2      ILE  36 -17.516   5.898   0.445
  300   2HG2  ILE  36          2HG2      ILE  36 -16.914   4.289   0.051
  301   3HG2  ILE  36          3HG2      ILE  36 -18.261   4.474   1.173
  302   1HD1  ILE  36          1HD1      ILE  36 -16.485   5.862  -3.228
  303   2HD1  ILE  36          2HD1      ILE  36 -17.033   4.196  -3.043
  304   3HD1  ILE  36          3HD1      ILE  36 -16.251   5.022  -1.696
  305    H    GLY  37           H        GLY  37 -21.288   2.773  -0.546
  306   1HA   GLY  37          2HA       GLY  37 -20.771   1.821   2.088
  307   2HA   GLY  37          1HA       GLY  37 -22.230   1.465   1.160
  308    H    ASP  38           H        ASP  38 -21.896  -0.236  -0.611
  309    HA   ASP  38           HA       ASP  38 -20.885  -2.668   0.564
  310   1HB   ASP  38          2HB       ASP  38 -22.752  -2.288  -1.158
  311   2HB   ASP  38          1HB       ASP  38 -21.467  -2.138  -2.359
  312    H    THR  39           H        THR  39 -19.522  -0.327  -1.704
  313    HA   THR  39           HA       THR  39 -17.306  -1.924  -2.627
  314    HB   THR  39           HB       THR  39 -17.691   1.077  -2.357
  315    HG1  THR  39           1HG      THR  39 -18.480   0.938  -4.385
  316   1HG2  THR  39          1HG2      THR  39 -15.962   1.127  -4.216
  317   2HG2  THR  39          2HG2      THR  39 -15.639  -0.570  -3.858
  318   3HG2  THR  39          3HG2      THR  39 -15.338   0.662  -2.633
  319    H    ALA  40           H        ALA  40 -17.851   0.034   0.247
  320    HA   ALA  40           HA       ALA  40 -15.073   0.129   1.099
  321   1HB   ALA  40          1HB       ALA  40 -16.721   1.759   1.849
  322   2HB   ALA  40          2HB       ALA  40 -16.175   0.842   3.254
  323   3HB   ALA  40          3HB       ALA  40 -17.735   0.480   2.515
  324    H    LYS  41           H        LYS  41 -17.888  -1.893   1.948
  325    HA   LYS  41           HA       LYS  41 -16.259  -3.594   3.700
  326   1HB   LYS  41          2HB       LYS  41 -18.401  -4.652   4.183
  327   2HB   LYS  41          1HB       LYS  41 -18.597  -2.903   4.201
  328   1HG   LYS  41          2HG       LYS  41 -19.292  -3.165   1.714
  329   2HG   LYS  41          1HG       LYS  41 -19.485  -4.873   2.097
  330   1HD   LYS  41          2HD       LYS  41 -21.629  -3.809   2.417
  331   2HD   LYS  41          1HD       LYS  41 -20.980  -4.196   4.010
  332   1HE   LYS  41          2HE       LYS  41 -19.959  -1.644   3.510
  333   2HE   LYS  41          1HE       LYS  41 -21.610  -1.576   2.864
  334   1HZ   LYS  41          1HZ       LYS  41 -20.831  -2.596   5.546
  335   2HZ   LYS  41          2HZ       LYS  41 -22.410  -2.591   4.917
  336   3HZ   LYS  41          3HZ       LYS  41 -21.616  -1.123   5.236
  337    H    LYS  42           H        LYS  42 -17.043  -3.599   0.312
  338    HA   LYS  42           HA       LYS  42 -16.877  -6.527   0.028
  339   1HB   LYS  42          2HB       LYS  42 -18.346  -5.030  -1.343
  340   2HB   LYS  42          1HB       LYS  42 -16.902  -4.274  -2.009
  341   1HG   LYS  42          2HG       LYS  42 -17.829  -6.010  -3.521
  342   2HG   LYS  42          1HG       LYS  42 -16.203  -6.416  -2.986
  343   1HD   LYS  42          2HD       LYS  42 -16.913  -8.219  -1.766
  344   2HD   LYS  42          1HD       LYS  42 -18.398  -7.415  -1.260
  345   1HE   LYS  42          2HE       LYS  42 -19.587  -8.188  -3.068
  346   2HE   LYS  42          1HE       LYS  42 -18.189  -8.086  -4.157
  347   1HZ   LYS  42          1HZ       LYS  42 -18.655 -10.390  -3.676
  348   2HZ   LYS  42          2HZ       LYS  42 -18.606 -10.094  -2.004
  349   3HZ   LYS  42          3HZ       LYS  42 -17.193  -9.954  -2.936
  350    H    LEU  43           H        LEU  43 -14.565  -4.314   0.751
  351    HA   LEU  43           HA       LEU  43 -12.522  -5.359  -1.157
  352   1HB   LEU  43          2HB       LEU  43 -12.863  -2.959   0.611
  353   2HB   LEU  43          1HB       LEU  43 -11.231  -3.455   0.168
  354    HG   LEU  43           HG       LEU  43 -13.371  -3.172  -1.934
  355   1HD1  LEU  43          1HD1      LEU  43 -12.896  -1.065  -0.365
  356   2HD1  LEU  43          2HD1      LEU  43 -13.090  -0.885  -2.108
  357   3HD1  LEU  43          3HD1      LEU  43 -11.476  -0.923  -1.400
  358   1HD2  LEU  43          1HD2      LEU  43 -11.307  -4.287  -2.589
  359   2HD2  LEU  43          2HD2      LEU  43 -10.342  -2.982  -1.899
  360   3HD2  LEU  43          3HD2      LEU  43 -11.338  -2.684  -3.323
  361    H    GLY  44           H        GLY  44 -13.485  -5.308   2.229
  362   1HA   GLY  44          2HA       GLY  44 -11.021  -6.379   3.298
  363   2HA   GLY  44          1HA       GLY  44 -12.583  -6.373   4.120
  364    H    GLU  45           H        GLU  45 -13.907  -7.760   1.850
  365    HA   GLU  45           HA       GLU  45 -13.756 -10.454   2.703
  366   1HB   GLU  45          2HB       GLU  45 -15.400  -9.093   1.148
  367   2HB   GLU  45          1HB       GLU  45 -14.369  -9.710  -0.145
  368   1HG   GLU  45          2HG       GLU  45 -16.036 -11.362   0.046
  369   2HG   GLU  45          1HG       GLU  45 -14.702 -12.023   0.992
  370    H    MET  46           H        MET  46 -12.203  -8.947  -0.152
  371    HA   MET  46           HA       MET  46 -10.693 -11.334  -0.854
  372   1HB   MET  46          2HB       MET  46 -10.534  -8.399  -1.610
  373   2HB   MET  46          1HB       MET  46  -9.549  -9.650  -2.371
  374   1HG   MET  46          2HG       MET  46 -12.553  -9.892  -2.228
  375   2HG   MET  46          1HG       MET  46 -11.764  -9.015  -3.539
  376   1HE   MET  46          1HE       MET  46 -11.837 -12.721  -1.741
  377   2HE   MET  46          2HE       MET  46 -12.666 -13.276  -3.191
  378   3HE   MET  46          3HE       MET  46 -13.250 -11.847  -2.344
  379    H    TRP  47           H        TRP  47  -9.811  -8.186   0.612
  380    HA   TRP  47           HA       TRP  47  -7.068  -8.596   1.068
  381   1HB   TRP  47          2HB       TRP  47  -8.496  -6.546   1.479
  382   2HB   TRP  47          1HB       TRP  47  -9.029  -7.298   2.983
  383    HD1  TRP  47           HD       TRP  47  -7.634  -6.711   5.015
  384    HE1  TRP  47           1HE      TRP  47  -5.229  -5.878   5.433
  385    HE3  TRP  47           3HE      TRP  47  -5.856  -6.711   0.228
  386    HZ2  TRP  47           2HZ      TRP  47  -2.865  -5.290   3.934
  387    HZ3  TRP  47           3HZ      TRP  47  -3.526  -6.012  -0.249
  388    HH2  TRP  47           HH       TRP  47  -2.030  -5.302   1.597
  389    H    SER  48           H        SER  48  -9.633  -9.217   3.509
  390    HA   SER  48           HA       SER  48  -7.955 -10.576   5.379
  391   1HB   SER  48          2HB       SER  48 -10.184  -9.627   5.861
  392   2HB   SER  48          1HB       SER  48 -10.928 -10.826   4.808
  393    HG   SER  48           HG       SER  48 -10.737 -12.258   6.338
  394    H    GLU  49           H        GLU  49  -9.767 -11.743   2.569
  395    HA   GLU  49           HA       GLU  49  -9.653 -14.548   3.051
  396   1HB   GLU  49          2HB       GLU  49  -9.999 -12.683   0.773
  397   2HB   GLU  49          1HB       GLU  49  -9.482 -14.311   0.334
  398   1HG   GLU  49          2HG       GLU  49 -11.823 -13.758   2.173
  399   2HG   GLU  49          1HG       GLU  49 -11.994 -13.988   0.432
  400    H    GLN  50           H        GLN  50  -7.294 -12.359   1.528
  401    HA   GLN  50           HA       GLN  50  -5.417 -14.348   0.660
  402   1HB   GLN  50          2HB       GLN  50  -5.073 -11.460   1.530
  403   2HB   GLN  50          1HB       GLN  50  -3.873 -12.386   0.626
  404   1HG   GLN  50          2HG       GLN  50  -6.049 -12.819  -0.928
  405   2HG   GLN  50          1HG       GLN  50  -6.450 -11.226  -0.289
  406   1HE2  GLN  50          1HE2      GLN  50  -3.676 -12.966  -1.806
  407   2HE2  GLN  50          2HE2      GLN  50  -3.094 -11.608  -2.643
  408    H    SER  51           H        SER  51  -3.282 -14.757   1.649
  409    HA   SER  51           HA       SER  51  -3.497 -15.106   4.597
  410   1HB   SER  51          2HB       SER  51  -1.747 -16.754   4.225
  411   2HB   SER  51          1HB       SER  51  -2.962 -16.970   2.968
  412    HG   SER  51           HG       SER  51  -0.654 -16.859   2.319
  413    H    ALA  52           H        ALA  52  -0.481 -15.227   4.753
  414    HA   ALA  52           HA       ALA  52  -0.024 -12.349   5.196
  415   1HB   ALA  52          1HB       ALA  52   1.601 -14.873   5.648
  416   2HB   ALA  52          2HB       ALA  52   0.672 -13.986   6.857
  417   3HB   ALA  52          3HB       ALA  52   2.121 -13.267   6.154
  418    H    LYS  53           H        LYS  53  -0.346 -12.672   2.475
  419    HA   LYS  53           HA       LYS  53   2.456 -12.525   1.408
  420   1HB   LYS  53          2HB       LYS  53   0.601 -14.432   0.849
  421   2HB   LYS  53          1HB       LYS  53   0.185 -13.232  -0.374
  422   1HG   LYS  53          2HG       LYS  53   1.817 -14.615  -1.410
  423   2HG   LYS  53          1HG       LYS  53   2.689 -13.159  -0.930
  424   1HD   LYS  53          2HD       LYS  53   3.630 -14.239   0.986
  425   2HD   LYS  53          1HD       LYS  53   2.544 -15.619   0.823
  426   1HE   LYS  53          2HE       LYS  53   4.662 -16.335  -0.068
  427   2HE   LYS  53          1HE       LYS  53   3.636 -16.007  -1.479
  428   1HZ   LYS  53          1HZ       LYS  53   5.574 -14.127  -0.233
  429   2HZ   LYS  53          2HZ       LYS  53   4.516 -13.727  -1.501
  430   3HZ   LYS  53          3HZ       LYS  53   5.740 -14.881  -1.744
  431    H    ASP  54           H        ASP  54  -0.912 -11.423   1.009
  432    HA   ASP  54           HA       ASP  54  -0.427  -9.399  -0.948
  433   1HB   ASP  54          2HB       ASP  54  -2.628  -8.549  -0.150
  434   2HB   ASP  54          1HB       ASP  54  -2.638 -10.298  -0.370
  435    H    LYS  55           H        LYS  55  -0.268  -9.293   2.619
  436    HA   LYS  55           HA       LYS  55   0.333  -6.401   2.579
  437   1HB   LYS  55          2HB       LYS  55  -1.168  -7.484   4.244
  438   2HB   LYS  55          1HB       LYS  55   0.203  -8.423   4.836
  439   1HG   LYS  55          2HG       LYS  55   1.246  -6.562   5.768
  440   2HG   LYS  55          1HG       LYS  55   0.435  -5.435   4.679
  441   1HD   LYS  55          2HD       LYS  55  -1.627  -5.619   5.862
  442   2HD   LYS  55          1HD       LYS  55  -1.068  -7.030   6.761
  443   1HE   LYS  55          2HE       LYS  55  -0.682  -5.417   8.378
  444   2HE   LYS  55          1HE       LYS  55   0.848  -5.261   7.491
  445   1HZ   LYS  55          1HZ       LYS  55  -1.633  -3.739   6.885
  446   2HZ   LYS  55          2HZ       LYS  55  -0.132  -3.570   6.104
  447   3HZ   LYS  55          3HZ       LYS  55  -0.302  -3.116   7.733
  448    H    GLN  56           H        GLN  56   2.268  -8.681   1.574
  449    HA   GLN  56           HA       GLN  56   4.539  -8.229   3.431
  450   1HB   GLN  56          2HB       GLN  56   3.720 -10.192   1.402
  451   2HB   GLN  56          1HB       GLN  56   5.433  -9.787   1.326
  452   1HG   GLN  56          2HG       GLN  56   5.279 -10.082   3.957
  453   2HG   GLN  56          1HG       GLN  56   3.887 -11.081   3.540
  454   1HE2  GLN  56          1HE2      GLN  56   4.579 -12.477   1.333
  455   2HE2  GLN  56          2HE2      GLN  56   6.014 -13.355   1.557
  456    HA   PRO  57           HA       PRO  57   6.340  -6.223  -0.442
  457   1HB   PRO  57          2HB       PRO  57   5.010  -6.223  -2.810
  458   2HB   PRO  57          1HB       PRO  57   6.032  -7.578  -2.291
  459   1HG   PRO  57          2HG       PRO  57   3.099  -7.338  -2.333
  460   2HG   PRO  57          1HG       PRO  57   4.112  -8.769  -2.535
  461   1HD   PRO  57          2HD       PRO  57   2.721  -8.036  -0.225
  462   2HD   PRO  57          1HD       PRO  57   4.008  -9.252  -0.338
  463    H    TYR  58           H        TYR  58   2.823  -5.911  -0.297
  464    HA   TYR  58           HA       TYR  58   2.793  -3.124  -1.196
  465   1HB   TYR  58          2HB       TYR  58   0.825  -5.144  -0.143
  466   2HB   TYR  58          1HB       TYR  58   0.341  -3.463  -0.373
  467    HD1  TYR  58           1HD      TYR  58   1.039  -6.623  -1.988
  468    HD2  TYR  58           2HD      TYR  58   0.643  -2.399  -2.660
  469    HE1  TYR  58           1HE      TYR  58   0.762  -7.035  -4.418
  470    HE2  TYR  58           2HE      TYR  58   0.365  -2.811  -5.089
  471    HH   TYR  58           HH       TYR  58   1.265  -5.229  -6.656
  472    H    GLU  59           H        GLU  59   3.801  -4.414   1.717
  473    HA   GLU  59           HA       GLU  59   2.520  -2.325   3.399
  474   1HB   GLU  59          2HB       GLU  59   3.394  -3.651   5.242
  475   2HB   GLU  59          1HB       GLU  59   2.649  -4.732   4.074
  476   1HG   GLU  59          2HG       GLU  59   4.625  -5.878   4.288
  477   2HG   GLU  59          1HG       GLU  59   5.189  -4.690   3.113
  478    H    GLN  60           H        GLN  60   5.554  -3.019   1.819
  479    HA   GLN  60           HA       GLN  60   7.134  -1.197   3.489
  480   1HB   GLN  60          2HB       GLN  60   8.895  -1.759   1.825
  481   2HB   GLN  60          1HB       GLN  60   8.105  -3.202   2.454
  482   1HG   GLN  60          2HG       GLN  60   6.897  -3.554   0.471
  483   2HG   GLN  60          1HG       GLN  60   7.119  -1.894  -0.075
  484   1HE2  GLN  60          1HE2      GLN  60   9.535  -1.290  -0.493
  485   2HE2  GLN  60          2HE2      GLN  60  10.506  -2.489  -1.200
  486    H    LYS  61           H        LYS  61   5.227  -1.008   0.560
  487    HA   LYS  61           HA       LYS  61   6.371   1.334  -0.628
  488   1HB   LYS  61          2HB       LYS  61   4.753  -0.234  -1.686
  489   2HB   LYS  61          1HB       LYS  61   3.501   0.335  -0.582
  490   1HG   LYS  61          2HG       LYS  61   3.547   2.539  -1.519
  491   2HG   LYS  61          1HG       LYS  61   5.020   2.191  -2.427
  492   1HD   LYS  61          2HD       LYS  61   3.852   0.618  -3.845
  493   2HD   LYS  61          1HD       LYS  61   2.395   0.739  -2.856
  494   1HE   LYS  61          2HE       LYS  61   2.437   3.264  -3.423
  495   2HE   LYS  61          1HE       LYS  61   3.578   2.816  -4.706
  496   1HZ   LYS  61          1HZ       LYS  61   2.009   1.169  -5.499
  497   2HZ   LYS  61          2HZ       LYS  61   1.277   2.702  -5.485
  498   3HZ   LYS  61          3HZ       LYS  61   0.914   1.572  -4.268
  499    H    ALA  62           H        ALA  62   3.716   0.946   1.737
  500    HA   ALA  62           HA       ALA  62   3.249   3.801   2.013
  501   1HB   ALA  62          1HB       ALA  62   2.299   1.238   3.127
  502   2HB   ALA  62          2HB       ALA  62   1.380   2.675   2.679
  503   3HB   ALA  62          3HB       ALA  62   2.194   2.600   4.242
  504    H    ALA  63           H        ALA  63   5.717   1.745   3.200
  505    HA   ALA  63           HA       ALA  63   6.153   3.209   5.720
  506   1HB   ALA  63          1HB       ALA  63   8.019   1.620   5.918
  507   2HB   ALA  63          2HB       ALA  63   7.805   1.137   4.236
  508   3HB   ALA  63          3HB       ALA  63   6.557   0.767   5.425
  509    H    LYS  64           H        LYS  64   6.714   3.975   2.505
  510    HA   LYS  64           HA       LYS  64   9.332   5.310   3.016
  511   1HB   LYS  64          2HB       LYS  64   7.726   4.482   0.587
  512   2HB   LYS  64          1HB       LYS  64   9.133   5.532   0.461
  513   1HG   LYS  64          2HG       LYS  64   9.218   2.849   1.851
  514   2HG   LYS  64          1HG       LYS  64   9.578   3.039   0.134
  515   1HD   LYS  64          2HD       LYS  64  10.980   4.894   1.990
  516   2HD   LYS  64          1HD       LYS  64  11.481   3.205   2.040
  517   1HE   LYS  64          2HE       LYS  64  12.790   3.708   0.242
  518   2HE   LYS  64          1HE       LYS  64  11.285   3.746  -0.696
  519   1HZ   LYS  64          1HZ       LYS  64  12.443   6.032   0.811
  520   2HZ   LYS  64          2HZ       LYS  64  10.990   6.063  -0.068
  521   3HZ   LYS  64          3HZ       LYS  64  12.469   5.854  -0.875
  522    H    LEU  65           H        LEU  65   5.965   5.820   2.187
  523    HA   LEU  65           HA       LEU  65   6.277   8.687   1.628
  524   1HB   LEU  65          2HB       LEU  65   4.046   6.670   1.782
  525   2HB   LEU  65          1HB       LEU  65   3.675   8.391   1.682
  526    HG   LEU  65           HG       LEU  65   5.359   8.387  -0.314
  527   1HD1  LEU  65          1HD1      LEU  65   6.292   6.209  -0.153
  528   2HD1  LEU  65          2HD1      LEU  65   5.172   6.116  -1.513
  529   3HD1  LEU  65          3HD1      LEU  65   4.709   5.460   0.057
  530   1HD2  LEU  65          1HD2      LEU  65   3.541   7.985  -1.841
  531   2HD2  LEU  65          2HD2      LEU  65   2.836   8.681  -0.383
  532   3HD2  LEU  65          3HD2      LEU  65   2.718   6.946  -0.678
  533    H    LYS  66           H        LYS  66   6.108   6.797   4.464
  534    HA   LYS  66           HA       LYS  66   4.540   8.666   6.089
  535   1HB   LYS  66          2HB       LYS  66   4.913   6.083   6.297
  536   2HB   LYS  66          1HB       LYS  66   6.426   6.532   7.084
  537   1HG   LYS  66          2HG       LYS  66   5.345   7.548   8.884
  538   2HG   LYS  66          1HG       LYS  66   3.864   7.825   7.967
  539   1HD   LYS  66          2HD       LYS  66   3.366   6.036   9.470
  540   2HD   LYS  66          1HD       LYS  66   3.598   5.285   7.891
  541   1HE   LYS  66          2HE       LYS  66   5.879   4.638   8.475
  542   2HE   LYS  66          1HE       LYS  66   5.756   5.501  10.022
  543   1HZ   LYS  66          1HZ       LYS  66   4.005   3.266   9.139
  544   2HZ   LYS  66          2HZ       LYS  66   3.864   4.110  10.606
  545   3HZ   LYS  66          3HZ       LYS  66   5.234   3.152  10.301
  546    H    GLU  67           H        GLU  67   7.909   8.127   5.228
  547    HA   GLU  67           HA       GLU  67   8.952   9.899   7.339
  548   1HB   GLU  67          2HB       GLU  67  10.042   8.299   5.025
  549   2HB   GLU  67          1HB       GLU  67  11.073   9.442   5.889
  550   1HG   GLU  67          2HG       GLU  67  10.492   8.293   8.026
  551   2HG   GLU  67          1HG       GLU  67   9.569   7.105   7.104
  552    H    LYS  68           H        LYS  68   7.454  10.373   4.334
  553    HA   LYS  68           HA       LYS  68   8.952  12.898   3.774
  554   1HB   LYS  68          2HB       LYS  68   7.119  11.081   2.186
  555   2HB   LYS  68          1HB       LYS  68   7.606  12.670   1.595
  556   1HG   LYS  68          2HG       LYS  68   9.587  10.555   2.468
  557   2HG   LYS  68          1HG       LYS  68   9.057  10.750   0.796
  558   1HD   LYS  68          2HD       LYS  68   9.792  13.157   0.925
  559   2HD   LYS  68          1HD       LYS  68  10.492  12.800   2.504
  560   1HE   LYS  68          2HE       LYS  68  11.216  11.060   0.156
  561   2HE   LYS  68          1HE       LYS  68  12.025  12.625   0.373
  562   1HZ   LYS  68          1HZ       LYS  68  13.195  10.900   1.593
  563   2HZ   LYS  68          2HZ       LYS  68  11.774  10.494   2.431
  564   3HZ   LYS  68          3HZ       LYS  68  12.501  12.010   2.671
  565    H    TYR  69           H        TYR  69   5.781  11.505   4.443
  566    HA   TYR  69           HA       TYR  69   4.295  14.007   4.232
  567   1HB   TYR  69          2HB       TYR  69   3.269  11.820   3.854
  568   2HB   TYR  69          1HB       TYR  69   3.738  11.282   5.464
  569    HD1  TYR  69           1HD      TYR  69   2.027  14.315   4.035
  570    HD2  TYR  69           2HD      TYR  69   1.964  11.168   6.955
  571    HE1  TYR  69           1HE      TYR  69  -0.094  15.212   4.953
  572    HE2  TYR  69           2HE      TYR  69  -0.157  12.064   7.875
  573    HH   TYR  69           HH       TYR  69  -1.309  14.377   7.919
  574    H    GLU  70           H        GLU  70   5.142  11.916   7.014
  575    HA   GLU  70           HA       GLU  70   4.351  13.690   9.084
  576   1HB   GLU  70          2HB       GLU  70   6.436  11.511   8.859
  577   2HB   GLU  70          1HB       GLU  70   6.080  12.309  10.392
  578   1HG   GLU  70          2HG       GLU  70   3.609  11.737   9.899
  579   2HG   GLU  70          1HG       GLU  70   4.247  10.620   8.691
  580    H    LYS  71           H        LYS  71   7.142  13.855   6.994
  581    HA   LYS  71           HA       LYS  71   8.512  15.768   8.829
  582   1HB   LYS  71          2HB       LYS  71   9.270  14.112   6.427
  583   2HB   LYS  71          1HB       LYS  71  10.310  15.427   6.977
  584   1HG   LYS  71          2HG       LYS  71   9.315  13.302   8.878
  585   2HG   LYS  71          1HG       LYS  71  10.787  13.079   7.931
  586   1HD   LYS  71          2HD       LYS  71  11.506  15.382   8.852
  587   2HD   LYS  71          1HD       LYS  71  10.214  15.167  10.034
  588   1HE   LYS  71          2HE       LYS  71  12.354  13.066   9.572
  589   2HE   LYS  71          1HE       LYS  71  12.502  14.341  10.800
  590   1HZ   LYS  71          1HZ       LYS  71  10.378  13.672  11.719
  591   2HZ   LYS  71          2HZ       LYS  71  11.442  12.348  11.708
  592   3HZ   LYS  71          3HZ       LYS  71  10.211  12.462  10.541
  593    H    ASP  72           H        ASP  72   6.788  15.632   5.765
  594    HA   ASP  72           HA       ASP  72   7.665  18.387   5.054
  595   1HB   ASP  72          2HB       ASP  72   7.641  16.444   3.442
  596   2HB   ASP  72          1HB       ASP  72   5.882  16.441   3.567
  597    H    ILE  73           H        ILE  73   4.709  16.576   5.902
  598    HA   ILE  73           HA       ILE  73   2.906  18.784   5.426
  599    HB   ILE  73           HB       ILE  73   2.470  16.251   5.546
  600   1HG1  ILE  73          2HG1      ILE  73   0.184  16.721   6.723
  601   2HG1  ILE  73          1HG1      ILE  73   0.763  18.386   6.791
  602   1HG2  ILE  73          1HG2      ILE  73   1.866  16.650   8.448
  603   2HG2  ILE  73          2HG2      ILE  73   3.529  16.284   7.989
  604   3HG2  ILE  73          3HG2      ILE  73   2.232  15.164   7.571
  605   1HD1  ILE  73          1HD1      ILE  73  -0.607  17.680   4.708
  606   2HD1  ILE  73          2HD1      ILE  73   0.849  16.815   4.218
  607   3HD1  ILE  73          3HD1      ILE  73   0.895  18.564   4.440
  608    H    ALA  74           H        ALA  74   4.914  17.849   8.142
  609    HA   ALA  74           HA       ALA  74   3.608  19.265  10.253
  610   1HB   ALA  74          1HB       ALA  74   5.460  17.603  10.460
  611   2HB   ALA  74          2HB       ALA  74   5.809  19.097  11.330
  612   3HB   ALA  74          3HB       ALA  74   6.569  18.787   9.768
  613    H    ALA  75           H        ALA  75   6.143  20.307   7.963
  614    HA   ALA  75           HA       ALA  75   6.096  23.071   8.984
  615   1HB   ALA  75          1HB       ALA  75   8.183  22.025   8.292
  616   2HB   ALA  75          2HB       ALA  75   7.816  23.334   7.168
  617   3HB   ALA  75          3HB       ALA  75   7.512  21.659   6.701
  618    H    TYR  76           H        TYR  76   4.449  21.234   6.543
  619    HA   TYR  76           HA       TYR  76   3.865  23.498   4.775
  620   1HB   TYR  76          2HB       TYR  76   4.080  21.065   4.121
  621   2HB   TYR  76          1HB       TYR  76   2.569  20.761   4.981
  622    HD1  TYR  76           1HD      TYR  76   4.089  22.745   2.212
  623    HD2  TYR  76           2HD      TYR  76   0.470  21.258   3.987
  624    HE1  TYR  76           1HE      TYR  76   2.807  23.491   0.224
  625    HE2  TYR  76           2HE      TYR  76  -0.811  22.004   1.999
  626    HH   TYR  76           HH       TYR  76   0.600  22.812  -0.899
  627    H    ARG  77           H        ARG  77   2.293  21.816   7.457
  628    HA   ARG  77           HA       ARG  77  -0.159  23.484   7.138
  629   1HB   ARG  77          2HB       ARG  77   0.615  20.972   8.609
  630   2HB   ARG  77          1HB       ARG  77  -0.856  21.844   9.045
  631   1HG   ARG  77          2HG       ARG  77  -1.497  21.761   6.585
  632   2HG   ARG  77          1HG       ARG  77  -0.156  20.637   6.359
  633   1HD   ARG  77          2HD       ARG  77  -1.167  18.965   7.671
  634   2HD   ARG  77          1HD       ARG  77  -2.228  20.126   8.495
  635    HE   ARG  77           HE       ARG  77  -2.536  19.750   5.556
  636   1HH1  ARG  77          1HH2      ARG  77  -3.578  17.837   7.939
  637   2HH1  ARG  77          2HH2      ARG  77  -5.259  18.242   7.855
  638   1HH2  ARG  77          1HH1      ARG  77  -4.765  20.993   5.802
  639   2HH2  ARG  77          2HH1      ARG  77  -5.932  20.029   6.645
  640    H    ALA  78           H        ALA  78   2.780  23.798   8.701
  641    HA   ALA  78           HA       ALA  78   1.955  24.597  11.358
  642   1HB   ALA  78          1HB       ALA  78   4.406  25.334   9.722
  643   2HB   ALA  78          2HB       ALA  78   4.237  23.852  10.665
  644   3HB   ALA  78          3HB       ALA  78   4.266  25.416  11.478
  645    H    LYS  79           H        LYS  79   0.089  26.001  10.603
  646    HA   LYS  79           HA       LYS  79   0.657  28.517   9.238
  647   1HB   LYS  79          2HB       LYS  79  -1.609  27.013  10.351
  648   2HB   LYS  79          1HB       LYS  79  -1.786  28.759  10.512
  649   1HG   LYS  79          2HG       LYS  79  -2.727  28.212   8.388
  650   2HG   LYS  79          1HG       LYS  79  -1.145  28.909   8.041
  651   1HD   LYS  79          2HD       LYS  79  -0.392  26.353   8.265
  652   2HD   LYS  79          1HD       LYS  79  -2.068  26.082   7.785
  653   1HE   LYS  79          2HE       LYS  79  -1.632  27.754   5.877
  654   2HE   LYS  79          1HE       LYS  79   0.090  27.557   6.260
  655   1HZ   LYS  79          1HZ       LYS  79  -0.145  25.177   6.044
  656   2HZ   LYS  79          2HZ       LYS  79  -0.670  25.926   4.612
  657   3HZ   LYS  79          3HZ       LYS  79  -1.805  25.329   5.728
  Start of MODEL    9
    1   1H    MET   1          1HT       MET   1  -7.452   4.656  -9.420
    2   2H    MET   1          2HT       MET   1  -8.393   6.029  -9.080
    3   3H    MET   1          3HT       MET   1  -7.176   5.542  -8.000
    4    HA   MET   1           HA       MET   1  -5.475   6.032  -9.673
    5   1HB   MET   1          2HB       MET   1  -7.335   5.508 -11.439
    6   2HB   MET   1          1HB       MET   1  -7.722   7.223 -11.289
    7   1HG   MET   1          2HG       MET   1  -5.474   7.851 -11.929
    8   2HG   MET   1          1HG       MET   1  -4.947   6.168 -11.896
    9   1HE   MET   1          1HE       MET   1  -6.489   4.460 -14.816
   10   2HE   MET   1          2HE       MET   1  -7.415   4.577 -13.321
   11   3HE   MET   1          3HE       MET   1  -5.664   4.393 -13.253
   12    H    LYS   2           H        LYS   2  -4.858   7.495  -8.032
   13    HA   LYS   2           HA       LYS   2  -6.407  10.036  -7.769
   14   1HB   LYS   2          2HB       LYS   2  -4.689   8.323  -6.074
   15   2HB   LYS   2          1HB       LYS   2  -4.485  10.059  -5.833
   16   1HG   LYS   2          2HG       LYS   2  -7.236   9.803  -5.978
   17   2HG   LYS   2          1HG       LYS   2  -6.759   8.329  -5.140
   18   1HD   LYS   2          2HD       LYS   2  -5.254   9.956  -3.725
   19   2HD   LYS   2          1HD       LYS   2  -6.376  11.184  -4.311
   20   1HE   LYS   2          2HE       LYS   2  -7.714   8.751  -3.325
   21   2HE   LYS   2          1HE       LYS   2  -6.792   9.623  -2.086
   22   1HZ   LYS   2          1HZ       LYS   2  -8.736  10.850  -3.970
   23   2HZ   LYS   2          2HZ       LYS   2  -7.841  11.681  -2.789
   24   3HZ   LYS   2          3HZ       LYS   2  -9.023  10.551  -2.325
   25    H    LYS   3           H        LYS   3  -4.931  12.015  -7.408
   26    HA   LYS   3           HA       LYS   3  -2.263  12.023  -8.519
   27   1HB   LYS   3          2HB       LYS   3  -3.846  11.662 -10.495
   28   2HB   LYS   3          1HB       LYS   3  -4.441  13.296 -10.193
   29   1HG   LYS   3          2HG       LYS   3  -2.064  14.113 -10.378
   30   2HG   LYS   3          1HG       LYS   3  -1.605  12.488 -10.892
   31   1HD   LYS   3          2HD       LYS   3  -2.853  12.633 -12.885
   32   2HD   LYS   3          1HD       LYS   3  -3.825  13.977 -12.285
   33   1HE   LYS   3          2HE       LYS   3  -2.249  14.933 -13.837
   34   2HE   LYS   3          1HE       LYS   3  -1.635  15.330 -12.219
   35   1HZ   LYS   3          1HZ       LYS   3  -0.266  13.340 -12.285
   36   2HZ   LYS   3          2HZ       LYS   3   0.108  14.354 -13.596
   37   3HZ   LYS   3          3HZ       LYS   3  -0.841  12.964 -13.835
   38    H    LYS   4           H        LYS   4  -2.705  13.070  -6.188
   39    HA   LYS   4           HA       LYS   4  -3.666  15.826  -6.274
   40   1HB   LYS   4          2HB       LYS   4  -3.117  15.716  -3.844
   41   2HB   LYS   4          1HB       LYS   4  -4.117  14.359  -4.356
   42   1HG   LYS   4          2HG       LYS   4  -2.339  12.836  -4.238
   43   2HG   LYS   4          1HG       LYS   4  -1.117  14.101  -4.367
   44   1HD   LYS   4          2HD       LYS   4  -1.858  14.948  -2.116
   45   2HD   LYS   4          1HD       LYS   4  -2.896  13.528  -1.985
   46   1HE   LYS   4          2HE       LYS   4   0.079  13.312  -2.527
   47   2HE   LYS   4          1HE       LYS   4  -0.606  13.280  -0.892
   48   1HZ   LYS   4          1HZ       LYS   4  -0.498  11.042  -1.712
   49   2HZ   LYS   4          2HZ       LYS   4  -1.302  11.473  -3.145
   50   3HZ   LYS   4          3HZ       LYS   4  -2.126  11.511  -1.659
   51    H    ASP   5           H        ASP   5  -1.940  17.163  -4.650
   52    HA   ASP   5           HA       ASP   5   0.080  18.218  -6.257
   53   1HB   ASP   5          2HB       ASP   5  -0.621  18.066  -3.401
   54   2HB   ASP   5          1HB       ASP   5   1.074  18.459  -3.701
   55    HA   PRO   6           HA       PRO   6   3.221  15.103  -6.353
   56   1HB   PRO   6          2HB       PRO   6   5.397  16.630  -6.980
   57   2HB   PRO   6          1HB       PRO   6   4.124  16.237  -8.152
   58   1HG   PRO   6          2HG       PRO   6   4.598  18.748  -6.645
   59   2HG   PRO   6          1HG       PRO   6   3.984  18.511  -8.288
   60   1HD   PRO   6          2HD       PRO   6   2.419  19.101  -6.097
   61   2HD   PRO   6          1HD       PRO   6   1.832  18.324  -7.583
   62    H    ASN   7           H        ASN   7   3.730  18.000  -4.376
   63    HA   ASN   7           HA       ASN   7   5.613  16.438  -2.637
   64   1HB   ASN   7          2HB       ASN   7   6.178  18.669  -3.928
   65   2HB   ASN   7          1HB       ASN   7   5.311  19.424  -2.591
   66   1HD2  ASN   7          1HD2      ASN   7   6.191  19.079  -0.381
   67   2HD2  ASN   7          2HD2      ASN   7   7.818  18.644  -0.172
   68    H    ALA   8           H        ALA   8   2.538  16.597  -2.574
   69    HA   ALA   8           HA       ALA   8   2.175  17.825   0.132
   70   1HB   ALA   8          1HB       ALA   8   0.714  18.581  -1.706
   71   2HB   ALA   8          2HB       ALA   8  -0.227  17.717  -0.491
   72   3HB   ALA   8          3HB       ALA   8   0.212  16.916  -1.999
   73    HA   PRO   9           HA       PRO   9   2.258  13.304   0.998
   74   1HB   PRO   9          2HB       PRO   9   3.248  13.519   3.537
   75   2HB   PRO   9          1HB       PRO   9   4.284  13.499   2.097
   76   1HG   PRO   9          2HG       PRO   9   3.374  15.811   3.737
   77   2HG   PRO   9          1HG       PRO   9   4.951  15.506   2.994
   78   1HD   PRO   9          2HD       PRO   9   3.104  17.202   1.934
   79   2HD   PRO   9          1HD       PRO   9   4.297  16.318   0.956
   80    H    LYS  10           H        LYS  10  -0.140  13.660   0.971
   81    HA   LYS  10           HA       LYS  10  -1.644  14.713   3.142
   82   1HB   LYS  10          2HB       LYS  10  -2.072  13.479   0.647
   83   2HB   LYS  10          1HB       LYS  10  -2.914  12.454   1.806
   84   1HG   LYS  10          2HG       LYS  10  -4.434  14.186   1.032
   85   2HG   LYS  10          1HG       LYS  10  -4.035  14.494   2.723
   86   1HD   LYS  10          2HD       LYS  10  -2.560  16.261   2.172
   87   2HD   LYS  10          1HD       LYS  10  -2.463  15.765   0.483
   88   1HE   LYS  10          2HE       LYS  10  -4.787  16.429   0.105
   89   2HE   LYS  10          1HE       LYS  10  -4.976  16.827   1.825
   90   1HZ   LYS  10          1HZ       LYS  10  -4.413  18.817   0.621
   91   2HZ   LYS  10          2HZ       LYS  10  -3.058  18.067  -0.078
   92   3HZ   LYS  10          3HZ       LYS  10  -3.096  18.376   1.592
   93    H    ARG  11           H        ARG  11  -3.377  12.514   3.814
   94    HA   ARG  11           HA       ARG  11  -2.314  11.503   6.186
   95   1HB   ARG  11          2HB       ARG  11  -4.437  10.701   4.249
   96   2HB   ARG  11          1HB       ARG  11  -4.032   9.552   5.525
   97   1HG   ARG  11          2HG       ARG  11  -5.694  10.849   6.545
   98   2HG   ARG  11          1HG       ARG  11  -4.217  11.640   7.099
   99   1HD   ARG  11          2HD       ARG  11  -4.518  13.482   5.700
  100   2HD   ARG  11          1HD       ARG  11  -5.488  12.563   4.531
  101    HE   ARG  11           HE       ARG  11  -6.486  13.337   7.249
  102   1HH1  ARG  11          1HH2      ARG  11  -7.678  11.171   5.284
  103   2HH1  ARG  11          2HH2      ARG  11  -9.037  12.061   4.683
  104   1HH2  ARG  11          1HH1      ARG  11  -7.909  15.111   5.887
  105   2HH2  ARG  11          2HH1      ARG  11  -9.167  14.292   5.024
  106    HA   PRO  12           HA       PRO  12   0.640   8.511   4.741
  107   1HB   PRO  12          2HB       PRO  12   1.117   7.203   7.091
  108   2HB   PRO  12          1HB       PRO  12   1.767   8.815   6.734
  109   1HG   PRO  12          2HG       PRO  12  -0.521   8.035   8.446
  110   2HG   PRO  12          1HG       PRO  12   0.635   9.359   8.632
  111   1HD   PRO  12          2HD       PRO  12  -1.945   9.634   7.687
  112   2HD   PRO  12          1HD       PRO  12  -0.626  10.790   7.404
  113    HA   PRO  13           HA       PRO  13  -2.213   5.071   4.293
  114   1HB   PRO  13          2HB       PRO  13  -0.860   3.739   2.332
  115   2HB   PRO  13          1HB       PRO  13  -1.834   5.188   2.018
  116   1HG   PRO  13          2HG       PRO  13   1.093   4.875   2.128
  117   2HG   PRO  13          1HG       PRO  13   0.112   6.042   1.234
  118   1HD   PRO  13          2HD       PRO  13   1.512   6.507   3.630
  119   2HD   PRO  13          1HD       PRO  13   0.318   7.581   2.873
  120    H    SER  14           H        SER  14  -1.798   2.521   4.142
  121    HA   SER  14           HA       SER  14   0.647   1.562   5.446
  122   1HB   SER  14          2HB       SER  14  -1.857   2.225   6.896
  123   2HB   SER  14          1HB       SER  14  -1.113   0.685   7.321
  124    HG   SER  14           HG       SER  14  -0.005   3.290   7.423
  125    H    ALA  15           H        ALA  15   0.020   0.529   3.123
  126    HA   ALA  15           HA       ALA  15  -0.453  -1.461   2.006
  127   1HB   ALA  15          1HB       ALA  15  -1.468  -3.059   4.187
  128   2HB   ALA  15          2HB       ALA  15  -0.065  -2.148   4.743
  129   3HB   ALA  15          3HB       ALA  15   0.072  -3.208   3.342
  130    H    PHE  16           H        PHE  16  -2.892  -1.744   4.610
  131    HA   PHE  16           HA       PHE  16  -5.086  -2.407   2.995
  132   1HB   PHE  16          2HB       PHE  16  -4.754  -2.300   5.544
  133   2HB   PHE  16          1HB       PHE  16  -5.232  -0.610   5.415
  134    HD1  PHE  16           1HD      PHE  16  -7.433  -0.158   4.026
  135    HD2  PHE  16           2HD      PHE  16  -6.416  -3.929   5.815
  136    HE1  PHE  16           1HE      PHE  16  -9.819  -0.834   3.959
  137    HE2  PHE  16           2HE      PHE  16  -8.801  -4.604   5.748
  138    HZ   PHE  16           HZ       PHE  16 -10.503  -3.056   4.820
  139    H    PHE  17           H        PHE  17  -3.994   0.858   3.961
  140    HA   PHE  17           HA       PHE  17  -6.125   2.319   2.710
  141   1HB   PHE  17          2HB       PHE  17  -4.313   3.032   4.420
  142   2HB   PHE  17          1HB       PHE  17  -3.266   3.254   3.018
  143    HD1  PHE  17           1HD      PHE  17  -6.040   4.601   4.937
  144    HD2  PHE  17           2HD      PHE  17  -3.942   4.853   1.197
  145    HE1  PHE  17           1HE      PHE  17  -7.082   6.809   4.501
  146    HE2  PHE  17           2HE      PHE  17  -4.984   7.061   0.761
  147    HZ   PHE  17           HZ       PHE  17  -6.554   8.039   2.414
  148    H    LEU  18           H        LEU  18  -3.105   0.939   1.500
  149    HA   LEU  18           HA       LEU  18  -3.122   2.344  -1.043
  150   1HB   LEU  18          2HB       LEU  18  -1.787  -0.262  -0.227
  151   2HB   LEU  18          1HB       LEU  18  -1.304   0.791  -1.553
  152    HG   LEU  18           HG       LEU  18  -1.239   1.509   1.401
  153   1HD1  LEU  18          1HD1      LEU  18   1.252   1.621   0.900
  154   2HD1  LEU  18          2HD1      LEU  18   0.898   0.811  -0.625
  155   3HD1  LEU  18          3HD1      LEU  18   0.553   0.002   0.903
  156   1HD2  LEU  18          1HD2      LEU  18   0.046   3.519   0.476
  157   2HD2  LEU  18          2HD2      LEU  18  -1.688   3.516   0.157
  158   3HD2  LEU  18          3HD2      LEU  18  -0.556   3.059  -1.116
  159    H    PHE  19           H        PHE  19  -4.099  -0.922   0.038
  160    HA   PHE  19           HA       PHE  19  -4.900  -1.901  -2.544
  161   1HB   PHE  19          2HB       PHE  19  -4.419  -3.177  -0.394
  162   2HB   PHE  19          1HB       PHE  19  -6.004  -2.656   0.176
  163    HD1  PHE  19           1HD      PHE  19  -4.192  -4.853  -2.119
  164    HD2  PHE  19           2HD      PHE  19  -8.069  -3.399  -0.979
  165    HE1  PHE  19           1HE      PHE  19  -5.256  -6.702  -3.382
  166    HE2  PHE  19           2HE      PHE  19  -9.133  -5.248  -2.242
  167    HZ   PHE  19           HZ       PHE  19  -7.727  -6.900  -3.443
  168    H    CYS  20           H        CYS  20  -6.794  -0.475   0.141
  169    HA   CYS  20           HA       CYS  20  -9.331  -0.536  -1.221
  170   1HB   CYS  20          2HB       CYS  20  -8.772  -0.247   1.269
  171   2HB   CYS  20          1HB       CYS  20  -8.423   1.439   0.888
  172    HG   CYS  20           HG       CYS  20 -10.906   1.763   0.173
  173    H    SER  21           H        SER  21  -6.643   1.730  -1.212
  174    HA   SER  21           HA       SER  21  -8.175   3.800  -2.663
  175   1HB   SER  21          2HB       SER  21  -6.506   4.258  -0.851
  176   2HB   SER  21          1HB       SER  21  -5.244   3.635  -1.909
  177    HG   SER  21           HG       SER  21  -5.243   5.748  -2.353
  178    H    GLU  22           H        GLU  22  -6.890   0.950  -3.738
  179    HA   GLU  22           HA       GLU  22  -6.197   2.159  -6.379
  180   1HB   GLU  22          2HB       GLU  22  -4.637   0.246  -4.678
  181   2HB   GLU  22          1HB       GLU  22  -4.369   0.338  -6.415
  182   1HG   GLU  22          2HG       GLU  22  -4.337   2.812  -4.686
  183   2HG   GLU  22          1HG       GLU  22  -2.890   1.829  -4.911
  184    H    TYR  23           H        TYR  23  -8.179  -0.037  -4.780
  185    HA   TYR  23           HA       TYR  23  -8.399  -1.756  -7.229
  186   1HB   TYR  23          2HB       TYR  23  -8.362  -2.314  -4.293
  187   2HB   TYR  23          1HB       TYR  23  -9.376  -3.337  -5.310
  188    HD1  TYR  23           1HD      TYR  23  -5.989  -2.532  -4.300
  189    HD2  TYR  23           2HD      TYR  23  -8.345  -4.534  -7.282
  190    HE1  TYR  23           1HE      TYR  23  -3.984  -3.793  -5.037
  191    HE2  TYR  23           2HE      TYR  23  -6.340  -5.795  -8.019
  192    HH   TYR  23           HH       TYR  23  -3.920  -5.603  -7.945
  193    H    ARG  24           H        ARG  24  -9.886   0.795  -6.248
  194    HA   ARG  24           HA       ARG  24 -12.602  -0.178  -5.763
  195   1HB   ARG  24          2HB       ARG  24 -11.446   2.582  -6.226
  196   2HB   ARG  24          1HB       ARG  24 -13.090   2.236  -5.689
  197   1HG   ARG  24          2HG       ARG  24 -12.298   1.227  -3.651
  198   2HG   ARG  24          1HG       ARG  24 -10.625   1.293  -4.206
  199   1HD   ARG  24          2HD       ARG  24 -10.418   3.534  -3.715
  200   2HD   ARG  24          1HD       ARG  24 -12.102   3.886  -4.156
  201    HE   ARG  24           HE       ARG  24 -11.464   2.358  -1.664
  202   1HH1  ARG  24          1HH2      ARG  24 -14.167   3.399  -3.024
  203   2HH1  ARG  24          2HH2      ARG  24 -14.599   4.594  -1.847
  204   1HH2  ARG  24          1HH1      ARG  24 -11.505   4.558  -0.284
  205   2HH2  ARG  24          2HH1      ARG  24 -13.092   5.250  -0.295
  206    HA   PRO  25           HA       PRO  25 -13.261   1.767 -10.129
  207   1HB   PRO  25          2HB       PRO  25 -11.092   1.879 -11.798
  208   2HB   PRO  25          1HB       PRO  25 -11.620   3.233 -10.781
  209   1HG   PRO  25          2HG       PRO  25  -9.430   1.271 -10.335
  210   2HG   PRO  25          1HG       PRO  25  -9.473   3.012 -10.009
  211   1HD   PRO  25          2HD       PRO  25  -9.768   1.146  -8.092
  212   2HD   PRO  25          1HD       PRO  25 -10.539   2.741  -7.991
  213    H    LYS  26           H        LYS  26 -11.212  -0.898  -9.335
  214    HA   LYS  26           HA       LYS  26 -11.558  -2.442 -11.782
  215   1HB   LYS  26          2HB       LYS  26  -9.785  -2.665  -9.939
  216   2HB   LYS  26          1HB       LYS  26 -11.052  -3.402  -8.953
  217   1HG   LYS  26          2HG       LYS  26 -10.526  -4.443 -11.725
  218   2HG   LYS  26          1HG       LYS  26  -9.487  -4.945 -10.391
  219   1HD   LYS  26          2HD       LYS  26 -11.701  -5.467  -9.142
  220   2HD   LYS  26          1HD       LYS  26 -12.447  -5.398 -10.738
  221   1HE   LYS  26          2HE       LYS  26 -10.699  -7.077 -11.516
  222   2HE   LYS  26          1HE       LYS  26 -10.257  -7.279  -9.808
  223   1HZ   LYS  26          1HZ       LYS  26 -12.528  -7.814  -9.283
  224   2HZ   LYS  26          2HZ       LYS  26 -11.999  -8.850 -10.522
  225   3HZ   LYS  26          3HZ       LYS  26 -13.016  -7.537 -10.882
  226    H    ILE  27           H        ILE  27 -12.989  -2.540  -8.520
  227    HA   ILE  27           HA       ILE  27 -14.935  -4.550  -8.858
  228    HB   ILE  27           HB       ILE  27 -15.202  -1.933  -7.331
  229   1HG1  ILE  27          2HG1      ILE  27 -13.092  -2.885  -6.656
  230   2HG1  ILE  27          1HG1      ILE  27 -14.253  -3.245  -5.394
  231   1HG2  ILE  27          1HG2      ILE  27 -16.527  -3.393  -5.763
  232   2HG2  ILE  27          2HG2      ILE  27 -16.449  -4.663  -6.984
  233   3HG2  ILE  27          3HG2      ILE  27 -17.268  -3.143  -7.344
  234   1HD1  ILE  27          1HD1      ILE  27 -13.167  -5.109  -7.502
  235   2HD1  ILE  27          2HD1      ILE  27 -14.614  -5.487  -6.567
  236   3HD1  ILE  27          3HD1      ILE  27 -13.067  -5.269  -5.749
  237    H    LYS  28           H        LYS  28 -14.997  -1.154  -9.780
  238    HA   LYS  28           HA       LYS  28 -17.816  -1.026 -10.375
  239   1HB   LYS  28          2HB       LYS  28 -15.854   0.768 -11.771
  240   2HB   LYS  28          1HB       LYS  28 -17.397   1.165 -11.035
  241   1HG   LYS  28          2HG       LYS  28 -14.736   0.760  -9.701
  242   2HG   LYS  28          1HG       LYS  28 -15.732   2.196  -9.686
  243   1HD   LYS  28          2HD       LYS  28 -16.323  -0.425  -8.266
  244   2HD   LYS  28          1HD       LYS  28 -15.858   1.098  -7.520
  245   1HE   LYS  28          2HE       LYS  28 -18.335   0.884  -9.256
  246   2HE   LYS  28          1HE       LYS  28 -18.377   0.576  -7.508
  247   1HZ   LYS  28          1HZ       LYS  28 -17.397   3.038  -8.856
  248   2HZ   LYS  28          2HZ       LYS  28 -17.240   2.730  -7.193
  249   3HZ   LYS  28          3HZ       LYS  28 -18.782   2.900  -7.886
  250    H    SER  29           H        SER  29 -14.947  -1.736 -12.339
  251    HA   SER  29           HA       SER  29 -16.122  -1.677 -14.925
  252   1HB   SER  29          2HB       SER  29 -13.698  -1.888 -14.336
  253   2HB   SER  29          1HB       SER  29 -13.997  -3.550 -13.833
  254    HG   SER  29           HG       SER  29 -14.336  -4.124 -15.884
  255    H    GLU  30           H        GLU  30 -16.403  -4.049 -12.355
  256    HA   GLU  30           HA       GLU  30 -17.930  -5.859 -14.196
  257   1HB   GLU  30          2HB       GLU  30 -15.905  -6.209 -12.099
  258   2HB   GLU  30          1HB       GLU  30 -17.300  -7.262 -11.880
  259   1HG   GLU  30          2HG       GLU  30 -15.961  -6.994 -14.570
  260   2HG   GLU  30          1HG       GLU  30 -15.359  -8.130 -13.361
  261    H    HIS  31           H        HIS  31 -18.046  -3.984 -11.236
  262    HA   HIS  31           HA       HIS  31 -20.838  -4.968 -10.748
  263   1HB   HIS  31          2HB       HIS  31 -18.891  -3.750  -8.759
  264   2HB   HIS  31          1HB       HIS  31 -20.419  -4.544  -8.395
  265    HD1  HIS  31           1HD      HIS  31 -16.847  -5.220  -9.156
  266    HD2  HIS  31           2HD      HIS  31 -20.354  -7.428  -8.702
  267    HE1  HIS  31           1HE      HIS  31 -16.144  -7.638  -8.950
  268    HA   PRO  32           HA       PRO  32 -21.230  -0.552 -11.847
  269   1HB   PRO  32          2HB       PRO  32 -23.757  -0.747 -12.877
  270   2HB   PRO  32          1HB       PRO  32 -22.298  -1.105 -13.813
  271   1HG   PRO  32          2HG       PRO  32 -24.239  -2.959 -12.567
  272   2HG   PRO  32          1HG       PRO  32 -23.305  -3.132 -14.059
  273   1HD   PRO  32          2HD       PRO  32 -22.696  -4.357 -11.665
  274   2HD   PRO  32          1HD       PRO  32 -21.547  -4.080 -12.990
  275    H    GLY  33           H        GLY  33 -23.402  -2.698 -10.106
  276   1HA   GLY  33          2HA       GLY  33 -24.873  -0.491  -8.850
  277   2HA   GLY  33          1HA       GLY  33 -25.090  -2.207  -8.524
  278    H    LEU  34           H        LEU  34 -21.926  -2.150  -8.245
  279    HA   LEU  34           HA       LEU  34 -21.809  -2.229  -5.403
  280   1HB   LEU  34          2HB       LEU  34 -20.086  -2.525  -7.692
  281   2HB   LEU  34          1HB       LEU  34 -19.254  -1.544  -6.493
  282    HG   LEU  34           HG       LEU  34 -18.826  -3.979  -6.200
  283   1HD1  LEU  34          1HD1      LEU  34 -19.916  -3.932  -3.724
  284   2HD1  LEU  34          2HD1      LEU  34 -20.053  -2.226  -4.149
  285   3HD1  LEU  34          3HD1      LEU  34 -18.476  -3.014  -4.164
  286   1HD2  LEU  34          1HD2      LEU  34 -20.486  -5.526  -6.115
  287   2HD2  LEU  34          2HD2      LEU  34 -21.527  -4.262  -6.768
  288   3HD2  LEU  34          3HD2      LEU  34 -21.464  -4.540  -5.028
  289    H    SER  35           H        SER  35 -22.928  -0.187  -4.807
  290    HA   SER  35           HA       SER  35 -21.831   2.420  -5.417
  291   1HB   SER  35          2HB       SER  35 -24.128   2.161  -4.733
  292   2HB   SER  35          1HB       SER  35 -23.656   1.321  -3.259
  293    HG   SER  35           HG       SER  35 -23.450   4.044  -3.936
  294    H    ILE  36           H        ILE  36 -20.984   3.877  -3.566
  295    HA   ILE  36           HA       ILE  36 -18.506   2.986  -2.560
  296    HB   ILE  36           HB       ILE  36 -20.435   5.095  -1.532
  297   1HG1  ILE  36          2HG1      ILE  36 -19.736   5.388  -3.884
  298   2HG1  ILE  36          1HG1      ILE  36 -19.024   6.633  -2.860
  299   1HG2  ILE  36          1HG2      ILE  36 -17.535   4.539  -0.873
  300   2HG2  ILE  36          2HG2      ILE  36 -18.885   4.751   0.242
  301   3HG2  ILE  36          3HG2      ILE  36 -18.254   6.134  -0.651
  302   1HD1  ILE  36          1HD1      ILE  36 -17.668   4.159  -3.963
  303   2HD1  ILE  36          2HD1      ILE  36 -16.954   5.165  -2.703
  304   3HD1  ILE  36          3HD1      ILE  36 -17.271   5.845  -4.298
  305    H    GLY  37           H        GLY  37 -21.727   2.644  -1.173
  306   1HA   GLY  37          2HA       GLY  37 -21.009   1.973   1.498
  307   2HA   GLY  37          1HA       GLY  37 -22.483   1.435   0.691
  308    H    ASP  38           H        ASP  38 -22.000  -0.342  -1.049
  309    HA   ASP  38           HA       ASP  38 -20.853  -2.619   0.312
  310   1HB   ASP  38          2HB       ASP  38 -22.708  -2.309  -1.559
  311   2HB   ASP  38          1HB       ASP  38 -21.336  -2.531  -2.645
  312    H    THR  39           H        THR  39 -19.627  -0.352  -2.098
  313    HA   THR  39           HA       THR  39 -17.351  -1.864  -2.989
  314    HB   THR  39           HB       THR  39 -17.825   1.125  -2.750
  315    HG1  THR  39           1HG      THR  39 -18.648   0.933  -4.773
  316   1HG2  THR  39          1HG2      THR  39 -16.181   1.150  -4.712
  317   2HG2  THR  39          2HG2      THR  39 -15.767  -0.502  -4.253
  318   3HG2  THR  39          3HG2      THR  39 -15.488   0.824  -3.124
  319    H    ALA  40           H        ALA  40 -17.928   0.107  -0.130
  320    HA   ALA  40           HA       ALA  40 -15.121   0.280   0.660
  321   1HB   ALA  40          1HB       ALA  40 -16.135   1.207   2.727
  322   2HB   ALA  40          2HB       ALA  40 -17.725   0.684   2.172
  323   3HB   ALA  40          3HB       ALA  40 -16.848   1.932   1.286
  324    H    LYS  41           H        LYS  41 -17.925  -1.675   1.698
  325    HA   LYS  41           HA       LYS  41 -16.262  -3.255   3.533
  326   1HB   LYS  41          2HB       LYS  41 -18.396  -4.309   4.098
  327   2HB   LYS  41          1HB       LYS  41 -18.585  -2.561   4.047
  328   1HG   LYS  41          2HG       LYS  41 -19.306  -2.966   1.562
  329   2HG   LYS  41          1HG       LYS  41 -19.558  -4.627   2.086
  330   1HD   LYS  41          2HD       LYS  41 -21.645  -3.374   2.311
  331   2HD   LYS  41          1HD       LYS  41 -21.036  -3.809   3.907
  332   1HE   LYS  41          2HE       LYS  41 -19.871  -1.281   3.233
  333   2HE   LYS  41          1HE       LYS  41 -21.611  -1.182   2.896
  334   1HZ   LYS  41          1HZ       LYS  41 -20.364  -2.181   5.403
  335   2HZ   LYS  41          2HZ       LYS  41 -22.030  -2.202   5.070
  336   3HZ   LYS  41          3HZ       LYS  41 -21.209  -0.722   5.220
  337    H    LYS  42           H        LYS  42 -17.089  -3.478   0.186
  338    HA   LYS  42           HA       LYS  42 -17.038  -6.395  -0.003
  339   1HB   LYS  42          2HB       LYS  42 -18.227  -4.948  -1.607
  340   2HB   LYS  42          1HB       LYS  42 -16.705  -4.182  -2.060
  341   1HG   LYS  42          2HG       LYS  42 -17.337  -5.898  -3.705
  342   2HG   LYS  42          1HG       LYS  42 -15.858  -6.365  -2.864
  343   1HD   LYS  42          2HD       LYS  42 -16.851  -8.145  -1.835
  344   2HD   LYS  42          1HD       LYS  42 -18.364  -7.277  -1.579
  345   1HE   LYS  42          2HE       LYS  42 -19.272  -8.051  -3.528
  346   2HE   LYS  42          1HE       LYS  42 -17.744  -7.887  -4.414
  347   1HZ   LYS  42          1HZ       LYS  42 -18.415 -10.233  -3.988
  348   2HZ   LYS  42          2HZ       LYS  42 -18.236  -9.941  -2.325
  349   3HZ   LYS  42          3HZ       LYS  42 -16.893  -9.831  -3.360
  350    H    LEU  43           H        LEU  43 -14.773  -3.879  -1.203
  351    HA   LEU  43           HA       LEU  43 -12.602  -5.463  -1.937
  352   1HB   LEU  43          2HB       LEU  43 -12.765  -2.753  -0.600
  353   2HB   LEU  43          1HB       LEU  43 -11.265  -3.395  -1.268
  354    HG   LEU  43           HG       LEU  43 -13.784  -3.280  -2.923
  355   1HD1  LEU  43          1HD1      LEU  43 -13.031  -1.118  -3.799
  356   2HD1  LEU  43          2HD1      LEU  43 -11.655  -1.129  -2.695
  357   3HD1  LEU  43          3HD1      LEU  43 -13.295  -0.998  -2.059
  358   1HD2  LEU  43          1HD2      LEU  43 -10.818  -3.300  -3.572
  359   2HD2  LEU  43          2HD2      LEU  43 -12.117  -3.248  -4.763
  360   3HD2  LEU  43          3HD2      LEU  43 -11.921  -4.667  -3.734
  361    H    GLY  44           H        GLY  44 -13.680  -4.759   1.336
  362   1HA   GLY  44          2HA       GLY  44 -11.214  -5.496   2.664
  363   2HA   GLY  44          1HA       GLY  44 -12.803  -5.383   3.428
  364    H    GLU  45           H        GLU  45 -14.142  -7.217   1.669
  365    HA   GLU  45           HA       GLU  45 -13.815  -9.695   2.974
  366   1HB   GLU  45          2HB       GLU  45 -15.502  -8.600   1.135
  367   2HB   GLU  45          1HB       GLU  45 -14.627  -9.746   0.120
  368   1HG   GLU  45          2HG       GLU  45 -15.213 -11.587   1.566
  369   2HG   GLU  45          1HG       GLU  45 -15.902 -10.490   2.765
  370    H    MET  46           H        MET  46 -12.257  -8.516   0.001
  371    HA   MET  46           HA       MET  46 -10.890 -11.031  -0.572
  372   1HB   MET  46          2HB       MET  46 -10.600  -8.164  -1.524
  373   2HB   MET  46          1HB       MET  46  -9.688  -9.511  -2.210
  374   1HG   MET  46          2HG       MET  46 -12.000 -10.640  -2.532
  375   2HG   MET  46          1HG       MET  46 -12.663  -9.023  -2.290
  376   1HE   MET  46          1HE       MET  46  -9.937 -11.050  -4.500
  377   2HE   MET  46          2HE       MET  46 -10.940 -10.876  -5.938
  378   3HE   MET  46          3HE       MET  46 -11.635 -11.546  -4.464
  379    H    TRP  47           H        TRP  47  -9.843  -7.844   0.671
  380    HA   TRP  47           HA       TRP  47  -7.120  -8.309   1.118
  381   1HB   TRP  47          2HB       TRP  47  -8.490  -6.208   1.457
  382   2HB   TRP  47          1HB       TRP  47  -9.008  -6.875   3.006
  383    HD1  TRP  47           HD       TRP  47  -7.582  -6.138   4.963
  384    HE1  TRP  47           1HE      TRP  47  -5.141  -5.380   5.297
  385    HE3  TRP  47           3HE      TRP  47  -5.846  -6.620   0.184
  386    HZ2  TRP  47           2HZ      TRP  47  -2.766  -5.025   3.744
  387    HZ3  TRP  47           3HZ      TRP  47  -3.492  -6.066  -0.360
  388    HH2  TRP  47           HH       TRP  47  -1.951  -5.271   1.413
  389    H    SER  48           H        SER  48  -9.732  -8.898   3.521
  390    HA   SER  48           HA       SER  48  -8.106 -10.071   5.539
  391   1HB   SER  48          2HB       SER  48 -10.485  -9.275   5.704
  392   2HB   SER  48          1HB       SER  48 -10.983 -10.707   4.810
  393    HG   SER  48           HG       SER  48 -10.474 -11.951   6.492
  394    H    GLU  49           H        GLU  49  -9.681 -11.518   2.705
  395    HA   GLU  49           HA       GLU  49  -9.254 -14.275   3.346
  396   1HB   GLU  49          2HB       GLU  49  -9.898 -12.584   1.009
  397   2HB   GLU  49          1HB       GLU  49  -9.131 -14.119   0.604
  398   1HG   GLU  49          2HG       GLU  49 -11.509 -13.894   2.466
  399   2HG   GLU  49          1HG       GLU  49 -11.661 -14.202   0.736
  400    H    GLN  50           H        GLN  50  -7.203 -11.887   1.685
  401    HA   GLN  50           HA       GLN  50  -5.110 -13.585   0.791
  402   1HB   GLN  50          2HB       GLN  50  -5.142 -10.726   1.805
  403   2HB   GLN  50          1HB       GLN  50  -3.771 -11.449   0.961
  404   1HG   GLN  50          2HG       GLN  50  -6.499 -11.606  -0.279
  405   2HG   GLN  50          1HG       GLN  50  -5.583 -10.103  -0.399
  406   1HE2  GLN  50          1HE2      GLN  50  -4.686 -10.107  -2.478
  407   2HE2  GLN  50          2HE2      GLN  50  -3.836 -11.409  -3.158
  408    H    SER  51           H        SER  51  -3.059 -14.080   1.752
  409    HA   SER  51           HA       SER  51  -3.147 -14.307   4.728
  410   1HB   SER  51          2HB       SER  51  -1.324 -15.640   2.701
  411   2HB   SER  51          1HB       SER  51  -1.595 -16.132   4.371
  412    HG   SER  51           HG       SER  51  -2.822 -17.147   2.457
  413    H    ALA  52           H        ALA  52  -0.216 -14.695   4.837
  414    HA   ALA  52           HA       ALA  52   0.575 -11.854   4.948
  415   1HB   ALA  52          1HB       ALA  52   2.578 -12.868   6.064
  416   2HB   ALA  52          2HB       ALA  52   1.923 -14.467   5.710
  417   3HB   ALA  52          3HB       ALA  52   1.058 -13.381   6.798
  418    H    LYS  53           H        LYS  53   0.211 -12.445   2.292
  419    HA   LYS  53           HA       LYS  53   3.019 -12.646   1.257
  420   1HB   LYS  53          2HB       LYS  53   0.834 -14.447   0.913
  421   2HB   LYS  53          1HB       LYS  53   1.060 -13.626  -0.630
  422   1HG   LYS  53          2HG       LYS  53   3.575 -14.137  -0.318
  423   2HG   LYS  53          1HG       LYS  53   3.050 -15.284   0.917
  424   1HD   LYS  53          2HD       LYS  53   1.573 -16.377  -0.754
  425   2HD   LYS  53          1HD       LYS  53   2.169 -15.263  -1.986
  426   1HE   LYS  53          2HE       LYS  53   4.110 -16.929  -0.381
  427   2HE   LYS  53          1HE       LYS  53   3.315 -17.596  -1.820
  428   1HZ   LYS  53          1HZ       LYS  53   5.375 -16.463  -2.414
  429   2HZ   LYS  53          2HZ       LYS  53   4.809 -15.028  -1.705
  430   3HZ   LYS  53          3HZ       LYS  53   4.036 -15.663  -3.078
  431    H    ASP  54           H        ASP  54  -0.329 -11.749   0.351
  432    HA   ASP  54           HA       ASP  54   0.394  -9.962  -1.777
  433   1HB   ASP  54          2HB       ASP  54  -1.845 -11.079  -1.196
  434   2HB   ASP  54          1HB       ASP  54  -2.056  -9.791  -0.009
  435    H    LYS  55           H        LYS  55   0.273  -9.554   1.708
  436    HA   LYS  55           HA       LYS  55   0.246  -6.625   1.626
  437   1HB   LYS  55          2HB       LYS  55  -0.727  -7.994   3.455
  438   2HB   LYS  55          1HB       LYS  55   0.881  -8.605   3.840
  439   1HG   LYS  55          2HG       LYS  55   1.644  -6.460   4.533
  440   2HG   LYS  55          1HG       LYS  55   0.259  -5.648   3.801
  441   1HD   LYS  55          2HD       LYS  55  -1.202  -6.323   5.491
  442   2HD   LYS  55          1HD       LYS  55  -0.200  -7.703   5.944
  443   1HE   LYS  55          2HE       LYS  55   0.151  -6.128   7.698
  444   2HE   LYS  55          1HE       LYS  55   1.564  -5.911   6.645
  445   1HZ   LYS  55          1HZ       LYS  55   0.435  -4.137   5.499
  446   2HZ   LYS  55          2HZ       LYS  55   0.455  -3.791   7.162
  447   3HZ   LYS  55          3HZ       LYS  55  -0.965  -4.365   6.427
  448    H    GLN  56           H        GLN  56   2.680  -9.183   2.002
  449    HA   GLN  56           HA       GLN  56   4.936  -7.884   2.921
  450   1HB   GLN  56          2HB       GLN  56   4.317 -10.069   1.037
  451   2HB   GLN  56          1HB       GLN  56   5.939  -9.399   0.865
  452   1HG   GLN  56          2HG       GLN  56   4.768 -10.253   3.524
  453   2HG   GLN  56          1HG       GLN  56   5.759 -11.308   2.518
  454   1HE2  GLN  56          1HE2      GLN  56   8.046 -10.753   2.257
  455   2HE2  GLN  56          2HE2      GLN  56   8.802  -9.636   3.287
  456    HA   PRO  57           HA       PRO  57   6.026  -6.002  -1.306
  457   1HB   PRO  57          2HB       PRO  57   4.279  -6.190  -3.385
  458   2HB   PRO  57          1HB       PRO  57   5.492  -7.437  -3.035
  459   1HG   PRO  57          2HG       PRO  57   2.589  -7.410  -2.469
  460   2HG   PRO  57          1HG       PRO  57   3.636  -8.763  -2.916
  461   1HD   PRO  57          2HD       PRO  57   2.743  -8.223  -0.357
  462   2HD   PRO  57          1HD       PRO  57   4.169  -9.204  -0.754
  463    H    TYR  58           H        TYR  58   2.513  -5.910  -0.721
  464    HA   TYR  58           HA       TYR  58   2.292  -3.096  -1.529
  465   1HB   TYR  58          2HB       TYR  58   0.633  -5.350  -1.272
  466   2HB   TYR  58          1HB       TYR  58   0.043  -4.222  -0.053
  467    HD1  TYR  58           1HD      TYR  58  -1.126  -2.232  -0.665
  468    HD2  TYR  58           2HD      TYR  58   0.837  -4.596  -3.669
  469    HE1  TYR  58           1HE      TYR  58  -2.237  -0.902  -2.439
  470    HE2  TYR  58           2HE      TYR  58  -0.275  -3.265  -5.442
  471    HH   TYR  58           HH       TYR  58  -1.263  -0.817  -5.554
  472    H    GLU  59           H        GLU  59   3.592  -4.377   1.243
  473    HA   GLU  59           HA       GLU  59   2.288  -2.411   3.069
  474   1HB   GLU  59          2HB       GLU  59   3.343  -3.754   4.831
  475   2HB   GLU  59          1HB       GLU  59   2.477  -4.804   3.718
  476   1HG   GLU  59          2HG       GLU  59   4.387  -5.975   3.443
  477   2HG   GLU  59          1HG       GLU  59   5.067  -4.566   2.634
  478    H    GLN  60           H        GLN  60   5.295  -3.036   1.388
  479    HA   GLN  60           HA       GLN  60   6.948  -1.271   3.009
  480   1HB   GLN  60          2HB       GLN  60   8.588  -1.700   1.246
  481   2HB   GLN  60          1HB       GLN  60   7.748  -3.200   1.622
  482   1HG   GLN  60          2HG       GLN  60   6.184  -2.659  -0.322
  483   2HG   GLN  60          1HG       GLN  60   7.319  -1.385  -0.762
  484   1HE2  GLN  60          1HE2      GLN  60   9.453  -2.028  -1.537
  485   2HE2  GLN  60          2HE2      GLN  60   9.778  -3.627  -2.007
  486    H    LYS  61           H        LYS  61   4.738  -0.838   0.341
  487    HA   LYS  61           HA       LYS  61   5.704   1.598  -0.785
  488   1HB   LYS  61          2HB       LYS  61   3.957   0.163  -1.762
  489   2HB   LYS  61          1HB       LYS  61   2.888   0.518  -0.406
  490   1HG   LYS  61          2HG       LYS  61   2.550   2.737  -1.084
  491   2HG   LYS  61          1HG       LYS  61   4.014   2.761  -2.067
  492   1HD   LYS  61          2HD       LYS  61   2.887   0.983  -3.526
  493   2HD   LYS  61          1HD       LYS  61   1.397   1.371  -2.665
  494   1HE   LYS  61          2HE       LYS  61   1.597   3.735  -3.361
  495   2HE   LYS  61          1HE       LYS  61   3.095   3.348  -4.230
  496   1HZ   LYS  61          1HZ       LYS  61   0.470   2.035  -4.695
  497   2HZ   LYS  61          2HZ       LYS  61   1.908   1.734  -5.547
  498   3HZ   LYS  61          3HZ       LYS  61   1.135   3.240  -5.685
  499    H    ALA  62           H        ALA  62   3.516   1.016   1.986
  500    HA   ALA  62           HA       ALA  62   3.053   3.837   2.505
  501   1HB   ALA  62          1HB       ALA  62   1.405   2.365   3.292
  502   2HB   ALA  62          2HB       ALA  62   2.309   2.720   4.764
  503   3HB   ALA  62          3HB       ALA  62   2.592   1.210   3.897
  504    H    ALA  63           H        ALA  63   5.744   1.779   3.078
  505    HA   ALA  63           HA       ALA  63   6.670   3.125   5.521
  506   1HB   ALA  63          1HB       ALA  63   8.419   1.525   5.402
  507   2HB   ALA  63          2HB       ALA  63   8.251   1.353   3.655
  508   3HB   ALA  63          3HB       ALA  63   7.022   0.684   4.729
  509    H    LYS  64           H        LYS  64   6.483   4.155   2.363
  510    HA   LYS  64           HA       LYS  64   9.135   5.527   2.376
  511   1HB   LYS  64          2HB       LYS  64   7.046   4.806   0.316
  512   2HB   LYS  64          1HB       LYS  64   8.302   5.990  -0.040
  513   1HG   LYS  64          2HG       LYS  64   8.835   3.174   0.945
  514   2HG   LYS  64          1HG       LYS  64   8.917   3.668  -0.747
  515   1HD   LYS  64          2HD       LYS  64  10.545   5.518   0.145
  516   2HD   LYS  64          1HD       LYS  64  10.712   4.447   1.537
  517   1HE   LYS  64          2HE       LYS  64  10.962   3.250  -1.204
  518   2HE   LYS  64          1HE       LYS  64  12.333   4.165  -0.545
  519   1HZ   LYS  64          1HZ       LYS  64  10.887   1.983   0.865
  520   2HZ   LYS  64          2HZ       LYS  64  12.212   2.855   1.471
  521   3HZ   LYS  64          3HZ       LYS  64  12.409   1.828   0.133
  522    H    LEU  65           H        LEU  65   5.650   6.017   2.341
  523    HA   LEU  65           HA       LEU  65   5.839   8.937   2.054
  524   1HB   LEU  65          2HB       LEU  65   3.711   6.841   2.389
  525   2HB   LEU  65          1HB       LEU  65   3.296   8.537   2.642
  526    HG   LEU  65           HG       LEU  65   4.507   8.922   0.361
  527   1HD1  LEU  65          1HD1      LEU  65   4.096   6.835  -1.107
  528   2HD1  LEU  65          2HD1      LEU  65   4.033   5.940   0.411
  529   3HD1  LEU  65          3HD1      LEU  65   5.501   6.808  -0.040
  530   1HD2  LEU  65          1HD2      LEU  65   1.884   7.405   0.328
  531   2HD2  LEU  65          2HD2      LEU  65   2.413   8.659  -0.792
  532   3HD2  LEU  65          3HD2      LEU  65   2.020   9.077   0.875
  533    H    LYS  66           H        LYS  66   6.520   6.905   4.610
  534    HA   LYS  66           HA       LYS  66   5.212   8.522   6.719
  535   1HB   LYS  66          2HB       LYS  66   5.485   5.952   6.618
  536   2HB   LYS  66          1HB       LYS  66   7.178   6.242   7.021
  537   1HG   LYS  66          2HG       LYS  66   6.592   7.297   9.096
  538   2HG   LYS  66          1HG       LYS  66   4.884   7.346   8.659
  539   1HD   LYS  66          2HD       LYS  66   4.781   4.894   8.691
  540   2HD   LYS  66          1HD       LYS  66   6.501   4.814   9.076
  541   1HE   LYS  66          2HE       LYS  66   6.151   5.863  11.225
  542   2HE   LYS  66          1HE       LYS  66   4.462   6.237  10.823
  543   1HZ   LYS  66          1HZ       LYS  66   4.025   3.879  10.576
  544   2HZ   LYS  66          2HZ       LYS  66   4.628   4.196  12.133
  545   3HZ   LYS  66          3HZ       LYS  66   5.636   3.508  10.951
  546    H    GLU  67           H        GLU  67   8.376   7.933   5.273
  547    HA   GLU  67           HA       GLU  67   9.823   9.526   7.276
  548   1HB   GLU  67          2HB       GLU  67  10.424   8.010   4.751
  549   2HB   GLU  67          1HB       GLU  67  11.632   9.122   5.399
  550   1HG   GLU  67          2HG       GLU  67  11.392   7.942   7.623
  551   2HG   GLU  67          1HG       GLU  67  10.397   6.738   6.803
  552    H    LYS  68           H        LYS  68   8.010  10.195   4.431
  553    HA   LYS  68           HA       LYS  68   9.446  12.773   3.961
  554   1HB   LYS  68          2HB       LYS  68   7.770  10.869   2.385
  555   2HB   LYS  68          1HB       LYS  68   7.661  12.576   1.955
  556   1HG   LYS  68          2HG       LYS  68   9.435  11.792   0.615
  557   2HG   LYS  68          1HG       LYS  68  10.258  12.529   1.991
  558   1HD   LYS  68          2HD       LYS  68  10.302  10.242   3.070
  559   2HD   LYS  68          1HD       LYS  68   9.714   9.584   1.544
  560   1HE   LYS  68          2HE       LYS  68  12.194  11.318   1.668
  561   2HE   LYS  68          1HE       LYS  68  12.265   9.554   1.864
  562   1HZ   LYS  68          1HZ       LYS  68  10.943  10.958  -0.399
  563   2HZ   LYS  68          2HZ       LYS  68  11.110   9.277  -0.214
  564   3HZ   LYS  68          3HZ       LYS  68  12.481  10.246  -0.477
  565    H    TYR  69           H        TYR  69   6.409  11.334   4.977
  566    HA   TYR  69           HA       TYR  69   4.842  13.794   4.888
  567   1HB   TYR  69          2HB       TYR  69   3.773  11.638   4.660
  568   2HB   TYR  69          1HB       TYR  69   4.523  11.045   6.138
  569    HD1  TYR  69           1HD      TYR  69   2.652  14.201   5.299
  570    HD2  TYR  69           2HD      TYR  69   2.908  10.701   7.775
  571    HE1  TYR  69           1HE      TYR  69   0.701  14.987   6.614
  572    HE2  TYR  69           2HE      TYR  69   0.959  11.488   9.090
  573    HH   TYR  69           HH       TYR  69  -0.049  14.185   9.443
  574    H    GLU  70           H        GLU  70   6.157  11.802   7.573
  575    HA   GLU  70           HA       GLU  70   5.529  13.661   9.661
  576   1HB   GLU  70          2HB       GLU  70   7.515  11.408   9.326
  577   2HB   GLU  70          1HB       GLU  70   7.339  12.275  10.853
  578   1HG   GLU  70          2HG       GLU  70   4.856  11.755  10.736
  579   2HG   GLU  70          1HG       GLU  70   5.224  10.680   9.387
  580    H    LYS  71           H        LYS  71   8.000  13.803   7.243
  581    HA   LYS  71           HA       LYS  71   9.642  15.666   8.907
  582   1HB   LYS  71          2HB       LYS  71  10.407  13.518   7.536
  583   2HB   LYS  71          1HB       LYS  71  10.428  14.665   6.196
  584   1HG   LYS  71          2HG       LYS  71  12.045  16.039   7.249
  585   2HG   LYS  71          1HG       LYS  71  11.780  15.288   8.823
  586   1HD   LYS  71          2HD       LYS  71  12.780  13.672   6.481
  587   2HD   LYS  71          1HD       LYS  71  13.894  14.590   7.495
  588   1HE   LYS  71          2HE       LYS  71  12.664  13.393   9.486
  589   2HE   LYS  71          1HE       LYS  71  12.185  12.227   8.237
  590   1HZ   LYS  71          1HZ       LYS  71  14.966  13.163   8.707
  591   2HZ   LYS  71          2HZ       LYS  71  14.475  11.993   7.577
  592   3HZ   LYS  71          3HZ       LYS  71  14.349  11.678   9.242
  593    H    ASP  72           H        ASP  72   7.725  15.476   5.932
  594    HA   ASP  72           HA       ASP  72   8.510  18.234   5.162
  595   1HB   ASP  72          2HB       ASP  72   8.304  16.161   3.639
  596   2HB   ASP  72          1HB       ASP  72   6.560  16.391   3.779
  597    H    ILE  73           H        ILE  73   5.646  16.446   6.309
  598    HA   ILE  73           HA       ILE  73   3.727  18.514   5.844
  599    HB   ILE  73           HB       ILE  73   3.483  15.998   6.450
  600   1HG1  ILE  73          2HG1      ILE  73   1.268  16.577   7.686
  601   2HG1  ILE  73          1HG1      ILE  73   1.754  18.254   7.436
  602   1HG2  ILE  73          1HG2      ILE  73   3.265  17.079   9.264
  603   2HG2  ILE  73          2HG2      ILE  73   4.745  16.329   8.668
  604   3HG2  ILE  73          3HG2      ILE  73   3.249  15.397   8.735
  605   1HD1  ILE  73          1HD1      ILE  73   0.306  17.407   5.591
  606   2HD1  ILE  73          2HD1      ILE  73   1.522  16.180   5.234
  607   3HD1  ILE  73          3HD1      ILE  73   1.905  17.889   5.022
  608    H    ALA  74           H        ALA  74   6.180  18.180   8.305
  609    HA   ALA  74           HA       ALA  74   5.037  19.873  10.332
  610   1HB   ALA  74          1HB       ALA  74   7.341  19.919  11.161
  611   2HB   ALA  74          2HB       ALA  74   7.943  19.395   9.589
  612   3HB   ALA  74          3HB       ALA  74   6.974  18.298  10.572
  613    H    ALA  75           H        ALA  75   7.268  20.548   7.623
  614    HA   ALA  75           HA       ALA  75   7.237  23.444   8.148
  615   1HB   ALA  75          1HB       ALA  75   8.662  23.397   6.056
  616   2HB   ALA  75          2HB       ALA  75   8.395  21.655   5.987
  617   3HB   ALA  75          3HB       ALA  75   9.257  22.362   7.353
  618    H    TYR  76           H        TYR  76   5.611  21.139   6.048
  619    HA   TYR  76           HA       TYR  76   4.608  22.970   4.071
  620   1HB   TYR  76          2HB       TYR  76   4.705  20.448   3.983
  621   2HB   TYR  76          1HB       TYR  76   3.361  20.410   5.125
  622    HD1  TYR  76           1HD      TYR  76   1.115  20.993   4.450
  623    HD2  TYR  76           2HD      TYR  76   4.398  21.380   1.707
  624    HE1  TYR  76           1HE      TYR  76  -0.484  21.302   2.580
  625    HE2  TYR  76           2HE      TYR  76   2.799  21.689  -0.164
  626    HH   TYR  76           HH       TYR  76  -0.319  20.865  -0.069
  627    H    ARG  77           H        ARG  77   3.263  21.797   7.159
  628    HA   ARG  77           HA       ARG  77   0.725  23.127   6.970
  629   1HB   ARG  77          2HB       ARG  77   2.467  22.042   9.181
  630   2HB   ARG  77          1HB       ARG  77   0.948  22.855   9.561
  631   1HG   ARG  77          2HG       ARG  77  -0.129  21.273   7.838
  632   2HG   ARG  77          1HG       ARG  77   1.365  20.341   7.942
  633   1HD   ARG  77          2HD       ARG  77   0.986  19.724  10.166
  634   2HD   ARG  77          1HD       ARG  77  -0.069  21.118  10.474
  635    HE   ARG  77           HE       ARG  77  -1.830  20.012   9.199
  636   1HH1  ARG  77          1HH1      ARG  77  -0.743  17.891  11.148
  637   2HH1  ARG  77          2HH1      ARG  77  -0.668  16.509  10.105
  638   1HH2  ARG  77          1HH2      ARG  77  -0.960  18.362   7.189
  639   2HH2  ARG  77          2HH2      ARG  77  -0.791  16.776   7.865
  640    H    ALA  78           H        ALA  78   3.235  24.026   9.346
  641    HA   ALA  78           HA       ALA  78   3.883  26.141  10.173
  642   1HB   ALA  78          1HB       ALA  78   4.551  27.638   8.456
  643   2HB   ALA  78          2HB       ALA  78   3.247  27.121   7.387
  644   3HB   ALA  78          3HB       ALA  78   4.616  26.051   7.690
  645    H    LYS  79           H        LYS  79   1.251  25.566  10.812
  646    HA   LYS  79           HA       LYS  79  -0.403  27.920  10.071
  647   1HB   LYS  79          2HB       LYS  79  -0.764  25.181  11.123
  648   2HB   LYS  79          1HB       LYS  79  -1.897  26.376  11.749
  649   1HG   LYS  79          2HG       LYS  79  -2.430  27.049   9.413
  650   2HG   LYS  79          1HG       LYS  79  -1.361  25.775   8.826
  651   1HD   LYS  79          2HD       LYS  79  -2.734  24.085   9.994
  652   2HD   LYS  79          1HD       LYS  79  -3.811  25.361  10.565
  653   1HE   LYS  79          2HE       LYS  79  -3.256  24.978   7.614
  654   2HE   LYS  79          1HE       LYS  79  -4.563  24.109   8.443
  655   1HZ   LYS  79          1HZ       LYS  79  -5.355  26.248   9.303
  656   2HZ   LYS  79          2HZ       LYS  79  -5.391  26.204   7.605
  657   3HZ   LYS  79          3HZ       LYS  79  -4.160  27.053   8.410
  Start of MODEL   10
    1   1H    MET   1          1HT       MET   1  -8.842  23.409   1.467
    2   2H    MET   1          2HT       MET   1  -9.999  23.440   2.713
    3   3H    MET   1          3HT       MET   1 -10.384  24.051   1.175
    4    HA   MET   1           HA       MET   1 -11.400  21.885   1.438
    5   1HB   MET   1          2HB       MET   1  -9.962  22.879  -0.634
    6   2HB   MET   1          1HB       MET   1  -9.092  21.369  -0.365
    7   1HG   MET   1          2HG       MET   1 -10.934  20.053  -0.883
    8   2HG   MET   1          1HG       MET   1 -12.087  21.312  -0.439
    9   1HE   MET   1          1HE       MET   1 -13.287  22.879  -2.714
   10   2HE   MET   1          2HE       MET   1 -13.491  21.331  -1.897
   11   3HE   MET   1          3HE       MET   1 -13.402  21.385  -3.656
   12    H    LYS   2           H        LYS   2 -10.412  19.444   0.947
   13    HA   LYS   2           HA       LYS   2  -9.029  18.724   3.441
   14   1HB   LYS   2          2HB       LYS   2 -10.445  17.374   1.173
   15   2HB   LYS   2          1HB       LYS   2  -9.360  16.404   2.169
   16   1HG   LYS   2          2HG       LYS   2 -11.501  16.226   3.204
   17   2HG   LYS   2          1HG       LYS   2 -10.592  17.369   4.194
   18   1HD   LYS   2          2HD       LYS   2 -11.788  19.210   3.406
   19   2HD   LYS   2          1HD       LYS   2 -12.264  18.391   1.917
   20   1HE   LYS   2          2HE       LYS   2 -13.417  16.791   3.854
   21   2HE   LYS   2          1HE       LYS   2 -13.587  18.420   4.537
   22   1HZ   LYS   2          1HZ       LYS   2 -14.324  17.609   1.774
   23   2HZ   LYS   2          2HZ       LYS   2 -14.439  19.184   2.401
   24   3HZ   LYS   2          3HZ       LYS   2 -15.414  17.943   3.030
   25    H    LYS   3           H        LYS   3  -8.449  18.011  -0.027
   26    HA   LYS   3           HA       LYS   3  -5.819  16.976   0.271
   27   1HB   LYS   3          2HB       LYS   3  -7.492  16.977  -1.713
   28   2HB   LYS   3          1HB       LYS   3  -6.794  18.546  -2.118
   29   1HG   LYS   3          2HG       LYS   3  -4.560  17.551  -2.249
   30   2HG   LYS   3          1HG       LYS   3  -5.211  15.983  -1.769
   31   1HD   LYS   3          2HD       LYS   3  -6.713  16.082  -3.798
   32   2HD   LYS   3          1HD       LYS   3  -5.820  17.515  -4.310
   33   1HE   LYS   3          2HE       LYS   3  -3.707  16.188  -4.265
   34   2HE   LYS   3          1HE       LYS   3  -4.655  14.744  -3.852
   35   1HZ   LYS   3          1HZ       LYS   3  -4.348  14.937  -6.255
   36   2HZ   LYS   3          2HZ       LYS   3  -5.086  16.468  -6.237
   37   3HZ   LYS   3          3HZ       LYS   3  -5.985  15.082  -5.836
   38    H    LYS   4           H        LYS   4  -4.276  18.171   1.362
   39    HA   LYS   4           HA       LYS   4  -4.074  21.007   1.460
   40   1HB   LYS   4          2HB       LYS   4  -2.199  18.689   1.904
   41   2HB   LYS   4          1HB       LYS   4  -1.629  20.349   2.088
   42   1HG   LYS   4          2HG       LYS   4  -3.280  20.802   3.791
   43   2HG   LYS   4          1HG       LYS   4  -4.071  19.251   3.506
   44   1HD   LYS   4          2HD       LYS   4  -2.279  18.030   4.446
   45   2HD   LYS   4          1HD       LYS   4  -1.171  19.398   4.324
   46   1HE   LYS   4          2HE       LYS   4  -1.792  19.281   6.640
   47   2HE   LYS   4          1HE       LYS   4  -2.762  20.606   5.967
   48   1HZ   LYS   4          1HZ       LYS   4  -4.164  19.065   7.196
   49   2HZ   LYS   4          2HZ       LYS   4  -3.631  17.774   6.228
   50   3HZ   LYS   4          3HZ       LYS   4  -4.552  19.029   5.546
   51    H    ASP   5           H        ASP   5  -1.614  18.965  -0.131
   52    HA   ASP   5           HA       ASP   5  -1.803  20.489  -2.648
   53   1HB   ASP   5          2HB       ASP   5   0.227  20.938  -0.502
   54   2HB   ASP   5          1HB       ASP   5   0.788  20.997  -2.173
   55    HA   PRO   6           HA       PRO   6   0.057  16.817  -4.226
   56   1HB   PRO   6          2HB       PRO   6   1.712  17.709  -6.212
   57   2HB   PRO   6          1HB       PRO   6  -0.057  17.714  -6.356
   58   1HG   PRO   6          2HG       PRO   6   1.796  19.954  -5.727
   59   2HG   PRO   6          1HG       PRO   6   0.326  19.946  -6.712
   60   1HD   PRO   6          2HD       PRO   6   0.431  20.895  -4.154
   61   2HD   PRO   6          1HD       PRO   6  -1.042  20.244  -4.906
   62    H    ASN   7           H        ASN   7   2.548  19.382  -3.955
   63    HA   ASN   7           HA       ASN   7   4.694  17.472  -3.437
   64   1HB   ASN   7          2HB       ASN   7   4.442  20.487  -3.218
   65   2HB   ASN   7          1HB       ASN   7   5.964  19.610  -3.057
   66   1HD2  ASN   7          1HD2      ASN   7   6.921  20.431  -5.019
   67   2HD2  ASN   7          2HD2      ASN   7   6.316  20.039  -6.556
   68    H    ALA   8           H        ALA   8   2.234  18.767  -1.439
   69    HA   ALA   8           HA       ALA   8   3.838  18.880   1.029
   70   1HB   ALA   8          1HB       ALA   8   1.927  20.388   0.586
   71   2HB   ALA   8          2HB       ALA   8   1.612  19.391   2.006
   72   3HB   ALA   8          3HB       ALA   8   0.854  18.994   0.463
   73    HA   PRO   9           HA       PRO   9   3.311  14.549   1.821
   74   1HB   PRO   9          2HB       PRO   9   3.696  14.513   4.529
   75   2HB   PRO   9          1HB       PRO   9   5.021  14.702   3.366
   76   1HG   PRO   9          2HG       PRO   9   3.613  16.767   4.984
   77   2HG   PRO   9          1HG       PRO   9   5.334  16.618   4.591
   78   1HD   PRO   9          2HD       PRO   9   3.662  18.345   3.317
   79   2HD   PRO   9          1HD       PRO   9   5.089  17.622   2.541
   80    H    LYS  10           H        LYS  10   1.055  14.352   1.356
   81    HA   LYS  10           HA       LYS  10  -1.052  15.233   3.089
   82   1HB   LYS  10          2HB       LYS  10  -0.663  13.628   0.677
   83   2HB   LYS  10          1HB       LYS  10  -2.035  13.093   1.641
   84   1HG   LYS  10          2HG       LYS  10  -3.197  15.056   1.319
   85   2HG   LYS  10          1HG       LYS  10  -1.730  16.027   1.193
   86   1HD   LYS  10          2HD       LYS  10  -2.748  15.931  -1.002
   87   2HD   LYS  10          1HD       LYS  10  -1.290  14.939  -1.035
   88   1HE   LYS  10          2HE       LYS  10  -2.982  13.010  -0.327
   89   2HE   LYS  10          1HE       LYS  10  -4.160  14.080  -1.113
   90   1HZ   LYS  10          1HZ       LYS  10  -2.670  14.229  -3.027
   91   2HZ   LYS  10          2HZ       LYS  10  -3.142  12.622  -2.743
   92   3HZ   LYS  10          3HZ       LYS  10  -1.592  13.149  -2.288
   93    H    ARG  11           H        ARG  11  -2.676  13.171   3.713
   94    HA   ARG  11           HA       ARG  11  -1.711  12.038   6.091
   95   1HB   ARG  11          2HB       ARG  11  -3.882  11.449   4.122
   96   2HB   ARG  11          1HB       ARG  11  -3.582  10.257   5.388
   97   1HG   ARG  11          2HG       ARG  11  -4.125  11.753   7.106
   98   2HG   ARG  11          1HG       ARG  11  -3.828  13.170   6.098
   99   1HD   ARG  11          2HD       ARG  11  -5.826  12.461   4.689
  100   2HD   ARG  11          1HD       ARG  11  -6.188  11.270   5.954
  101    HE   ARG  11           HE       ARG  11  -6.309  13.183   7.565
  102   1HH1  ARG  11          1HH1      ARG  11  -8.327  13.404   5.184
  103   2HH1  ARG  11          2HH1      ARG  11  -8.253  15.111   4.896
  104   1HH2  ARG  11          1HH2      ARG  11  -5.372  15.571   6.770
  105   2HH2  ARG  11          2HH2      ARG  11  -6.581  16.337   5.794
  106    HA   PRO  12           HA       PRO  12   1.039   8.911   4.497
  107   1HB   PRO  12          2HB       PRO  12   1.483   7.524   6.810
  108   2HB   PRO  12          1HB       PRO  12   2.239   9.091   6.461
  109   1HG   PRO  12          2HG       PRO  12  -0.081   8.456   8.201
  110   2HG   PRO  12          1HG       PRO  12   1.201   9.656   8.414
  111   1HD   PRO  12          2HD       PRO  12  -1.334  10.244   7.543
  112   2HD   PRO  12          1HD       PRO  12   0.100  11.234   7.197
  113    HA   PRO  13           HA       PRO  13  -2.060   5.690   4.058
  114   1HB   PRO  13          2HB       PRO  13  -0.850   4.307   2.041
  115   2HB   PRO  13          1HB       PRO  13  -1.728   5.825   1.776
  116   1HG   PRO  13          2HG       PRO  13   1.171   5.309   1.800
  117   2HG   PRO  13          1HG       PRO  13   0.251   6.563   0.962
  118   1HD   PRO  13          2HD       PRO  13   1.742   6.866   3.331
  119   2HD   PRO  13          1HD       PRO  13   0.616   8.043   2.627
  120    H    SER  14           H        SER  14  -1.924   3.155   3.987
  121    HA   SER  14           HA       SER  14   0.521   2.006   5.176
  122   1HB   SER  14          2HB       SER  14  -0.771   3.144   7.013
  123   2HB   SER  14          1HB       SER  14  -2.117   2.060   6.675
  124    HG   SER  14           HG       SER  14  -0.406   1.500   8.357
  125    H    ALA  15           H        ALA  15  -0.122   1.017   2.872
  126    HA   ALA  15           HA       ALA  15  -0.715  -0.922   1.722
  127   1HB   ALA  15          1HB       ALA  15  -1.807  -2.488   3.887
  128   2HB   ALA  15          2HB       ALA  15  -0.367  -1.642   4.453
  129   3HB   ALA  15          3HB       ALA  15  -0.272  -2.699   3.046
  130    H    PHE  16           H        PHE  16  -3.190  -1.120   4.312
  131    HA   PHE  16           HA       PHE  16  -5.396  -1.723   2.727
  132   1HB   PHE  16          2HB       PHE  16  -5.065  -1.488   5.280
  133   2HB   PHE  16          1HB       PHE  16  -5.505   0.203   5.048
  134    HD1  PHE  16           1HD      PHE  16  -7.742   0.718   5.400
  135    HD2  PHE  16           2HD      PHE  16  -6.710  -3.150   3.844
  136    HE1  PHE  16           1HE      PHE  16 -10.141   0.095   5.354
  137    HE2  PHE  16           2HE      PHE  16  -9.110  -3.773   3.800
  138    HZ   PHE  16           HZ       PHE  16 -10.826  -2.151   4.555
  139    H    PHE  17           H        PHE  17  -4.203   1.541   3.540
  140    HA   PHE  17           HA       PHE  17  -6.257   3.017   2.188
  141   1HB   PHE  17          2HB       PHE  17  -4.465   3.754   3.891
  142   2HB   PHE  17          1HB       PHE  17  -3.363   3.844   2.517
  143    HD1  PHE  17           1HD      PHE  17  -6.112   5.439   4.269
  144    HD2  PHE  17           2HD      PHE  17  -3.916   5.358   0.577
  145    HE1  PHE  17           1HE      PHE  17  -7.029   7.665   3.674
  146    HE2  PHE  17           2HE      PHE  17  -4.833   7.585  -0.017
  147    HZ   PHE  17           HZ       PHE  17  -6.389   8.739   1.532
  148    H    LEU  18           H        LEU  18  -3.343   1.393   1.035
  149    HA   LEU  18           HA       LEU  18  -3.435   2.721  -1.600
  150   1HB   LEU  18          2HB       LEU  18  -1.765   0.347  -0.725
  151   2HB   LEU  18          1HB       LEU  18  -1.395   1.513  -1.988
  152    HG   LEU  18           HG       LEU  18  -1.475   2.066   0.997
  153   1HD1  LEU  18          1HD1      LEU  18   0.518   0.848   0.351
  154   2HD1  LEU  18          2HD1      LEU  18   0.962   2.534   0.618
  155   3HD1  LEU  18          3HD1      LEU  18   0.777   1.919  -1.025
  156   1HD2  LEU  18          1HD2      LEU  18  -1.210   3.841  -1.425
  157   2HD2  LEU  18          2HD2      LEU  18  -0.389   4.280   0.073
  158   3HD2  LEU  18          3HD2      LEU  18  -2.145   4.108   0.046
  159    H    PHE  19           H        PHE  19  -4.424  -0.320  -0.112
  160    HA   PHE  19           HA       PHE  19  -4.833  -1.758  -2.612
  161   1HB   PHE  19          2HB       PHE  19  -4.341  -2.763  -0.375
  162   2HB   PHE  19          1HB       PHE  19  -5.922  -2.220   0.184
  163    HD1  PHE  19           1HD      PHE  19  -8.004  -3.095  -0.941
  164    HD2  PHE  19           2HD      PHE  19  -4.104  -4.723  -1.711
  165    HE1  PHE  19           1HE      PHE  19  -9.044  -5.133  -1.899
  166    HE2  PHE  19           2HE      PHE  19  -5.144  -6.760  -2.669
  167    HZ   PHE  19           HZ       PHE  19  -7.613  -6.965  -2.763
  168    H    CYS  20           H        CYS  20  -7.104  -0.416  -0.181
  169    HA   CYS  20           HA       CYS  20  -9.486  -0.866  -1.710
  170   1HB   CYS  20          2HB       CYS  20  -9.147  -0.317   0.780
  171   2HB   CYS  20          1HB       CYS  20  -9.008   1.368   0.277
  172    HG   CYS  20           HG       CYS  20 -11.482   0.681  -0.960
  173    H    SER  21           H        SER  21  -7.220   1.851  -1.577
  174    HA   SER  21           HA       SER  21  -8.796   3.688  -3.155
  175   1HB   SER  21          2HB       SER  21  -6.959   4.333  -1.643
  176   2HB   SER  21          1HB       SER  21  -5.810   3.467  -2.659
  177    HG   SER  21           HG       SER  21  -7.348   5.766  -3.275
  178    H    GLU  22           H        GLU  22  -6.809   0.944  -4.017
  179    HA   GLU  22           HA       GLU  22  -6.762   1.842  -6.869
  180   1HB   GLU  22          2HB       GLU  22  -5.047   0.144  -5.113
  181   2HB   GLU  22          1HB       GLU  22  -5.024  -0.146  -6.851
  182   1HG   GLU  22          2HG       GLU  22  -4.562   2.559  -5.558
  183   2HG   GLU  22          1HG       GLU  22  -3.275   1.485  -6.108
  184    H    TYR  23           H        TYR  23  -8.133  -0.530  -4.720
  185    HA   TYR  23           HA       TYR  23  -8.688  -2.466  -6.884
  186   1HB   TYR  23          2HB       TYR  23  -8.917  -2.295  -3.920
  187   2HB   TYR  23          1HB       TYR  23 -10.038  -3.381  -4.737
  188    HD1  TYR  23           1HD      TYR  23  -9.341  -5.554  -5.225
  189    HD2  TYR  23           2HD      TYR  23  -6.399  -2.459  -4.760
  190    HE1  TYR  23           1HE      TYR  23  -7.535  -7.231  -5.499
  191    HE2  TYR  23           2HE      TYR  23  -4.591  -4.136  -5.033
  192    HH   TYR  23           HH       TYR  23  -5.128  -7.461  -4.851
  193    H    ARG  24           H        ARG  24 -10.428   0.004  -5.025
  194    HA   ARG  24           HA       ARG  24 -13.096  -0.607  -5.524
  195   1HB   ARG  24          2HB       ARG  24 -11.580   2.001  -5.459
  196   2HB   ARG  24          1HB       ARG  24 -13.340   1.934  -5.574
  197   1HG   ARG  24          2HG       ARG  24 -13.558   0.866  -3.476
  198   2HG   ARG  24          1HG       ARG  24 -11.853   0.421  -3.431
  199   1HD   ARG  24          2HD       ARG  24 -11.559   2.291  -2.162
  200   2HD   ARG  24          1HD       ARG  24 -11.806   3.212  -3.659
  201    HE   ARG  24           HE       ARG  24 -14.359   2.833  -2.999
  202   1HH1  ARG  24          1HH1      ARG  24 -13.113   5.381  -2.095
  203   2HH1  ARG  24          2HH1      ARG  24 -13.404   5.355  -0.388
  204   1HH2  ARG  24          1HH2      ARG  24 -14.122   1.963  -0.294
  205   2HH2  ARG  24          2HH2      ARG  24 -13.975   3.420   0.631
  206    HA   PRO  25           HA       PRO  25 -12.906   1.690  -9.812
  207   1HB   PRO  25          2HB       PRO  25 -10.434   1.703 -11.022
  208   2HB   PRO  25          1HB       PRO  25 -11.070   3.058 -10.065
  209   1HG   PRO  25          2HG       PRO  25  -9.223   0.860  -9.223
  210   2HG   PRO  25          1HG       PRO  25  -9.097   2.606  -8.930
  211   1HD   PRO  25          2HD       PRO  25  -9.986   1.005  -7.026
  212   2HD   PRO  25          1HD       PRO  25 -10.762   2.581  -7.287
  213    H    LYS  26           H        LYS  26 -10.843  -1.018  -8.962
  214    HA   LYS  26           HA       LYS  26 -11.104  -2.500 -11.447
  215   1HB   LYS  26          2HB       LYS  26  -9.466  -2.736  -9.425
  216   2HB   LYS  26          1HB       LYS  26 -10.782  -3.645  -8.674
  217   1HG   LYS  26          2HG       LYS  26  -9.819  -4.322 -11.451
  218   2HG   LYS  26          1HG       LYS  26  -9.012  -4.980 -10.027
  219   1HD   LYS  26          2HD       LYS  26 -11.383  -5.681  -9.256
  220   2HD   LYS  26          1HD       LYS  26 -11.858  -5.401 -10.932
  221   1HE   LYS  26          2HE       LYS  26 -10.472  -7.128 -11.746
  222   2HE   LYS  26          1HE       LYS  26  -9.470  -7.137 -10.280
  223   1HZ   LYS  26          1HZ       LYS  26 -11.384  -7.872  -9.008
  224   2HZ   LYS  26          2HZ       LYS  26 -11.065  -8.969 -10.266
  225   3HZ   LYS  26          3HZ       LYS  26 -12.350  -7.866 -10.402
  226    H    ILE  27           H        ILE  27 -12.730  -2.563  -8.292
  227    HA   ILE  27           HA       ILE  27 -14.629  -4.617  -8.730
  228    HB   ILE  27           HB       ILE  27 -14.806  -2.017  -7.160
  229   1HG1  ILE  27          2HG1      ILE  27 -12.855  -3.459  -6.579
  230   2HG1  ILE  27          1HG1      ILE  27 -14.010  -3.332  -5.259
  231   1HG2  ILE  27          1HG2      ILE  27 -16.412  -3.347  -5.719
  232   2HG2  ILE  27          2HG2      ILE  27 -16.452  -4.552  -7.006
  233   3HG2  ILE  27          3HG2      ILE  27 -17.025  -2.913  -7.314
  234   1HD1  ILE  27          1HD1      ILE  27 -13.814  -5.635  -7.219
  235   2HD1  ILE  27          2HD1      ILE  27 -14.990  -5.503  -5.912
  236   3HD1  ILE  27          3HD1      ILE  27 -13.272  -5.657  -5.541
  237    H    LYS  28           H        LYS  28 -14.693  -1.183  -9.640
  238    HA   LYS  28           HA       LYS  28 -17.469  -1.109 -10.400
  239   1HB   LYS  28          2HB       LYS  28 -15.338   0.651 -11.612
  240   2HB   LYS  28          1HB       LYS  28 -16.986   1.072 -11.181
  241   1HG   LYS  28          2HG       LYS  28 -14.552   0.884  -9.458
  242   2HG   LYS  28          1HG       LYS  28 -15.750   2.151  -9.528
  243   1HD   LYS  28          2HD       LYS  28 -16.051  -0.562  -8.194
  244   2HD   LYS  28          1HD       LYS  28 -15.954   1.005  -7.408
  245   1HE   LYS  28          2HE       LYS  28 -18.134   0.495  -9.436
  246   2HE   LYS  28          1HE       LYS  28 -18.325  -0.033  -7.754
  247   1HZ   LYS  28          1HZ       LYS  28 -17.589   2.708  -8.636
  248   2HZ   LYS  28          2HZ       LYS  28 -17.740   2.197  -7.023
  249   3HZ   LYS  28          3HZ       LYS  28 -19.105   2.241  -8.034
  250    H    SER  29           H        SER  29 -14.488  -1.742 -12.234
  251    HA   SER  29           HA       SER  29 -15.549  -1.725 -14.865
  252   1HB   SER  29          2HB       SER  29 -13.149  -1.852 -14.162
  253   2HB   SER  29          1HB       SER  29 -13.411  -3.529 -13.688
  254    HG   SER  29           HG       SER  29 -13.471  -4.100 -15.731
  255    H    GLU  30           H        GLU  30 -15.863  -4.124 -12.326
  256    HA   GLU  30           HA       GLU  30 -17.233  -5.972 -14.254
  257   1HB   GLU  30          2HB       GLU  30 -15.277  -6.266 -12.084
  258   2HB   GLU  30          1HB       GLU  30 -16.638  -7.374 -11.922
  259   1HG   GLU  30          2HG       GLU  30 -15.210  -7.035 -14.558
  260   2HG   GLU  30          1HG       GLU  30 -14.622  -8.163 -13.336
  261    H    HIS  31           H        HIS  31 -17.551  -4.151 -11.279
  262    HA   HIS  31           HA       HIS  31 -20.322  -5.249 -10.926
  263   1HB   HIS  31          2HB       HIS  31 -18.515  -4.000  -8.828
  264   2HB   HIS  31          1HB       HIS  31 -20.023  -4.862  -8.549
  265    HD1  HIS  31           1HD      HIS  31 -16.397  -5.388  -9.233
  266    HD2  HIS  31           2HD      HIS  31 -19.824  -7.727  -8.830
  267    HE1  HIS  31           1HE      HIS  31 -15.606  -7.780  -9.005
  268    HA   PRO  32           HA       PRO  32 -20.822  -0.831 -11.976
  269   1HB   PRO  32          2HB       PRO  32 -23.290  -1.098 -13.124
  270   2HB   PRO  32          1HB       PRO  32 -21.777  -1.391 -13.996
  271   1HG   PRO  32          2HG       PRO  32 -23.705  -3.330 -12.863
  272   2HG   PRO  32          1HG       PRO  32 -22.704  -3.446 -14.317
  273   1HD   PRO  32          2HD       PRO  32 -22.150  -4.691 -11.921
  274   2HD   PRO  32          1HD       PRO  32 -20.954  -4.343 -13.188
  275    H    GLY  33           H        GLY  33 -23.023  -3.076 -10.398
  276   1HA   GLY  33          2HA       GLY  33 -24.626  -0.950  -9.174
  277   2HA   GLY  33          1HA       GLY  33 -24.783  -2.678  -8.873
  278    H    LEU  34           H        LEU  34 -21.671  -2.566  -8.434
  279    HA   LEU  34           HA       LEU  34 -21.658  -2.646  -5.600
  280   1HB   LEU  34          2HB       LEU  34 -19.830  -2.837  -7.824
  281   2HB   LEU  34          1HB       LEU  34 -19.083  -1.871  -6.560
  282    HG   LEU  34           HG       LEU  34 -18.613  -4.318  -6.341
  283   1HD1  LEU  34          1HD1      LEU  34 -20.007  -2.709  -4.243
  284   2HD1  LEU  34          2HD1      LEU  34 -18.336  -3.270  -4.306
  285   3HD1  LEU  34          3HD1      LEU  34 -19.627  -4.395  -3.890
  286   1HD2  LEU  34          1HD2      LEU  34 -21.298  -4.894  -5.255
  287   2HD2  LEU  34          2HD2      LEU  34 -20.251  -5.896  -6.260
  288   3HD2  LEU  34          3HD2      LEU  34 -21.260  -4.655  -7.002
  289    H    SER  35           H        SER  35 -22.863  -0.639  -5.016
  290    HA   SER  35           HA       SER  35 -21.804   2.004  -5.541
  291   1HB   SER  35          2HB       SER  35 -23.651   0.895  -3.402
  292   2HB   SER  35          1HB       SER  35 -23.417   2.611  -3.720
  293    HG   SER  35           HG       SER  35 -24.539   0.618  -5.385
  294    H    ILE  36           H        ILE  36 -21.325   3.387  -3.367
  295    HA   ILE  36           HA       ILE  36 -18.765   2.638  -2.398
  296    HB   ILE  36           HB       ILE  36 -20.907   4.433  -1.207
  297   1HG1  ILE  36          2HG1      ILE  36 -20.245   5.043  -3.507
  298   2HG1  ILE  36          1HG1      ILE  36 -19.657   6.235  -2.354
  299   1HG2  ILE  36          1HG2      ILE  36 -18.836   5.583  -0.205
  300   2HG2  ILE  36          2HG2      ILE  36 -17.967   4.096  -0.586
  301   3HG2  ILE  36          3HG2      ILE  36 -19.329   4.058   0.533
  302   1HD1  ILE  36          1HD1      ILE  36 -18.064   4.027  -3.684
  303   2HD1  ILE  36          2HD1      ILE  36 -17.449   4.986  -2.338
  304   3HD1  ILE  36          3HD1      ILE  36 -17.844   5.767  -3.869
  305    H    GLY  37           H        GLY  37 -21.996   2.062  -1.019
  306   1HA   GLY  37          2HA       GLY  37 -21.214   1.056   1.519
  307   2HA   GLY  37          1HA       GLY  37 -22.692   0.590   0.675
  308    H    ASP  38           H        ASP  38 -22.048  -0.849  -1.399
  309    HA   ASP  38           HA       ASP  38 -20.996  -3.338  -0.368
  310   1HB   ASP  38          2HB       ASP  38 -21.619  -2.297  -3.150
  311   2HB   ASP  38          1HB       ASP  38 -21.232  -3.980  -2.798
  312    H    THR  39           H        THR  39 -19.645  -0.805  -2.491
  313    HA   THR  39           HA       THR  39 -17.198  -2.125  -3.169
  314    HB   THR  39           HB       THR  39 -17.830   0.813  -2.779
  315    HG1  THR  39           1HG      THR  39 -17.993  -0.940  -4.997
  316   1HG2  THR  39          1HG2      THR  39 -15.560  -0.642  -4.144
  317   2HG2  THR  39          2HG2      THR  39 -15.459   0.623  -2.920
  318   3HG2  THR  39          3HG2      THR  39 -15.987   1.019  -4.556
  319    H    ALA  40           H        ALA  40 -18.218  -0.477  -0.247
  320    HA   ALA  40           HA       ALA  40 -15.503  -0.280   0.862
  321   1HB   ALA  40          1HB       ALA  40 -18.276   0.108   2.038
  322   2HB   ALA  40          2HB       ALA  40 -17.269   1.372   1.331
  323   3HB   ALA  40          3HB       ALA  40 -16.769   0.577   2.823
  324    H    LYS  41           H        LYS  41 -18.452  -2.174   1.618
  325    HA   LYS  41           HA       LYS  41 -17.027  -3.830   3.554
  326   1HB   LYS  41          2HB       LYS  41 -19.210  -4.896   3.819
  327   2HB   LYS  41          1HB       LYS  41 -19.396  -3.146   3.779
  328   1HG   LYS  41          2HG       LYS  41 -19.861  -3.409   1.272
  329   2HG   LYS  41          1HG       LYS  41 -20.003  -5.134   1.585
  330   1HD   LYS  41          2HD       LYS  41 -22.222  -4.205   1.714
  331   2HD   LYS  41          1HD       LYS  41 -21.715  -4.587   3.358
  332   1HE   LYS  41          2HE       LYS  41 -20.801  -1.978   3.025
  333   2HE   LYS  41          1HE       LYS  41 -22.364  -1.979   2.184
  334   1HZ   LYS  41          1HZ       LYS  41 -21.861  -3.026   4.921
  335   2HZ   LYS  41          2HZ       LYS  41 -23.351  -3.077   4.106
  336   3HZ   LYS  41          3HZ       LYS  41 -22.672  -1.584   4.549
  337    H    LYS  42           H        LYS  42 -17.373  -3.991   0.120
  338    HA   LYS  42           HA       LYS  42 -17.235  -6.931  -0.037
  339   1HB   LYS  42          2HB       LYS  42 -18.386  -5.376  -1.662
  340   2HB   LYS  42          1HB       LYS  42 -16.795  -4.813  -2.171
  341   1HG   LYS  42          2HG       LYS  42 -17.416  -6.500  -3.725
  342   2HG   LYS  42          1HG       LYS  42 -16.271  -7.284  -2.632
  343   1HD   LYS  42          2HD       LYS  42 -19.067  -7.397  -1.701
  344   2HD   LYS  42          1HD       LYS  42 -18.794  -8.238  -3.223
  345   1HE   LYS  42          2HE       LYS  42 -16.628  -8.812  -1.384
  346   2HE   LYS  42          1HE       LYS  42 -18.187  -9.193  -0.639
  347   1HZ   LYS  42          1HZ       LYS  42 -17.253 -10.070  -3.318
  348   2HZ   LYS  42          2HZ       LYS  42 -18.820 -10.329  -2.714
  349   3HZ   LYS  42          3HZ       LYS  42 -17.485 -11.060  -1.961
  350    H    LEU  43           H        LEU  43 -15.077  -4.309  -1.201
  351    HA   LEU  43           HA       LEU  43 -12.776  -5.826  -1.720
  352   1HB   LEU  43          2HB       LEU  43 -13.234  -3.010  -0.729
  353   2HB   LEU  43          1HB       LEU  43 -11.623  -3.592  -1.151
  354    HG   LEU  43           HG       LEU  43 -14.008  -3.722  -3.015
  355   1HD1  LEU  43          1HD1      LEU  43 -11.730  -1.887  -3.542
  356   2HD1  LEU  43          2HD1      LEU  43 -12.835  -1.405  -2.255
  357   3HD1  LEU  43          3HD1      LEU  43 -13.447  -1.679  -3.885
  358   1HD2  LEU  43          1HD2      LEU  43 -11.958  -3.929  -4.644
  359   2HD2  LEU  43          2HD2      LEU  43 -12.483  -5.348  -3.736
  360   3HD2  LEU  43          3HD2      LEU  43 -11.087  -4.419  -3.192
  361    H    GLY  44           H        GLY  44 -14.089  -4.878   1.390
  362   1HA   GLY  44          2HA       GLY  44 -11.679  -5.220   2.938
  363   2HA   GLY  44          1HA       GLY  44 -13.321  -5.223   3.583
  364    H    GLU  45           H        GLU  45 -14.347  -7.391   2.043
  365    HA   GLU  45           HA       GLU  45 -13.702  -9.638   3.643
  366   1HB   GLU  45          2HB       GLU  45 -15.717  -9.237   2.170
  367   2HB   GLU  45          1HB       GLU  45 -14.706  -9.640   0.782
  368   1HG   GLU  45          2HG       GLU  45 -14.188 -11.841   1.898
  369   2HG   GLU  45          1HG       GLU  45 -15.394 -11.439   3.120
  370    H    MET  46           H        MET  46 -12.278  -8.536   0.589
  371    HA   MET  46           HA       MET  46 -10.688 -10.941   0.149
  372   1HB   MET  46          2HB       MET  46 -10.643  -8.107  -0.929
  373   2HB   MET  46          1HB       MET  46  -9.592  -9.387  -1.537
  374   1HG   MET  46          2HG       MET  46 -11.503 -10.720  -2.206
  375   2HG   MET  46          1HG       MET  46 -12.615  -9.581  -1.447
  376   1HE   MET  46          1HE       MET  46 -12.874 -10.494  -4.594
  377   2HE   MET  46          2HE       MET  46 -11.166 -10.867  -4.374
  378   3HE   MET  46          3HE       MET  46 -11.660  -9.753  -5.647
  379    H    TRP  47           H        TRP  47  -9.887  -7.613   1.212
  380    HA   TRP  47           HA       TRP  47  -7.154  -7.822   1.685
  381   1HB   TRP  47          2HB       TRP  47  -8.656  -5.829   1.959
  382   2HB   TRP  47          1HB       TRP  47  -9.177  -6.492   3.510
  383    HD1  TRP  47           HD       TRP  47  -7.855  -5.644   5.497
  384    HE1  TRP  47           1HE      TRP  47  -5.487  -4.699   5.883
  385    HE3  TRP  47           3HE      TRP  47  -5.967  -6.038   0.768
  386    HZ2  TRP  47           2HZ      TRP  47  -3.107  -4.179   4.383
  387    HZ3  TRP  47           3HZ      TRP  47  -3.650  -5.312   0.275
  388    HH2  TRP  47           HH       TRP  47  -2.219  -4.384   2.075
  389    H    SER  48           H        SER  48  -9.753  -8.972   3.864
  390    HA   SER  48           HA       SER  48  -7.853  -9.834   5.924
  391   1HB   SER  48          2HB       SER  48 -10.215  -8.995   6.270
  392   2HB   SER  48          1HB       SER  48 -10.790 -10.492   5.541
  393    HG   SER  48           HG       SER  48  -9.772 -10.012   8.037
  394    H    GLU  49           H        GLU  49  -9.484 -11.264   3.157
  395    HA   GLU  49           HA       GLU  49  -9.239 -14.036   3.846
  396   1HB   GLU  49          2HB       GLU  49  -9.635 -12.361   1.414
  397   2HB   GLU  49          1HB       GLU  49  -9.120 -14.026   1.148
  398   1HG   GLU  49          2HG       GLU  49 -10.998 -14.821   2.554
  399   2HG   GLU  49          1HG       GLU  49 -11.526 -13.153   2.775
  400    H    GLN  50           H        GLN  50  -7.036 -11.822   2.117
  401    HA   GLN  50           HA       GLN  50  -5.027 -13.786   1.477
  402   1HB   GLN  50          2HB       GLN  50  -3.631 -11.746   1.119
  403   2HB   GLN  50          1HB       GLN  50  -5.223 -11.598   0.376
  404   1HG   GLN  50          2HG       GLN  50  -5.784  -9.849   1.695
  405   2HG   GLN  50          1HG       GLN  50  -5.225 -10.671   3.151
  406   1HE2  GLN  50          1HE2      GLN  50  -2.636 -10.818   3.192
  407   2HE2  GLN  50          2HE2      GLN  50  -1.837  -9.377   2.788
  408    H    SER  51           H        SER  51  -2.755 -13.660   2.479
  409    HA   SER  51           HA       SER  51  -2.655 -12.868   5.325
  410   1HB   SER  51          2HB       SER  51  -2.409 -15.743   4.384
  411   2HB   SER  51          1HB       SER  51  -2.170 -15.188   6.039
  412    HG   SER  51           HG       SER  51  -4.407 -15.934   4.971
  413    H    ALA  52           H        ALA  52  -0.761 -11.699   5.136
  414    HA   ALA  52           HA       ALA  52   1.514 -11.215   4.716
  415   1HB   ALA  52          1HB       ALA  52   2.954 -12.969   5.431
  416   2HB   ALA  52          2HB       ALA  52   1.845 -14.216   4.862
  417   3HB   ALA  52          3HB       ALA  52   1.440 -13.259   6.287
  418    H    LYS  53           H        LYS  53  -0.062 -11.476   2.338
  419    HA   LYS  53           HA       LYS  53   2.032 -12.466   0.446
  420   1HB   LYS  53          2HB       LYS  53  -0.865 -13.227   0.707
  421   2HB   LYS  53          1HB       LYS  53  -0.104 -13.264  -0.884
  422   1HG   LYS  53          2HG       LYS  53   1.415 -14.933  -0.263
  423   2HG   LYS  53          1HG       LYS  53   1.255 -14.575   1.456
  424   1HD   LYS  53          2HD       LYS  53  -0.715 -15.767   1.666
  425   2HD   LYS  53          1HD       LYS  53  -1.179 -15.496  -0.014
  426   1HE   LYS  53          2HE       LYS  53   1.283 -17.125   0.487
  427   2HE   LYS  53          1HE       LYS  53  -0.295 -17.886   0.780
  428   1HZ   LYS  53          1HZ       LYS  53   0.529 -16.463  -1.697
  429   2HZ   LYS  53          2HZ       LYS  53  -1.017 -17.106  -1.408
  430   3HZ   LYS  53          3HZ       LYS  53   0.327 -18.139  -1.535
  431    H    ASP  54           H        ASP  54  -1.271 -11.229  -0.079
  432    HA   ASP  54           HA       ASP  54  -0.533  -9.432  -2.172
  433   1HB   ASP  54          2HB       ASP  54  -2.803 -10.417  -1.569
  434   2HB   ASP  54          1HB       ASP  54  -2.902  -9.198  -0.298
  435    H    LYS  55           H        LYS  55  -0.531  -9.035   1.321
  436    HA   LYS  55           HA       LYS  55  -0.364  -6.107   1.222
  437   1HB   LYS  55          2HB       LYS  55  -1.437  -7.386   3.058
  438   2HB   LYS  55          1HB       LYS  55   0.121  -8.114   3.449
  439   1HG   LYS  55          2HG       LYS  55   1.030  -6.057   4.177
  440   2HG   LYS  55          1HG       LYS  55  -0.225  -5.118   3.369
  441   1HD   LYS  55          2HD       LYS  55  -1.127  -5.034   5.469
  442   2HD   LYS  55          1HD       LYS  55  -1.763  -6.617   5.025
  443   1HE   LYS  55          2HE       LYS  55   0.998  -6.543   6.169
  444   2HE   LYS  55          1HE       LYS  55  -0.359  -6.277   7.282
  445   1HZ   LYS  55          1HZ       LYS  55  -0.015  -8.620   7.104
  446   2HZ   LYS  55          2HZ       LYS  55   0.000  -8.553   5.406
  447   3HZ   LYS  55          3HZ       LYS  55  -1.438  -8.249   6.259
  448    H    GLN  56           H        GLN  56   1.882  -8.831   1.558
  449    HA   GLN  56           HA       GLN  56   4.223  -7.704   2.504
  450   1HB   GLN  56          2HB       GLN  56   3.452  -9.817   0.598
  451   2HB   GLN  56          1HB       GLN  56   5.113  -9.252   0.412
  452   1HG   GLN  56          2HG       GLN  56   4.055  -9.869   3.157
  453   2HG   GLN  56          1HG       GLN  56   4.590 -11.186   2.114
  454   1HE2  GLN  56          1HE2      GLN  56   5.703  -9.032   4.440
  455   2HE2  GLN  56          2HE2      GLN  56   7.355  -9.051   4.048
  456    HA   PRO  57           HA       PRO  57   5.410  -5.805  -1.683
  457   1HB   PRO  57          2HB       PRO  57   3.668  -5.867  -3.771
  458   2HB   PRO  57          1HB       PRO  57   4.806  -7.187  -3.434
  459   1HG   PRO  57          2HG       PRO  57   1.906  -7.008  -2.898
  460   2HG   PRO  57          1HG       PRO  57   2.884  -8.412  -3.335
  461   1HD   PRO  57          2HD       PRO  57   1.984  -7.811  -0.782
  462   2HD   PRO  57          1HD       PRO  57   3.332  -8.903  -1.168
  463    H    TYR  58           H        TYR  58   1.906  -5.550  -1.108
  464    HA   TYR  58           HA       TYR  58   1.817  -2.718  -1.869
  465   1HB   TYR  58          2HB       TYR  58   0.047  -4.926  -1.554
  466   2HB   TYR  58          1HB       TYR  58  -0.512  -3.670  -0.454
  467    HD1  TYR  58           1HD      TYR  58  -1.319  -1.528  -1.284
  468    HD2  TYR  58           2HD      TYR  58   0.160  -4.529  -3.979
  469    HE1  TYR  58           1HE      TYR  58  -2.283  -0.283  -3.201
  470    HE2  TYR  58           2HE      TYR  58  -0.805  -3.285  -5.894
  471    HH   TYR  58           HH       TYR  58  -2.616  -1.638  -6.290
  472    H    GLU  59           H        GLU  59   3.152  -4.022   0.824
  473    HA   GLU  59           HA       GLU  59   1.900  -2.069   2.710
  474   1HB   GLU  59          2HB       GLU  59   2.946  -3.466   4.444
  475   2HB   GLU  59          1HB       GLU  59   2.007  -4.466   3.347
  476   1HG   GLU  59          2HG       GLU  59   3.855  -5.720   3.021
  477   2HG   GLU  59          1HG       GLU  59   4.570  -4.340   2.191
  478    H    GLN  60           H        GLN  60   4.854  -2.796   0.983
  479    HA   GLN  60           HA       GLN  60   6.607  -1.110   2.581
  480   1HB   GLN  60          2HB       GLN  60   8.178  -1.564   0.749
  481   2HB   GLN  60          1HB       GLN  60   7.318  -3.042   1.167
  482   1HG   GLN  60          2HG       GLN  60   5.650  -2.250  -0.724
  483   2HG   GLN  60          1HG       GLN  60   7.037  -1.311  -1.269
  484   1HE2  GLN  60          1HE2      GLN  60   5.894  -3.601  -2.710
  485   2HE2  GLN  60          2HE2      GLN  60   7.104  -4.790  -2.779
  486    H    LYS  61           H        LYS  61   4.425  -0.603  -0.116
  487    HA   LYS  61           HA       LYS  61   5.421   1.811  -1.221
  488   1HB   LYS  61          2HB       LYS  61   3.593   0.421  -2.136
  489   2HB   LYS  61          1HB       LYS  61   2.566   0.873  -0.776
  490   1HG   LYS  61          2HG       LYS  61   2.380   3.106  -1.498
  491   2HG   LYS  61          1HG       LYS  61   3.799   2.983  -2.539
  492   1HD   LYS  61          2HD       LYS  61   2.538   1.339  -3.958
  493   2HD   LYS  61          1HD       LYS  61   1.108   1.659  -2.975
  494   1HE   LYS  61          2HE       LYS  61   1.655   4.189  -3.554
  495   2HE   LYS  61          1HE       LYS  61   2.489   3.457  -4.940
  496   1HZ   LYS  61          1HZ       LYS  61   0.523   2.234  -5.497
  497   2HZ   LYS  61          2HZ       LYS  61   0.098   3.873  -5.358
  498   3HZ   LYS  61          3HZ       LYS  61  -0.283   2.785  -4.110
  499    H    ALA  62           H        ALA  62   3.226   1.328   1.564
  500    HA   ALA  62           HA       ALA  62   2.902   4.167   2.088
  501   1HB   ALA  62          1HB       ALA  62   2.227   1.554   3.371
  502   2HB   ALA  62          2HB       ALA  62   1.165   2.889   2.923
  503   3HB   ALA  62          3HB       ALA  62   2.159   3.002   4.376
  504    H    ALA  63           H        ALA  63   5.489   1.988   2.674
  505    HA   ALA  63           HA       ALA  63   6.455   3.265   5.138
  506   1HB   ALA  63          1HB       ALA  63   8.241   1.651   4.907
  507   2HB   ALA  63          2HB       ALA  63   7.859   1.397   3.205
  508   3HB   ALA  63          3HB       ALA  63   6.743   0.841   4.452
  509    H    LYS  64           H        LYS  64   6.436   4.196   1.889
  510    HA   LYS  64           HA       LYS  64   9.106   5.502   1.958
  511   1HB   LYS  64          2HB       LYS  64   6.944   4.979  -0.089
  512   2HB   LYS  64          1HB       LYS  64   8.281   6.075  -0.431
  513   1HG   LYS  64          2HG       LYS  64   8.619   3.204   0.478
  514   2HG   LYS  64          1HG       LYS  64   8.710   3.729  -1.204
  515   1HD   LYS  64          2HD       LYS  64  10.508   5.389  -0.417
  516   2HD   LYS  64          1HD       LYS  64  10.558   4.449   1.075
  517   1HE   LYS  64          2HE       LYS  64  11.057   2.399  -0.241
  518   2HE   LYS  64          1HE       LYS  64  11.060   3.373  -1.725
  519   1HZ   LYS  64          1HZ       LYS  64  12.750   3.925   0.657
  520   2HZ   LYS  64          2HZ       LYS  64  12.790   4.752  -0.827
  521   3HZ   LYS  64          3HZ       LYS  64  13.297   3.133  -0.739
  522    H    LEU  65           H        LEU  65   5.650   6.195   1.955
  523    HA   LEU  65           HA       LEU  65   6.015   9.108   1.773
  524   1HB   LEU  65          2HB       LEU  65   3.773   7.128   1.997
  525   2HB   LEU  65          1HB       LEU  65   3.447   8.827   2.348
  526    HG   LEU  65           HG       LEU  65   4.703   9.276   0.106
  527   1HD1  LEU  65          1HD1      LEU  65   5.567   7.126  -0.408
  528   2HD1  LEU  65          2HD1      LEU  65   4.187   7.313  -1.491
  529   3HD1  LEU  65          3HD1      LEU  65   4.038   6.330  -0.032
  530   1HD2  LEU  65          1HD2      LEU  65   2.344   9.756   0.374
  531   2HD2  LEU  65          2HD2      LEU  65   1.937   8.042   0.288
  532   3HD2  LEU  65          3HD2      LEU  65   2.541   8.878  -1.143
  533    H    LYS  66           H        LYS  66   6.652   7.026   4.251
  534    HA   LYS  66           HA       LYS  66   5.408   8.674   6.394
  535   1HB   LYS  66          2HB       LYS  66   5.243   6.187   6.409
  536   2HB   LYS  66          1HB       LYS  66   7.003   6.088   6.447
  537   1HG   LYS  66          2HG       LYS  66   7.116   6.640   8.654
  538   2HG   LYS  66          1HG       LYS  66   5.826   7.835   8.521
  539   1HD   LYS  66          2HD       LYS  66   4.135   6.081   8.545
  540   2HD   LYS  66          1HD       LYS  66   5.384   4.835   8.535
  541   1HE   LYS  66          2HE       LYS  66   6.224   5.686  10.725
  542   2HE   LYS  66          1HE       LYS  66   4.891   6.859  10.748
  543   1HZ   LYS  66          1HZ       LYS  66   4.305   4.791  11.906
  544   2HZ   LYS  66          2HZ       LYS  66   4.574   3.915  10.475
  545   3HZ   LYS  66          3HZ       LYS  66   3.317   5.056  10.553
  546    H    GLU  67           H        GLU  67   8.509   7.740   4.997
  547    HA   GLU  67           HA       GLU  67  10.242   8.808   7.009
  548   1HB   GLU  67          2HB       GLU  67  10.367   8.021   4.137
  549   2HB   GLU  67          1HB       GLU  67  11.677   9.040   4.733
  550   1HG   GLU  67          2HG       GLU  67  12.265   7.457   6.425
  551   2HG   GLU  67          1HG       GLU  67  10.788   6.529   6.165
  552    H    LYS  68           H        LYS  68   8.949  10.282   3.998
  553    HA   LYS  68           HA       LYS  68  10.201  12.856   4.465
  554   1HB   LYS  68          2HB       LYS  68   9.222  11.693   2.317
  555   2HB   LYS  68          1HB       LYS  68   7.705  12.424   2.835
  556   1HG   LYS  68          2HG       LYS  68   8.605  14.089   1.460
  557   2HG   LYS  68          1HG       LYS  68   9.128  14.607   3.062
  558   1HD   LYS  68          2HD       LYS  68  11.327  13.763   2.735
  559   2HD   LYS  68          1HD       LYS  68  10.839  12.826   1.323
  560   1HE   LYS  68          2HE       LYS  68  10.213  15.114   0.265
  561   2HE   LYS  68          1HE       LYS  68  11.219  15.813   1.549
  562   1HZ   LYS  68          1HZ       LYS  68  12.056  13.670  -0.334
  563   2HZ   LYS  68          2HZ       LYS  68  13.010  14.315   0.915
  564   3HZ   LYS  68          3HZ       LYS  68  12.557  15.289  -0.401
  565    H    TYR  69           H        TYR  69   6.734  11.994   4.487
  566    HA   TYR  69           HA       TYR  69   5.461  14.127   5.564
  567   1HB   TYR  69          2HB       TYR  69   4.513  11.896   5.025
  568   2HB   TYR  69          1HB       TYR  69   5.170  11.269   6.535
  569    HD1  TYR  69           1HD      TYR  69   2.423  12.994   4.982
  570    HD2  TYR  69           2HD      TYR  69   4.427  12.383   8.732
  571    HE1  TYR  69           1HE      TYR  69   0.408  13.789   6.189
  572    HE2  TYR  69           2HE      TYR  69   2.413  13.179   9.939
  573    HH   TYR  69           HH       TYR  69  -0.381  13.214   9.025
  574    H    GLU  70           H        GLU  70   7.127  11.744   7.676
  575    HA   GLU  70           HA       GLU  70   6.583  13.134  10.136
  576   1HB   GLU  70          2HB       GLU  70   8.562  11.055   9.203
  577   2HB   GLU  70          1HB       GLU  70   8.577  11.643  10.866
  578   1HG   GLU  70          2HG       GLU  70   6.095  11.087  10.959
  579   2HG   GLU  70          1HG       GLU  70   6.312  10.249   9.421
  580    H    LYS  71           H        LYS  71   9.237  13.399   7.799
  581    HA   LYS  71           HA       LYS  71  10.734  15.234   9.592
  582   1HB   LYS  71          2HB       LYS  71  11.538  13.261   8.000
  583   2HB   LYS  71          1HB       LYS  71  11.546  14.549   6.795
  584   1HG   LYS  71          2HG       LYS  71  12.887  15.919   8.506
  585   2HG   LYS  71          1HG       LYS  71  13.116  14.398   9.372
  586   1HD   LYS  71          2HD       LYS  71  13.829  14.818   6.455
  587   2HD   LYS  71          1HD       LYS  71  14.985  14.920   7.784
  588   1HE   LYS  71          2HE       LYS  71  14.676  12.603   8.352
  589   2HE   LYS  71          1HE       LYS  71  13.276  12.465   7.268
  590   1HZ   LYS  71          1HZ       LYS  71  15.372  11.661   6.253
  591   2HZ   LYS  71          2HZ       LYS  71  16.009  13.231   6.386
  592   3HZ   LYS  71          3HZ       LYS  71  14.663  12.938   5.391
  593    H    ASP  72           H        ASP  72   8.678  15.374   6.752
  594    HA   ASP  72           HA       ASP  72   9.535  18.123   6.071
  595   1HB   ASP  72          2HB       ASP  72   8.995  16.225   4.450
  596   2HB   ASP  72          1HB       ASP  72   7.303  16.452   4.897
  597    H    ILE  73           H        ILE  73   6.907  16.515   7.773
  598    HA   ILE  73           HA       ILE  73   5.081  18.784   7.631
  599    HB   ILE  73           HB       ILE  73   4.575  16.282   7.903
  600   1HG1  ILE  73          2HG1      ILE  73   2.703  16.862   9.639
  601   2HG1  ILE  73          1HG1      ILE  73   3.347  18.500   9.514
  602   1HG2  ILE  73          1HG2      ILE  73   4.643  15.293  10.062
  603   2HG2  ILE  73          2HG2      ILE  73   4.974  16.837  10.847
  604   3HG2  ILE  73          3HG2      ILE  73   6.219  16.061   9.868
  605   1HD1  ILE  73          1HD1      ILE  73   2.521  16.824   7.126
  606   2HD1  ILE  73          2HD1      ILE  73   2.982  18.527   7.118
  607   3HD1  ILE  73          3HD1      ILE  73   1.480  18.023   7.893
  608    H    ALA  74           H        ALA  74   7.772  17.939   9.667
  609    HA   ALA  74           HA       ALA  74   7.040  19.360  12.059
  610   1HB   ALA  74          1HB       ALA  74   8.851  17.710  11.931
  611   2HB   ALA  74          2HB       ALA  74   9.511  19.262  12.449
  612   3HB   ALA  74          3HB       ALA  74   9.723  18.725  10.783
  613    H    ALA  75           H        ALA  75   8.553  20.346   9.018
  614    HA   ALA  75           HA       ALA  75   8.817  23.149  10.009
  615   1HB   ALA  75          1HB       ALA  75   9.871  21.644   7.596
  616   2HB   ALA  75          2HB       ALA  75  10.790  22.130   9.021
  617   3HB   ALA  75          3HB       ALA  75  10.185  23.352   7.902
  618    H    TYR  76           H        TYR  76   6.780  21.162   8.046
  619    HA   TYR  76           HA       TYR  76   5.911  23.042   6.067
  620   1HB   TYR  76          2HB       TYR  76   5.532  20.554   6.136
  621   2HB   TYR  76          1HB       TYR  76   4.351  20.816   7.420
  622    HD1  TYR  76           1HD      TYR  76   2.134  21.501   6.922
  623    HD2  TYR  76           2HD      TYR  76   5.169  21.692   3.888
  624    HE1  TYR  76           1HE      TYR  76   0.403  22.013   5.222
  625    HE2  TYR  76           2HE      TYR  76   3.439  22.203   2.188
  626    HH   TYR  76           HH       TYR  76   0.661  21.620   2.163
  627    H    ARG  77           H        ARG  77   4.890  22.455   9.417
  628    HA   ARG  77           HA       ARG  77   2.840  24.616   9.187
  629   1HB   ARG  77          2HB       ARG  77   3.423  22.423  11.196
  630   2HB   ARG  77          1HB       ARG  77   2.164  23.636  11.429
  631   1HG   ARG  77          2HG       ARG  77   1.047  22.930   9.377
  632   2HG   ARG  77          1HG       ARG  77   2.342  21.783   9.037
  633   1HD   ARG  77          2HD       ARG  77   1.698  20.338  10.771
  634   2HD   ARG  77          1HD       ARG  77   0.838  21.620  11.646
  635    HE   ARG  77           HE       ARG  77  -0.590  21.571   9.358
  636   1HH1  ARG  77          1HH1      ARG  77  -1.393  20.044  11.908
  637   2HH1  ARG  77          2HH1      ARG  77  -1.752  18.485  11.245
  638   1HH2  ARG  77          1HH2      ARG  77  -0.167  19.110   8.225
  639   2HH2  ARG  77          2HH2      ARG  77  -1.058  17.956   9.161
  640    H    ALA  78           H        ALA  78   5.976  24.796   9.601
  641    HA   ALA  78           HA       ALA  78   7.459  26.156  10.836
  642   1HB   ALA  78          1HB       ALA  78   6.575  28.325  11.236
  643   2HB   ALA  78          2HB       ALA  78   4.959  27.695  11.557
  644   3HB   ALA  78          3HB       ALA  78   5.597  27.691   9.913
  645    H    LYS  79           H        LYS  79   7.693  24.338  12.437
  646    HA   LYS  79           HA       LYS  79   6.199  24.677  14.986
  647   1HB   LYS  79          2HB       LYS  79   6.902  22.501  13.560
  648   2HB   LYS  79          1HB       LYS  79   8.323  22.626  14.596
  649   1HG   LYS  79          2HG       LYS  79   7.019  21.419  16.038
  650   2HG   LYS  79          1HG       LYS  79   6.383  23.012  16.442
  651   1HD   LYS  79          2HD       LYS  79   5.176  21.506  14.146
  652   2HD   LYS  79          1HD       LYS  79   4.731  21.059  15.794
  653   1HE   LYS  79          2HE       LYS  79   4.354  23.640  16.117
  654   2HE   LYS  79          1HE       LYS  79   4.237  23.651  14.346
  655   1HZ   LYS  79          1HZ       LYS  79   2.074  23.199  15.250
  656   2HZ   LYS  79          2HZ       LYS  79   2.685  21.942  16.218
  657   3HZ   LYS  79          3HZ       LYS  79   2.659  21.780  14.527
  Start of MODEL   11
    1   1H    MET   1          1HT       MET   1 -11.538  22.107   0.217
    2   2H    MET   1          2HT       MET   1 -12.210  23.347  -0.728
    3   3H    MET   1          3HT       MET   1 -10.526  23.139  -0.670
    4    HA   MET   1           HA       MET   1 -12.446  21.174  -1.817
    5   1HB   MET   1          2HB       MET   1 -11.973  23.556  -2.847
    6   2HB   MET   1          1HB       MET   1 -10.433  22.831  -3.314
    7   1HG   MET   1          2HG       MET   1 -11.634  21.002  -4.453
    8   2HG   MET   1          1HG       MET   1 -13.175  21.723  -3.988
    9   1HE   MET   1          1HE       MET   1 -12.802  24.959  -4.513
   10   2HE   MET   1          2HE       MET   1 -14.062  23.728  -4.554
   11   3HE   MET   1          3HE       MET   1 -13.745  24.703  -5.987
   12    H    LYS   2           H        LYS   2 -10.599  20.333   0.104
   13    HA   LYS   2           HA       LYS   2  -8.773  18.871   0.433
   14   1HB   LYS   2          2HB       LYS   2  -9.915  18.338  -2.276
   15   2HB   LYS   2          1HB       LYS   2  -8.396  17.541  -1.864
   16   1HG   LYS   2          2HG       LYS   2 -10.130  16.047  -1.169
   17   2HG   LYS   2          1HG       LYS   2  -9.522  16.805   0.303
   18   1HD   LYS   2          2HD       LYS   2 -11.399  18.208   0.506
   19   2HD   LYS   2          1HD       LYS   2 -11.850  18.004  -1.187
   20   1HE   LYS   2          2HE       LYS   2 -11.945  15.408  -0.243
   21   2HE   LYS   2          1HE       LYS   2 -12.533  16.351   1.141
   22   1HZ   LYS   2          1HZ       LYS   2 -14.318  15.838  -0.451
   23   2HZ   LYS   2          2HZ       LYS   2 -13.472  16.681  -1.659
   24   3HZ   LYS   2          3HZ       LYS   2 -14.060  17.507  -0.297
   25    H    LYS   3           H        LYS   3  -6.573  18.162  -0.822
   26    HA   LYS   3           HA       LYS   3  -4.432  18.918  -1.475
   27   1HB   LYS   3          2HB       LYS   3  -6.021  19.131  -3.535
   28   2HB   LYS   3          1HB       LYS   3  -5.912  20.867  -3.235
   29   1HG   LYS   3          2HG       LYS   3  -3.455  20.748  -3.380
   30   2HG   LYS   3          1HG       LYS   3  -3.553  19.010  -3.667
   31   1HD   LYS   3          2HD       LYS   3  -4.989  20.994  -5.434
   32   2HD   LYS   3          1HD       LYS   3  -3.320  20.513  -5.742
   33   1HE   LYS   3          2HE       LYS   3  -4.063  18.115  -5.777
   34   2HE   LYS   3          1HE       LYS   3  -5.740  18.679  -5.632
   35   1HZ   LYS   3          1HZ       LYS   3  -3.823  19.522  -7.742
   36   2HZ   LYS   3          2HZ       LYS   3  -5.437  20.032  -7.599
   37   3HZ   LYS   3          3HZ       LYS   3  -5.085  18.411  -7.962
   38    H    LYS   4           H        LYS   4  -4.351  19.947   0.769
   39    HA   LYS   4           HA       LYS   4  -4.941  22.691   1.247
   40   1HB   LYS   4          2HB       LYS   4  -3.020  20.671   2.410
   41   2HB   LYS   4          1HB       LYS   4  -3.124  22.310   3.055
   42   1HG   LYS   4          2HG       LYS   4  -5.353  22.030   3.752
   43   2HG   LYS   4          1HG       LYS   4  -5.612  20.654   2.680
   44   1HD   LYS   4          2HD       LYS   4  -5.376  19.642   4.790
   45   2HD   LYS   4          1HD       LYS   4  -3.762  19.493   4.095
   46   1HE   LYS   4          2HE       LYS   4  -4.263  22.013   5.583
   47   2HE   LYS   4          1HE       LYS   4  -4.204  20.536   6.566
   48   1HZ   LYS   4          1HZ       LYS   4  -2.181  21.404   4.568
   49   2HZ   LYS   4          2HZ       LYS   4  -2.153  19.918   5.391
   50   3HZ   LYS   4          3HZ       LYS   4  -1.977  21.372   6.251
   51    H    ASP   5           H        ASP   5  -1.579  21.509   1.150
   52    HA   ASP   5           HA       ASP   5  -0.808  24.036  -0.246
   53   1HB   ASP   5          2HB       ASP   5   0.279  22.281   1.844
   54   2HB   ASP   5          1HB       ASP   5   1.484  22.745   0.643
   55    HA   PRO   6           HA       PRO   6   0.360  21.792  -3.854
   56   1HB   PRO   6          2HB       PRO   6   2.452  23.274  -4.780
   57   2HB   PRO   6          1HB       PRO   6   0.767  23.824  -4.864
   58   1HG   PRO   6          2HG       PRO   6   2.931  24.612  -2.997
   59   2HG   PRO   6          1HG       PRO   6   1.604  25.575  -3.663
   60   1HD   PRO   6          2HD       PRO   6   1.668  24.522  -1.113
   61   2HD   PRO   6          1HD       PRO   6   0.195  25.010  -1.977
   62    H    ASN   7           H        ASN   7   2.687  22.196  -1.296
   63    HA   ASN   7           HA       ASN   7   4.235  19.873  -2.379
   64   1HB   ASN   7          2HB       ASN   7   6.295  21.051  -1.637
   65   2HB   ASN   7          1HB       ASN   7   5.416  21.973  -2.854
   66   1HD2  ASN   7          1HD2      ASN   7   4.742  24.077  -2.283
   67   2HD2  ASN   7          2HD2      ASN   7   4.872  24.725  -0.720
   68    H    ALA   8           H        ALA   8   2.179  20.494  -0.074
   69    HA   ALA   8           HA       ALA   8   3.829  19.536   2.226
   70   1HB   ALA   8          1HB       ALA   8   2.283  21.621   2.215
   71   2HB   ALA   8          2HB       ALA   8   2.156  20.514   3.582
   72   3HB   ALA   8          3HB       ALA   8   0.958  20.459   2.289
   73    HA   PRO   9           HA       PRO   9   1.872  15.574   1.387
   74   1HB   PRO   9          2HB       PRO   9   2.925  14.197   3.501
   75   2HB   PRO   9          1HB       PRO   9   3.851  14.553   2.031
   76   1HG   PRO   9          2HG       PRO   9   3.901  15.916   4.675
   77   2HG   PRO   9          1HG       PRO   9   5.236  15.536   3.576
   78   1HD   PRO   9          2HD       PRO   9   4.124  18.015   3.787
   79   2HD   PRO   9          1HD       PRO   9   4.890  17.409   2.302
   80    H    LYS  10           H        LYS  10  -0.286  15.415   1.908
   81    HA   LYS  10           HA       LYS  10  -1.062  15.628   4.765
   82   1HB   LYS  10          2HB       LYS  10  -3.095  16.802   3.967
   83   2HB   LYS  10          1HB       LYS  10  -1.625  17.654   3.502
   84   1HG   LYS  10          2HG       LYS  10  -2.185  15.782   1.426
   85   2HG   LYS  10          1HG       LYS  10  -3.700  16.600   1.804
   86   1HD   LYS  10          2HD       LYS  10  -2.828  18.724   1.293
   87   2HD   LYS  10          1HD       LYS  10  -1.157  18.179   1.451
   88   1HE   LYS  10          2HE       LYS  10  -1.606  16.656  -0.563
   89   2HE   LYS  10          1HE       LYS  10  -3.097  17.590  -0.801
   90   1HZ   LYS  10          1HZ       LYS  10  -0.351  18.713  -0.593
   91   2HZ   LYS  10          2HZ       LYS  10  -1.776  19.624  -0.758
   92   3HZ   LYS  10          3HZ       LYS  10  -1.269  18.599  -2.015
   93    H    ARG  11           H        ARG  11  -0.496  13.262   3.101
   94    HA   ARG  11           HA       ARG  11  -2.922  11.729   3.722
   95   1HB   ARG  11          2HB       ARG  11  -2.352  12.832   1.070
   96   2HB   ARG  11          1HB       ARG  11  -2.531  11.078   1.028
   97   1HG   ARG  11          2HG       ARG  11  -4.743  11.147   1.662
   98   2HG   ARG  11          1HG       ARG  11  -4.529  12.607   2.628
   99   1HD   ARG  11          2HD       ARG  11  -4.572  14.016   0.699
  100   2HD   ARG  11          1HD       ARG  11  -4.370  12.636  -0.399
  101    HE   ARG  11           HE       ARG  11  -6.675  12.157  -0.142
  102   1HH1  ARG  11          1HH2      ARG  11  -6.560  12.099   2.890
  103   2HH1  ARG  11          2HH2      ARG  11  -7.668  13.366   3.298
  104   1HH2  ARG  11          1HH1      ARG  11  -7.669  14.752   0.119
  105   2HH2  ARG  11          2HH1      ARG  11  -8.296  14.868   1.730
  106    HA   PRO  12           HA       PRO  12   0.978   9.313   3.781
  107   1HB   PRO  12          2HB       PRO  12   0.705   8.292   6.296
  108   2HB   PRO  12          1HB       PRO  12   1.434   9.875   5.970
  109   1HG   PRO  12          2HG       PRO  12  -1.217   9.215   7.069
  110   2HG   PRO  12          1HG       PRO  12  -0.216  10.652   7.300
  111   1HD   PRO  12          2HD       PRO  12  -2.454  10.421   5.613
  112   2HD   PRO  12          1HD       PRO  12  -1.289  11.761   5.659
  113    HA   PRO  13           HA       PRO  13  -1.742   5.819   2.874
  114   1HB   PRO  13          2HB       PRO  13  -0.013   4.476   1.241
  115   2HB   PRO  13          1HB       PRO  13  -0.975   5.862   0.694
  116   1HG   PRO  13          2HG       PRO  13   1.896   5.701   1.349
  117   2HG   PRO  13          1HG       PRO  13   1.051   6.763   0.217
  118   1HD   PRO  13          2HD       PRO  13   1.967   7.454   2.772
  119   2HD   PRO  13          1HD       PRO  13   0.840   8.393   1.774
  120    H    SER  14           H        SER  14  -1.356   3.326   3.051
  121    HA   SER  14           HA       SER  14   0.931   2.421   4.627
  122   1HB   SER  14          2HB       SER  14  -0.371   3.729   6.271
  123   2HB   SER  14          1HB       SER  14  -1.798   2.761   5.913
  124    HG   SER  14           HG       SER  14  -0.990   1.636   7.531
  125    H    ALA  15           H        ALA  15   0.261   1.224   2.339
  126    HA   ALA  15           HA       ALA  15  -0.245  -0.851   1.416
  127   1HB   ALA  15          1HB       ALA  15   0.216  -2.485   2.907
  128   2HB   ALA  15          2HB       ALA  15  -1.325  -2.219   3.719
  129   3HB   ALA  15          3HB       ALA  15   0.101  -1.302   4.207
  130    H    PHE  16           H        PHE  16  -2.731  -0.852   3.998
  131    HA   PHE  16           HA       PHE  16  -4.918  -1.590   2.418
  132   1HB   PHE  16          2HB       PHE  16  -4.608  -1.228   4.959
  133   2HB   PHE  16          1HB       PHE  16  -5.068   0.444   4.641
  134    HD1  PHE  16           1HD      PHE  16  -7.233   0.735   3.125
  135    HD2  PHE  16           2HD      PHE  16  -6.299  -2.772   5.424
  136    HE1  PHE  16           1HE      PHE  16  -9.623   0.078   3.093
  137    HE2  PHE  16           2HE      PHE  16  -8.691  -3.429   5.390
  138    HZ   PHE  16           HZ       PHE  16 -10.352  -2.004   4.226
  139    H    PHE  17           H        PHE  17  -3.796   1.727   3.131
  140    HA   PHE  17           HA       PHE  17  -5.829   3.140   1.710
  141   1HB   PHE  17          2HB       PHE  17  -3.861   3.846   3.335
  142   2HB   PHE  17          1HB       PHE  17  -2.976   4.077   1.826
  143    HD1  PHE  17           1HD      PHE  17  -3.347   5.985   0.475
  144    HD2  PHE  17           2HD      PHE  17  -6.108   5.023   3.621
  145    HE1  PHE  17           1HE      PHE  17  -4.490   8.159   0.136
  146    HE2  PHE  17           2HE      PHE  17  -7.252   7.198   3.283
  147    HZ   PHE  17           HZ       PHE  17  -6.442   8.766   1.540
  148    H    LEU  18           H        LEU  18  -2.880   1.525   0.614
  149    HA   LEU  18           HA       LEU  18  -2.934   2.701  -2.062
  150   1HB   LEU  18          2HB       LEU  18  -1.492   0.227  -1.052
  151   2HB   LEU  18          1HB       LEU  18  -1.042   1.229  -2.426
  152    HG   LEU  18           HG       LEU  18  -0.993   2.062   0.497
  153   1HD1  LEU  18          1HD1      LEU  18   1.503   2.375  -0.219
  154   2HD1  LEU  18          2HD1      LEU  18   1.087   1.266  -1.527
  155   3HD1  LEU  18          3HD1      LEU  18   0.917   0.753   0.153
  156   1HD2  LEU  18          1HD2      LEU  18  -1.469   4.078  -0.585
  157   2HD2  LEU  18          2HD2      LEU  18  -0.682   3.578  -2.082
  158   3HD2  LEU  18          3HD2      LEU  18   0.291   4.056  -0.690
  159    H    PHE  19           H        PHE  19  -3.972  -0.343  -0.545
  160    HA   PHE  19           HA       PHE  19  -4.632  -1.724  -2.993
  161   1HB   PHE  19          2HB       PHE  19  -4.213  -2.649  -0.651
  162   2HB   PHE  19          1HB       PHE  19  -5.837  -2.100  -0.239
  163    HD1  PHE  19           1HD      PHE  19  -3.892  -4.716  -1.737
  164    HD2  PHE  19           2HD      PHE  19  -7.787  -2.904  -1.726
  165    HE1  PHE  19           1HE      PHE  19  -4.848  -6.763  -2.761
  166    HE2  PHE  19           2HE      PHE  19  -8.742  -4.952  -2.750
  167    HZ   PHE  19           HZ       PHE  19  -7.273  -6.881  -3.267
  168    H    CYS  20           H        CYS  20  -6.697  -0.065  -0.573
  169    HA   CYS  20           HA       CYS  20  -9.148  -0.333  -2.057
  170   1HB   CYS  20          2HB       CYS  20  -8.595   0.318   0.429
  171   2HB   CYS  20          1HB       CYS  20  -8.527   1.961  -0.208
  172    HG   CYS  20           HG       CYS  20 -11.006   1.895  -0.723
  173    H    SER  21           H        SER  21  -6.525   1.997  -2.149
  174    HA   SER  21           HA       SER  21  -7.880   4.062  -3.640
  175   1HB   SER  21          2HB       SER  21  -5.066   3.293  -2.963
  176   2HB   SER  21          1HB       SER  21  -5.328   4.537  -4.180
  177    HG   SER  21           HG       SER  21  -5.215   5.474  -2.132
  178    H    GLU  22           H        GLU  22  -6.628   0.966  -4.636
  179    HA   GLU  22           HA       GLU  22  -6.843   1.867  -7.491
  180   1HB   GLU  22          2HB       GLU  22  -4.966   0.344  -7.963
  181   2HB   GLU  22          1HB       GLU  22  -4.521   1.537  -6.747
  182   1HG   GLU  22          2HG       GLU  22  -3.907  -0.168  -5.406
  183   2HG   GLU  22          1HG       GLU  22  -5.608  -0.609  -5.286
  184    H    TYR  23           H        TYR  23  -7.807  -0.538  -5.136
  185    HA   TYR  23           HA       TYR  23  -8.623  -2.474  -7.220
  186   1HB   TYR  23          2HB       TYR  23  -8.421  -2.363  -4.243
  187   2HB   TYR  23          1HB       TYR  23  -9.540  -3.527  -4.947
  188    HD1  TYR  23           1HD      TYR  23  -8.643  -5.044  -6.842
  189    HD2  TYR  23           2HD      TYR  23  -6.116  -2.855  -4.148
  190    HE1  TYR  23           1HE      TYR  23  -6.752  -6.551  -7.393
  191    HE2  TYR  23           2HE      TYR  23  -4.224  -4.361  -4.697
  192    HH   TYR  23           HH       TYR  23  -4.051  -6.221  -7.293
  193    H    ARG  24           H        ARG  24  -9.972   0.348  -6.552
  194    HA   ARG  24           HA       ARG  24 -12.719  -0.556  -5.990
  195   1HB   ARG  24          2HB       ARG  24 -11.308   2.087  -6.260
  196   2HB   ARG  24          1HB       ARG  24 -13.068   1.982  -6.202
  197   1HG   ARG  24          2HG       ARG  24 -12.952   0.785  -4.062
  198   2HG   ARG  24          1HG       ARG  24 -11.190   0.853  -4.111
  199   1HD   ARG  24          2HD       ARG  24 -11.128   3.097  -3.563
  200   2HD   ARG  24          1HD       ARG  24 -12.658   3.444  -4.392
  201    HE   ARG  24           HE       ARG  24 -12.770   1.738  -1.964
  202   1HH1  ARG  24          1HH1      ARG  24 -12.301   4.956  -2.228
  203   2HH1  ARG  24          2HH1      ARG  24 -13.846   5.457  -1.630
  204   1HH2  ARG  24          1HH2      ARG  24 -15.224   2.277  -1.763
  205   2HH2  ARG  24          2HH2      ARG  24 -15.502   3.941  -1.366
  206    HA   PRO  25           HA       PRO  25 -13.283   1.327 -10.390
  207   1HB   PRO  25          2HB       PRO  25 -11.124   1.280 -12.072
  208   2HB   PRO  25          1HB       PRO  25 -11.570   2.687 -11.085
  209   1HG   PRO  25          2HG       PRO  25  -9.469   0.641 -10.626
  210   2HG   PRO  25          1HG       PRO  25  -9.443   2.381 -10.306
  211   1HD   PRO  25          2HD       PRO  25  -9.813   0.500  -8.396
  212   2HD   PRO  25          1HD       PRO  25 -10.454   2.150  -8.263
  213    H    LYS  26           H        LYS  26 -11.353  -1.416  -9.544
  214    HA   LYS  26           HA       LYS  26 -11.826  -3.012 -11.935
  215   1HB   LYS  26          2HB       LYS  26 -10.020  -3.290 -10.149
  216   2HB   LYS  26          1HB       LYS  26 -11.294  -3.880  -9.078
  217   1HG   LYS  26          2HG       LYS  26 -10.957  -5.104 -11.803
  218   2HG   LYS  26          1HG       LYS  26  -9.897  -5.604 -10.485
  219   1HD   LYS  26          2HD       LYS  26 -12.108  -5.877  -9.128
  220   2HD   LYS  26          1HD       LYS  26 -12.885  -5.892 -10.712
  221   1HE   LYS  26          2HE       LYS  26 -11.855  -7.894 -11.348
  222   2HE   LYS  26          1HE       LYS  26 -10.506  -7.673 -10.216
  223   1HZ   LYS  26          1HZ       LYS  26 -12.029  -7.946  -8.374
  224   2HZ   LYS  26          2HZ       LYS  26 -12.117  -9.305  -9.390
  225   3HZ   LYS  26          3HZ       LYS  26 -13.339  -8.126  -9.436
  226    H    ILE  27           H        ILE  27 -13.176  -2.952  -8.636
  227    HA   ILE  27           HA       ILE  27 -15.245  -4.836  -8.842
  228    HB   ILE  27           HB       ILE  27 -15.299  -2.128  -7.453
  229   1HG1  ILE  27          2HG1      ILE  27 -13.259  -3.271  -6.780
  230   2HG1  ILE  27          1HG1      ILE  27 -14.417  -3.379  -5.468
  231   1HG2  ILE  27          1HG2      ILE  27 -16.716  -3.397  -5.792
  232   2HG2  ILE  27          2HG2      ILE  27 -16.777  -4.718  -6.958
  233   3HG2  ILE  27          3HG2      ILE  27 -17.463  -3.147  -7.370
  234   1HD1  ILE  27          1HD1      ILE  27 -13.662  -5.531  -7.442
  235   2HD1  ILE  27          2HD1      ILE  27 -15.085  -5.643  -6.404
  236   3HD1  ILE  27          3HD1      ILE  27 -13.476  -5.551  -5.688
  237    H    LYS  28           H        LYS  28 -15.086  -1.552 -10.073
  238    HA   LYS  28           HA       LYS  28 -17.934  -1.274 -10.567
  239   1HB   LYS  28          2HB       LYS  28 -15.864   0.311 -12.070
  240   2HB   LYS  28          1HB       LYS  28 -17.393   0.843 -11.387
  241   1HG   LYS  28          2HG       LYS  28 -14.780   0.358  -9.990
  242   2HG   LYS  28          1HG       LYS  28 -15.692   1.847 -10.062
  243   1HD   LYS  28          2HD       LYS  28 -16.432  -0.658  -8.511
  244   2HD   LYS  28          1HD       LYS  28 -15.916   0.886  -7.845
  245   1HE   LYS  28          2HE       LYS  28 -18.385   0.636  -9.593
  246   2HE   LYS  28          1HE       LYS  28 -18.443   0.498  -7.824
  247   1HZ   LYS  28          1HZ       LYS  28 -17.397   2.783  -9.407
  248   2HZ   LYS  28          2HZ       LYS  28 -17.192   2.624  -7.728
  249   3HZ   LYS  28          3HZ       LYS  28 -18.751   2.786  -8.385
  250    H    SER  29           H        SER  29 -15.182  -2.397 -12.471
  251    HA   SER  29           HA       SER  29 -16.401  -2.377 -15.059
  252   1HB   SER  29          2HB       SER  29 -13.967  -2.736 -14.382
  253   2HB   SER  29          1HB       SER  29 -14.413  -4.391 -13.975
  254    HG   SER  29           HG       SER  29 -14.070  -3.187 -16.421
  255    H    GLU  30           H        GLU  30 -16.759  -4.556 -12.328
  256    HA   GLU  30           HA       GLU  30 -18.482  -6.350 -14.009
  257   1HB   GLU  30          2HB       GLU  30 -16.390  -6.748 -11.962
  258   2HB   GLU  30          1HB       GLU  30 -17.815  -7.764 -11.750
  259   1HG   GLU  30          2HG       GLU  30 -16.445  -7.493 -14.427
  260   2HG   GLU  30          1HG       GLU  30 -15.940  -8.700 -13.243
  261    H    HIS  31           H        HIS  31 -18.376  -4.266 -11.216
  262    HA   HIS  31           HA       HIS  31 -21.166  -5.128 -10.513
  263   1HB   HIS  31          2HB       HIS  31 -19.105  -3.955  -8.618
  264   2HB   HIS  31          1HB       HIS  31 -20.640  -4.699  -8.197
  265    HD1  HIS  31           1HD      HIS  31 -17.113  -5.488  -9.026
  266    HD2  HIS  31           2HD      HIS  31 -20.669  -7.590  -8.480
  267    HE1  HIS  31           1HE      HIS  31 -16.472  -7.923  -8.793
  268    HA   PRO  32           HA       PRO  32 -21.379  -0.729 -11.718
  269   1HB   PRO  32          2HB       PRO  32 -23.942  -0.825 -12.664
  270   2HB   PRO  32          1HB       PRO  32 -22.535  -1.281 -13.638
  271   1HG   PRO  32          2HG       PRO  32 -24.521  -3.002 -12.271
  272   2HG   PRO  32          1HG       PRO  32 -23.658  -3.258 -13.794
  273   1HD   PRO  32          2HD       PRO  32 -23.013  -4.457 -11.395
  274   2HD   PRO  32          1HD       PRO  32 -21.901  -4.262 -12.766
  275    H    GLY  33           H        GLY  33 -23.735  -2.708  -9.980
  276   1HA   GLY  33          2HA       GLY  33 -25.038  -0.445  -8.693
  277   2HA   GLY  33          1HA       GLY  33 -25.272  -2.143  -8.293
  278    H    LEU  34           H        LEU  34 -22.167  -2.281  -8.083
  279    HA   LEU  34           HA       LEU  34 -21.919  -2.193  -5.266
  280   1HB   LEU  34          2HB       LEU  34 -20.303  -2.651  -7.611
  281   2HB   LEU  34          1HB       LEU  34 -19.382  -1.681  -6.471
  282    HG   LEU  34           HG       LEU  34 -19.072  -4.132  -6.126
  283   1HD1  LEU  34          1HD1      LEU  34 -18.575  -3.139  -4.140
  284   2HD1  LEU  34          2HD1      LEU  34 -20.052  -3.939  -3.607
  285   3HD1  LEU  34          3HD1      LEU  34 -20.092  -2.242  -4.085
  286   1HD2  LEU  34          1HD2      LEU  34 -21.775  -4.313  -6.601
  287   2HD2  LEU  34          2HD2      LEU  34 -21.715  -4.454  -4.845
  288   3HD2  LEU  34          3HD2      LEU  34 -20.807  -5.583  -5.850
  289    H    SER  35           H        SER  35 -22.894  -0.086  -4.680
  290    HA   SER  35           HA       SER  35 -21.635   2.428  -5.445
  291   1HB   SER  35          2HB       SER  35 -23.520   1.657  -3.193
  292   2HB   SER  35          1HB       SER  35 -23.162   3.310  -3.684
  293    HG   SER  35           HG       SER  35 -24.260   3.018  -5.511
  294    H    ILE  36           H        ILE  36 -20.752   3.909  -3.620
  295    HA   ILE  36           HA       ILE  36 -18.366   2.895  -2.513
  296    HB   ILE  36           HB       ILE  36 -20.160   5.169  -1.602
  297   1HG1  ILE  36          2HG1      ILE  36 -19.435   5.334  -3.958
  298   2HG1  ILE  36          1HG1      ILE  36 -18.636   6.557  -2.975
  299   1HG2  ILE  36          1HG2      ILE  36 -17.391   4.320  -0.807
  300   2HG2  ILE  36          2HG2      ILE  36 -18.693   4.959   0.197
  301   3HG2  ILE  36          3HG2      ILE  36 -17.780   6.040  -0.858
  302   1HD1  ILE  36          1HD1      ILE  36 -16.676   4.958  -2.762
  303   2HD1  ILE  36          2HD1      ILE  36 -16.947   5.586  -4.387
  304   3HD1  ILE  36          3HD1      ILE  36 -17.462   3.950  -3.977
  305    H    GLY  37           H        GLY  37 -21.640   2.753  -1.244
  306   1HA   GLY  37          2HA       GLY  37 -21.051   2.188   1.488
  307   2HA   GLY  37          1HA       GLY  37 -22.518   1.681   0.649
  308    H    ASP  38           H        ASP  38 -22.086  -0.203  -0.970
  309    HA   ASP  38           HA       ASP  38 -21.030  -2.445   0.535
  310   1HB   ASP  38          2HB       ASP  38 -22.942  -2.280  -1.216
  311   2HB   ASP  38          1HB       ASP  38 -21.655  -2.400  -2.416
  312    H    THR  39           H        THR  39 -19.742  -0.355  -1.988
  313    HA   THR  39           HA       THR  39 -17.562  -2.034  -2.843
  314    HB   THR  39           HB       THR  39 -17.926   0.979  -2.806
  315    HG1  THR  39           1HG      THR  39 -19.474  -0.316  -3.968
  316   1HG2  THR  39          1HG2      THR  39 -16.315   0.740  -4.830
  317   2HG2  THR  39          2HG2      THR  39 -15.889  -0.815  -4.115
  318   3HG2  THR  39          3HG2      THR  39 -15.624   0.675  -3.209
  319    H    ALA  40           H        ALA  40 -17.940   0.269  -0.187
  320    HA   ALA  40           HA       ALA  40 -15.136   0.331   0.561
  321   1HB   ALA  40          1HB       ALA  40 -16.108   1.376   2.630
  322   2HB   ALA  40          2HB       ALA  40 -17.715   0.969   2.031
  323   3HB   ALA  40          3HB       ALA  40 -16.706   2.109   1.142
  324    H    LYS  41           H        LYS  41 -17.957  -1.557   1.637
  325    HA   LYS  41           HA       LYS  41 -16.301  -3.032   3.587
  326   1HB   LYS  41          2HB       LYS  41 -18.440  -3.971   4.290
  327   2HB   LYS  41          1HB       LYS  41 -18.594  -2.228   4.111
  328   1HG   LYS  41          2HG       LYS  41 -19.437  -2.739   1.722
  329   2HG   LYS  41          1HG       LYS  41 -19.615  -4.398   2.278
  330   1HD   LYS  41          2HD       LYS  41 -21.732  -3.232   2.576
  331   2HD   LYS  41          1HD       LYS  41 -21.035  -3.581   4.157
  332   1HE   LYS  41          2HE       LYS  41 -19.992  -1.048   3.388
  333   2HE   LYS  41          1HE       LYS  41 -21.731  -1.011   3.039
  334   1HZ   LYS  41          1HZ       LYS  41 -20.495  -1.925   5.583
  335   2HZ   LYS  41          2HZ       LYS  41 -22.159  -1.920   5.240
  336   3HZ   LYS  41          3HZ       LYS  41 -21.308  -0.453   5.356
  337    H    LYS  42           H        LYS  42 -17.194  -3.414   0.279
  338    HA   LYS  42           HA       LYS  42 -17.261  -6.336   0.258
  339   1HB   LYS  42          2HB       LYS  42 -18.446  -4.970  -1.402
  340   2HB   LYS  42          1HB       LYS  42 -16.929  -4.232  -1.910
  341   1HG   LYS  42          2HG       LYS  42 -17.600  -6.006  -3.476
  342   2HG   LYS  42          1HG       LYS  42 -16.109  -6.453  -2.643
  343   1HD   LYS  42          2HD       LYS  42 -17.107  -8.156  -1.481
  344   2HD   LYS  42          1HD       LYS  42 -18.636  -7.289  -1.323
  345   1HE   LYS  42          2HE       LYS  42 -19.455  -8.096  -3.319
  346   2HE   LYS  42          1HE       LYS  42 -17.850  -8.154  -4.074
  347   1HZ   LYS  42          1HZ       LYS  42 -18.822  -9.954  -1.917
  348   2HZ   LYS  42          2HZ       LYS  42 -17.267  -9.987  -2.601
  349   3HZ   LYS  42          3HZ       LYS  42 -18.622 -10.384  -3.545
  350    H    LEU  43           H        LEU  43 -14.932  -3.967  -1.115
  351    HA   LEU  43           HA       LEU  43 -12.840  -5.649  -1.837
  352   1HB   LEU  43          2HB       LEU  43 -12.857  -2.906  -0.555
  353   2HB   LEU  43          1HB       LEU  43 -11.408  -3.621  -1.262
  354    HG   LEU  43           HG       LEU  43 -13.966  -3.466  -2.844
  355   1HD1  LEU  43          1HD1      LEU  43 -13.527  -1.180  -2.085
  356   2HD1  LEU  43          2HD1      LEU  43 -13.114  -1.326  -3.794
  357   3HD1  LEU  43          3HD1      LEU  43 -11.838  -1.319  -2.576
  358   1HD2  LEU  43          1HD2      LEU  43 -12.417  -3.558  -4.728
  359   2HD2  LEU  43          2HD2      LEU  43 -12.042  -4.870  -3.612
  360   3HD2  LEU  43          3HD2      LEU  43 -11.038  -3.420  -3.638
  361    H    GLY  44           H        GLY  44 -13.764  -4.725   1.434
  362   1HA   GLY  44          2HA       GLY  44 -11.352  -5.498   2.775
  363   2HA   GLY  44          1HA       GLY  44 -12.947  -5.408   3.527
  364    H    GLU  45           H        GLU  45 -14.207  -7.293   1.720
  365    HA   GLU  45           HA       GLU  45 -13.941  -9.735   3.065
  366   1HB   GLU  45          2HB       GLU  45 -15.595  -8.817   1.241
  367   2HB   GLU  45          1HB       GLU  45 -14.502  -9.617   0.111
  368   1HG   GLU  45          2HG       GLU  45 -16.159 -11.246   0.631
  369   2HG   GLU  45          1HG       GLU  45 -14.746 -11.701   1.583
  370    H    MET  46           H        MET  46 -12.075  -8.576   0.269
  371    HA   MET  46           HA       MET  46 -10.612 -11.124   0.004
  372   1HB   MET  46          2HB       MET  46 -10.496  -8.401  -1.323
  373   2HB   MET  46          1HB       MET  46  -9.432  -9.732  -1.775
  374   1HG   MET  46          2HG       MET  46 -11.343 -11.122  -2.363
  375   2HG   MET  46          1HG       MET  46 -12.460  -9.882  -1.792
  376   1HE   MET  46          1HE       MET  46 -13.313 -10.313  -4.955
  377   2HE   MET  46          2HE       MET  46 -12.228 -11.502  -4.238
  378   3HE   MET  46          3HE       MET  46 -11.786 -10.717  -5.751
  379    H    TRP  47           H        TRP  47  -9.963  -7.790   1.083
  380    HA   TRP  47           HA       TRP  47  -7.182  -7.948   1.548
  381   1HB   TRP  47          2HB       TRP  47  -8.616  -5.921   1.663
  382   2HB   TRP  47          1HB       TRP  47  -9.314  -6.517   3.169
  383    HD1  TRP  47           HD       TRP  47  -8.173  -5.700   5.279
  384    HE1  TRP  47           1HE      TRP  47  -5.855  -4.748   5.880
  385    HE3  TRP  47           3HE      TRP  47  -5.847  -6.106   0.749
  386    HZ2  TRP  47           2HZ      TRP  47  -3.345  -4.226   4.610
  387    HZ3  TRP  47           3HZ      TRP  47  -3.495  -5.376   0.474
  388    HH2  TRP  47           HH       TRP  47  -2.242  -4.438   2.397
  389    H    SER  48           H        SER  48  -9.797  -9.448   3.349
  390    HA   SER  48           HA       SER  48  -8.060  -9.988   5.690
  391   1HB   SER  48          2HB       SER  48 -10.195 -10.973   6.548
  392   2HB   SER  48          1HB       SER  48 -10.387  -9.306   6.011
  393    HG   SER  48           HG       SER  48 -12.027 -10.720   5.210
  394    H    GLU  49           H        GLU  49  -9.534 -11.650   2.933
  395    HA   GLU  49           HA       GLU  49  -9.018 -14.354   3.736
  396   1HB   GLU  49          2HB       GLU  49  -9.408 -12.885   1.129
  397   2HB   GLU  49          1HB       GLU  49  -9.063 -14.615   1.136
  398   1HG   GLU  49          2HG       GLU  49 -11.258 -13.461   2.852
  399   2HG   GLU  49          1HG       GLU  49 -11.550 -13.888   1.166
  400    H    GLN  50           H        GLN  50  -7.041 -11.944   2.045
  401    HA   GLN  50           HA       GLN  50  -4.872 -13.650   1.273
  402   1HB   GLN  50          2HB       GLN  50  -3.651 -11.486   1.116
  403   2HB   GLN  50          1HB       GLN  50  -5.258 -11.384   0.400
  404   1HG   GLN  50          2HG       GLN  50  -6.132 -10.189   2.257
  405   2HG   GLN  50          1HG       GLN  50  -4.753 -10.604   3.275
  406   1HE2  GLN  50          1HE2      GLN  50  -5.428  -8.886   0.168
  407   2HE2  GLN  50          2HE2      GLN  50  -4.251  -7.686   0.410
  408    H    SER  51           H        SER  51  -2.832 -13.981   2.313
  409    HA   SER  51           HA       SER  51  -2.956 -13.861   5.294
  410   1HB   SER  51          2HB       SER  51  -2.577 -15.998   3.946
  411   2HB   SER  51          1HB       SER  51  -1.018 -15.325   3.476
  412    HG   SER  51           HG       SER  51  -1.941 -15.768   6.130
  413    H    ALA  52           H        ALA  52  -0.032 -14.106   5.514
  414    HA   ALA  52           HA       ALA  52   0.661 -11.252   5.340
  415   1HB   ALA  52          1HB       ALA  52   2.099 -13.746   6.304
  416   2HB   ALA  52          2HB       ALA  52   1.239 -12.575   7.303
  417   3HB   ALA  52          3HB       ALA  52   2.731 -12.110   6.487
  418    H    LYS  53           H        LYS  53   0.306 -11.974   2.751
  419    HA   LYS  53           HA       LYS  53   3.099 -12.252   1.692
  420   1HB   LYS  53          2HB       LYS  53   0.585 -13.758   1.148
  421   2HB   LYS  53          1HB       LYS  53   1.610 -13.403  -0.243
  422   1HG   LYS  53          2HG       LYS  53   3.532 -14.435   0.878
  423   2HG   LYS  53          1HG       LYS  53   2.550 -14.744   2.310
  424   1HD   LYS  53          2HD       LYS  53   1.277 -16.392   1.246
  425   2HD   LYS  53          1HD       LYS  53   1.650 -15.779  -0.366
  426   1HE   LYS  53          2HE       LYS  53   3.831 -16.709  -0.345
  427   2HE   LYS  53          1HE       LYS  53   3.812 -16.925   1.417
  428   1HZ   LYS  53          1HZ       LYS  53   3.324 -19.020   0.356
  429   2HZ   LYS  53          2HZ       LYS  53   2.071 -18.317  -0.549
  430   3HZ   LYS  53          3HZ       LYS  53   1.928 -18.456   1.138
  431    H    ASP  54           H        ASP  54  -0.252 -11.304   0.843
  432    HA   ASP  54           HA       ASP  54   0.479  -9.678  -1.421
  433   1HB   ASP  54          2HB       ASP  54  -1.775 -10.734  -0.682
  434   2HB   ASP  54          1HB       ASP  54  -1.956  -9.295   0.321
  435    H    LYS  55           H        LYS  55   0.287  -9.020   2.040
  436    HA   LYS  55           HA       LYS  55   0.350  -6.110   1.743
  437   1HB   LYS  55          2HB       LYS  55   0.546  -8.133   3.962
  438   2HB   LYS  55          1HB       LYS  55   0.915  -6.440   4.286
  439   1HG   LYS  55          2HG       LYS  55  -1.268  -5.733   3.656
  440   2HG   LYS  55          1HG       LYS  55  -1.636  -7.286   2.906
  441   1HD   LYS  55          2HD       LYS  55  -0.997  -7.065   5.849
  442   2HD   LYS  55          1HD       LYS  55  -2.639  -6.849   5.240
  443   1HE   LYS  55          2HE       LYS  55  -2.861  -9.077   4.653
  444   2HE   LYS  55          1HE       LYS  55  -1.127  -9.266   4.317
  445   1HZ   LYS  55          1HZ       LYS  55  -2.288  -8.821   7.017
  446   2HZ   LYS  55          2HZ       LYS  55  -0.652  -9.104   6.654
  447   3HZ   LYS  55          3HZ       LYS  55  -1.803 -10.333   6.421
  448    H    GLN  56           H        GLN  56   2.723  -8.672   2.407
  449    HA   GLN  56           HA       GLN  56   4.980  -7.337   3.257
  450   1HB   GLN  56          2HB       GLN  56   4.367  -9.669   1.551
  451   2HB   GLN  56          1HB       GLN  56   6.013  -9.056   1.392
  452   1HG   GLN  56          2HG       GLN  56   4.757  -9.550   4.095
  453   2HG   GLN  56          1HG       GLN  56   5.605 -10.824   3.218
  454   1HE2  GLN  56          1HE2      GLN  56   7.752 -10.978   3.856
  455   2HE2  GLN  56          2HE2      GLN  56   8.726  -9.676   4.340
  456    HA   PRO  57           HA       PRO  57   6.271  -5.919  -1.100
  457   1HB   PRO  57          2HB       PRO  57   4.570  -6.234  -3.203
  458   2HB   PRO  57          1HB       PRO  57   5.724  -7.486  -2.704
  459   1HG   PRO  57          2HG       PRO  57   2.811  -7.296  -2.214
  460   2HG   PRO  57          1HG       PRO  57   3.810  -8.721  -2.522
  461   1HD   PRO  57          2HD       PRO  57   2.893  -7.947  -0.041
  462   2HD   PRO  57          1HD       PRO  57   4.309  -8.985  -0.319
  463    H    TYR  58           H        TYR  58   2.755  -5.622  -0.628
  464    HA   TYR  58           HA       TYR  58   2.647  -2.913  -1.736
  465   1HB   TYR  58          2HB       TYR  58   0.907  -5.045  -1.243
  466   2HB   TYR  58          1HB       TYR  58   0.383  -3.803  -0.110
  467    HD1  TYR  58           1HD      TYR  58   1.716  -3.817  -3.625
  468    HD2  TYR  58           2HD      TYR  58  -1.367  -2.511  -0.934
  469    HE1  TYR  58           1HE      TYR  58   0.611  -2.599  -5.481
  470    HE2  TYR  58           2HE      TYR  58  -2.470  -1.293  -2.791
  471    HH   TYR  58           HH       TYR  58  -0.985  -0.555  -5.642
  472    H    GLU  59           H        GLU  59   3.653  -4.079   1.297
  473    HA   GLU  59           HA       GLU  59   2.541  -1.828   2.854
  474   1HB   GLU  59          2HB       GLU  59   3.598  -3.005   4.731
  475   2HB   GLU  59          1HB       GLU  59   2.695  -4.143   3.739
  476   1HG   GLU  59          2HG       GLU  59   4.561  -5.370   3.464
  477   2HG   GLU  59          1HG       GLU  59   5.326  -4.007   2.653
  478    H    GLN  60           H        GLN  60   5.525  -2.660   1.223
  479    HA   GLN  60           HA       GLN  60   7.182  -0.728   2.658
  480   1HB   GLN  60          2HB       GLN  60   8.825  -1.345   0.893
  481   2HB   GLN  60          1HB       GLN  60   8.099  -2.764   1.644
  482   1HG   GLN  60          2HG       GLN  60   6.765  -3.229  -0.221
  483   2HG   GLN  60          1HG       GLN  60   6.889  -1.585  -0.847
  484   1HE2  GLN  60          1HE2      GLN  60   8.221  -1.496  -2.654
  485   2HE2  GLN  60          2HE2      GLN  60   9.595  -2.459  -2.906
  486    H    LYS  61           H        LYS  61   5.030  -0.616  -0.082
  487    HA   LYS  61           HA       LYS  61   6.117   1.663  -1.458
  488   1HB   LYS  61          2HB       LYS  61   4.454   0.108  -2.400
  489   2HB   LYS  61          1HB       LYS  61   3.284   0.590  -1.172
  490   1HG   LYS  61          2HG       LYS  61   3.057   2.768  -2.086
  491   2HG   LYS  61          1HG       LYS  61   4.514   2.597  -3.068
  492   1HD   LYS  61          2HD       LYS  61   3.308   0.671  -4.253
  493   2HD   LYS  61          1HD       LYS  61   1.840   1.242  -3.457
  494   1HE   LYS  61          2HE       LYS  61   2.145   3.476  -4.483
  495   2HE   LYS  61          1HE       LYS  61   3.609   2.891  -5.301
  496   1HZ   LYS  61          1HZ       LYS  61   0.917   1.652  -5.541
  497   2HZ   LYS  61          2HZ       LYS  61   2.324   1.168  -6.361
  498   3HZ   LYS  61          3HZ       LYS  61   1.613   2.674  -6.701
  499    H    ALA  62           H        ALA  62   3.715   1.374   1.170
  500    HA   ALA  62           HA       ALA  62   3.347   4.277   1.353
  501   1HB   ALA  62          1HB       ALA  62   1.503   2.833   1.876
  502   2HB   ALA  62          2HB       ALA  62   2.044   3.512   3.411
  503   3HB   ALA  62          3HB       ALA  62   2.491   1.864   2.969
  504    H    ALA  63           H        ALA  63   5.620   1.972   2.576
  505    HA   ALA  63           HA       ALA  63   6.295   3.080   5.110
  506   1HB   ALA  63          1HB       ALA  63   8.381   1.846   4.772
  507   2HB   ALA  63          2HB       ALA  63   8.097   1.791   3.032
  508   3HB   ALA  63          3HB       ALA  63   7.042   0.896   4.126
  509    H    LYS  64           H        LYS  64   7.277   3.990   1.804
  510    HA   LYS  64           HA       LYS  64   9.304   5.898   2.640
  511   1HB   LYS  64          2HB       LYS  64   7.696   5.499   0.095
  512   2HB   LYS  64          1HB       LYS  64   9.072   6.595   0.229
  513   1HG   LYS  64          2HG       LYS  64   9.278   3.669   0.956
  514   2HG   LYS  64          1HG       LYS  64   9.572   4.251  -0.683
  515   1HD   LYS  64          2HD       LYS  64  11.284   5.825   0.224
  516   2HD   LYS  64          1HD       LYS  64  11.043   5.118   1.822
  517   1HE   LYS  64          2HE       LYS  64  11.861   2.976   1.101
  518   2HE   LYS  64          1HE       LYS  64  11.829   3.471  -0.603
  519   1HZ   LYS  64          1HZ       LYS  64  13.423   5.215  -0.091
  520   2HZ   LYS  64          2HZ       LYS  64  14.058   3.696   0.323
  521   3HZ   LYS  64          3HZ       LYS  64  13.469   4.731   1.533
  522    H    LEU  65           H        LEU  65   6.123   6.458   1.080
  523    HA   LEU  65           HA       LEU  65   5.891   9.218   1.511
  524   1HB   LEU  65          2HB       LEU  65   4.024   6.902   1.220
  525   2HB   LEU  65          1HB       LEU  65   3.330   8.458   1.680
  526    HG   LEU  65           HG       LEU  65   4.782   9.397  -0.283
  527   1HD1  LEU  65          1HD1      LEU  65   4.615   6.439  -0.915
  528   2HD1  LEU  65          2HD1      LEU  65   6.075   7.418  -0.769
  529   3HD1  LEU  65          3HD1      LEU  65   4.974   7.674  -2.122
  530   1HD2  LEU  65          1HD2      LEU  65   2.916   9.131  -1.774
  531   2HD2  LEU  65          2HD2      LEU  65   2.249   9.180  -0.143
  532   3HD2  LEU  65          3HD2      LEU  65   2.417   7.638  -0.981
  533    H    LYS  66           H        LYS  66   5.562   6.650   3.875
  534    HA   LYS  66           HA       LYS  66   4.081   8.146   5.870
  535   1HB   LYS  66          2HB       LYS  66   4.235   5.695   5.811
  536   2HB   LYS  66          1HB       LYS  66   5.978   5.778   6.053
  537   1HG   LYS  66          2HG       LYS  66   5.773   6.176   8.286
  538   2HG   LYS  66          1HG       LYS  66   4.392   7.248   8.065
  539   1HD   LYS  66          2HD       LYS  66   2.862   5.437   7.958
  540   2HD   LYS  66          1HD       LYS  66   4.150   4.261   7.695
  541   1HE   LYS  66          2HE       LYS  66   4.939   5.314  10.084
  542   2HE   LYS  66          1HE       LYS  66   3.175   5.436  10.233
  543   1HZ   LYS  66          1HZ       LYS  66   3.962   3.242  10.913
  544   2HZ   LYS  66          2HZ       LYS  66   4.672   3.011   9.387
  545   3HZ   LYS  66          3HZ       LYS  66   2.984   3.135   9.532
  546    H    GLU  67           H        GLU  67   7.560   7.328   5.562
  547    HA   GLU  67           HA       GLU  67   8.470   8.920   7.761
  548   1HB   GLU  67          2HB       GLU  67   9.715   7.879   5.205
  549   2HB   GLU  67          1HB       GLU  67  10.660   8.764   6.403
  550   1HG   GLU  67          2HG       GLU  67   9.799   7.098   8.129
  551   2HG   GLU  67          1HG       GLU  67   9.189   6.146   6.775
  552    H    LYS  68           H        LYS  68   8.396   9.629   4.251
  553    HA   LYS  68           HA       LYS  68   9.370  12.299   4.358
  554   1HB   LYS  68          2HB       LYS  68   7.455  10.840   2.517
  555   2HB   LYS  68          1HB       LYS  68   8.063  12.459   2.170
  556   1HG   LYS  68          2HG       LYS  68  10.339  11.678   2.115
  557   2HG   LYS  68          1HG       LYS  68   9.867  10.092   2.730
  558   1HD   LYS  68          2HD       LYS  68   8.816   9.485   0.710
  559   2HD   LYS  68          1HD       LYS  68   8.708  11.157   0.160
  560   1HE   LYS  68          2HE       LYS  68  11.058  11.265  -0.294
  561   2HE   LYS  68          1HE       LYS  68  11.362   9.748   0.576
  562   1HZ   LYS  68          1HZ       LYS  68   9.942   8.595  -1.005
  563   2HZ   LYS  68          2HZ       LYS  68  11.223   9.366  -1.815
  564   3HZ   LYS  68          3HZ       LYS  68   9.663  10.041  -1.848
  565    H    TYR  69           H        TYR  69   6.274  10.996   5.303
  566    HA   TYR  69           HA       TYR  69   4.874  13.586   5.173
  567   1HB   TYR  69          2HB       TYR  69   3.720  11.489   4.662
  568   2HB   TYR  69          1HB       TYR  69   4.180  10.819   6.224
  569    HD1  TYR  69           1HD      TYR  69   3.276  11.885   8.339
  570    HD2  TYR  69           2HD      TYR  69   1.789  12.874   4.433
  571    HE1  TYR  69           1HE      TYR  69   1.238  12.855   9.362
  572    HE2  TYR  69           2HE      TYR  69  -0.249  13.848   5.456
  573    HH   TYR  69           HH       TYR  69  -0.511  14.417   8.846
  574    H    GLU  70           H        GLU  70   5.610  11.251   7.792
  575    HA   GLU  70           HA       GLU  70   5.014  13.099   9.925
  576   1HB   GLU  70          2HB       GLU  70   6.149  10.387   9.545
  577   2HB   GLU  70          1HB       GLU  70   6.583  11.188  11.055
  578   1HG   GLU  70          2HG       GLU  70   4.405  11.229  11.823
  579   2HG   GLU  70          1HG       GLU  70   3.723  11.289  10.197
  580    H    LYS  71           H        LYS  71   8.050  12.297   8.248
  581    HA   LYS  71           HA       LYS  71   9.683  13.782  10.194
  582   1HB   LYS  71          2HB       LYS  71  10.307  12.536   7.501
  583   2HB   LYS  71          1HB       LYS  71  11.505  13.117   8.655
  584   1HG   LYS  71          2HG       LYS  71   9.441  11.013   9.347
  585   2HG   LYS  71          1HG       LYS  71  11.054  10.619   8.749
  586   1HD   LYS  71          2HD       LYS  71  11.919  12.137  10.655
  587   2HD   LYS  71          1HD       LYS  71  10.295  11.993  11.327
  588   1HE   LYS  71          2HE       LYS  71  11.776   9.504  10.495
  589   2HE   LYS  71          1HE       LYS  71  12.111  10.252  12.070
  590   1HZ   LYS  71          1HZ       LYS  71  10.282   8.695  12.268
  591   2HZ   LYS  71          2HZ       LYS  71   9.432   9.489  11.030
  592   3HZ   LYS  71          3HZ       LYS  71   9.719  10.277  12.506
  593    H    ASP  72           H        ASP  72   7.910  14.615   7.338
  594    HA   ASP  72           HA       ASP  72   9.606  17.043   6.911
  595   1HB   ASP  72          2HB       ASP  72   8.952  15.286   5.106
  596   2HB   ASP  72          1HB       ASP  72   7.370  16.066   5.144
  597    H    ILE  73           H        ILE  73   6.459  16.020   8.043
  598    HA   ILE  73           HA       ILE  73   5.195  18.641   7.658
  599    HB   ILE  73           HB       ILE  73   4.014  16.443   7.563
  600   1HG1  ILE  73          2HG1      ILE  73   2.239  17.185   9.406
  601   2HG1  ILE  73          1HG1      ILE  73   3.236  18.639   9.438
  602   1HG2  ILE  73          1HG2      ILE  73   3.939  14.970   9.316
  603   2HG2  ILE  73          2HG2      ILE  73   3.959  16.251  10.528
  604   3HG2  ILE  73          3HG2      ILE  73   5.459  15.753   9.747
  605   1HD1  ILE  73          1HD1      ILE  73   2.130  17.432   6.889
  606   2HD1  ILE  73          2HD1      ILE  73   2.919  18.999   7.075
  607   3HD1  ILE  73          3HD1      ILE  73   1.327  18.724   7.782
  608    H    ALA  74           H        ALA  74   7.086  17.082  10.146
  609    HA   ALA  74           HA       ALA  74   6.193  18.559  12.440
  610   1HB   ALA  74          1HB       ALA  74   8.523  17.909  13.258
  611   2HB   ALA  74          2HB       ALA  74   8.809  17.242  11.651
  612   3HB   ALA  74          3HB       ALA  74   7.535  16.572  12.671
  613    H    ALA  75           H        ALA  75   8.726  19.194  10.017
  614    HA   ALA  75           HA       ALA  75   9.363  21.811  11.259
  615   1HB   ALA  75          1HB       ALA  75  11.193  21.771   9.635
  616   2HB   ALA  75          2HB       ALA  75  10.456  20.402   8.803
  617   3HB   ALA  75          3HB       ALA  75  11.092  20.204  10.435
  618    H    TYR  76           H        TYR  76   7.090  20.667   9.018
  619    HA   TYR  76           HA       TYR  76   7.207  22.973   7.188
  620   1HB   TYR  76          2HB       TYR  76   6.650  20.631   6.508
  621   2HB   TYR  76          1HB       TYR  76   5.191  20.720   7.495
  622    HD1  TYR  76           1HD      TYR  76   6.911  22.048   4.502
  623    HD2  TYR  76           2HD      TYR  76   3.279  22.034   6.795
  624    HE1  TYR  76           1HE      TYR  76   5.727  23.163   2.631
  625    HE2  TYR  76           2HE      TYR  76   2.094  23.149   4.923
  626    HH   TYR  76           HH       TYR  76   3.485  24.756   2.568
  627    H    ARG  77           H        ARG  77   5.475  22.001  10.081
  628    HA   ARG  77           HA       ARG  77   3.222  23.802   9.776
  629   1HB   ARG  77          2HB       ARG  77   4.505  22.376  12.128
  630   2HB   ARG  77          1HB       ARG  77   2.985  23.264  12.244
  631   1HG   ARG  77          2HG       ARG  77   1.830  21.732  10.943
  632   2HG   ARG  77          1HG       ARG  77   3.279  21.220  10.076
  633   1HD   ARG  77          2HD       ARG  77   3.202  19.396  11.454
  634   2HD   ARG  77          1HD       ARG  77   3.867  20.491  12.684
  635    HE   ARG  77           HE       ARG  77   1.481  21.015  13.310
  636   1HH1  ARG  77          1HH1      ARG  77   1.992  18.226  14.161
  637   2HH1  ARG  77          2HH1      ARG  77   0.674  17.360  13.447
  638   1HH2  ARG  77          1HH2      ARG  77  -0.130  19.891  11.218
  639   2HH2  ARG  77          2HH2      ARG  77  -0.528  18.302  11.780
  640    H    ALA  78           H        ALA  78   5.526  24.032  12.488
  641    HA   ALA  78           HA       ALA  78   5.860  26.949  11.886
  642   1HB   ALA  78          1HB       ALA  78   5.179  27.455  14.051
  643   2HB   ALA  78          2HB       ALA  78   5.727  25.905  14.692
  644   3HB   ALA  78          3HB       ALA  78   4.223  25.998  13.776
  645    H    LYS  79           H        LYS  79   7.498  27.063  14.464
  646    HA   LYS  79           HA       LYS  79   9.782  26.919  15.031
  647   1HB   LYS  79          2HB       LYS  79   9.339  24.221  13.751
  648   2HB   LYS  79          1HB       LYS  79  10.680  24.622  14.815
  649   1HG   LYS  79          2HG       LYS  79   9.378  24.569  16.694
  650   2HG   LYS  79          1HG       LYS  79   7.975  25.243  15.865
  651   1HD   LYS  79          2HD       LYS  79   8.947  22.430  15.337
  652   2HD   LYS  79          1HD       LYS  79   7.786  22.796  16.614
  653   1HE   LYS  79          2HE       LYS  79   6.475  24.054  14.722
  654   2HE   LYS  79          1HE       LYS  79   7.445  23.044  13.631
  655   1HZ   LYS  79          1HZ       LYS  79   6.718  21.088  14.725
  656   2HZ   LYS  79          2HZ       LYS  79   5.320  22.000  14.409
  657   3HZ   LYS  79          3HZ       LYS  79   5.980  21.965  15.975
  Start of MODEL   12
    1   1H    MET   1          1HT       MET   1 -14.507  13.147  -0.305
    2   2H    MET   1          2HT       MET   1 -13.539  13.815   0.920
    3   3H    MET   1          3HT       MET   1 -12.991  12.470   0.039
    4    HA   MET   1           HA       MET   1 -12.941  13.836  -1.997
    5   1HB   MET   1          2HB       MET   1 -14.762  15.298  -0.741
    6   2HB   MET   1          1HB       MET   1 -13.348  16.200  -0.194
    7   1HG   MET   1          2HG       MET   1 -14.056  17.257  -2.220
    8   2HG   MET   1          1HG       MET   1 -12.631  16.307  -2.639
    9   1HE   MET   1          1HE       MET   1 -12.375  14.563  -3.771
   10   2HE   MET   1          2HE       MET   1 -13.009  15.183  -5.291
   11   3HE   MET   1          3HE       MET   1 -13.502  13.590  -4.726
   12    H    LYS   2           H        LYS   2 -10.986  15.150  -2.454
   13    HA   LYS   2           HA       LYS   2  -8.884  14.708  -0.401
   14   1HB   LYS   2          2HB       LYS   2  -9.120  14.895  -3.331
   15   2HB   LYS   2          1HB       LYS   2  -7.683  15.684  -2.680
   16   1HG   LYS   2          2HG       LYS   2  -7.791  13.298  -1.256
   17   2HG   LYS   2          1HG       LYS   2  -8.316  12.829  -2.869
   18   1HD   LYS   2          2HD       LYS   2  -6.261  14.257  -3.660
   19   2HD   LYS   2          1HD       LYS   2  -5.700  14.022  -2.004
   20   1HE   LYS   2          2HE       LYS   2  -6.699  11.560  -3.289
   21   2HE   LYS   2          1HE       LYS   2  -5.254  12.254  -4.048
   22   1HZ   LYS   2          1HZ       LYS   2  -4.656  10.822  -2.179
   23   2HZ   LYS   2          2HZ       LYS   2  -5.606  11.769  -1.136
   24   3HZ   LYS   2          3HZ       LYS   2  -4.227  12.434  -1.871
   25    H    LYS   3           H        LYS   3  -7.071  16.665  -1.005
   26    HA   LYS   3           HA       LYS   3  -8.101  19.332  -1.233
   27   1HB   LYS   3          2HB       LYS   3  -8.653  18.057   1.205
   28   2HB   LYS   3          1HB       LYS   3  -7.281  19.104   1.564
   29   1HG   LYS   3          2HG       LYS   3  -9.621  20.168  -0.002
   30   2HG   LYS   3          1HG       LYS   3  -9.696  20.085   1.758
   31   1HD   LYS   3          2HD       LYS   3  -7.616  21.407   1.911
   32   2HD   LYS   3          1HD       LYS   3  -7.545  21.497   0.151
   33   1HE   LYS   3          2HE       LYS   3  -8.589  23.537   0.755
   34   2HE   LYS   3          1HE       LYS   3  -9.967  22.490   0.358
   35   1HZ   LYS   3          1HZ       LYS   3 -10.291  23.516   2.518
   36   2HZ   LYS   3          2HZ       LYS   3  -8.806  22.897   3.066
   37   3HZ   LYS   3          3HZ       LYS   3 -10.086  21.842   2.694
   38    H    LYS   4           H        LYS   4  -5.587  17.218   0.096
   39    HA   LYS   4           HA       LYS   4  -3.495  19.060   0.506
   40   1HB   LYS   4          2HB       LYS   4  -3.497  16.195  -0.487
   41   2HB   LYS   4          1HB       LYS   4  -2.061  17.032   0.102
   42   1HG   LYS   4          2HG       LYS   4  -4.471  17.098   1.851
   43   2HG   LYS   4          1HG       LYS   4  -3.615  15.561   1.725
   44   1HD   LYS   4          2HD       LYS   4  -2.460  16.562   3.479
   45   2HD   LYS   4          1HD       LYS   4  -1.480  17.066   2.102
   46   1HE   LYS   4          2HE       LYS   4  -2.339  19.259   2.127
   47   2HE   LYS   4          1HE       LYS   4  -3.783  18.779   3.042
   48   1HZ   LYS   4          1HZ       LYS   4  -2.142  19.848   4.481
   49   2HZ   LYS   4          2HZ       LYS   4  -0.989  18.675   4.055
   50   3HZ   LYS   4          3HZ       LYS   4  -2.380  18.229   4.923
   51    H    ASP   5           H        ASP   5  -1.382  18.486  -1.073
   52    HA   ASP   5           HA       ASP   5  -2.126  18.975  -3.918
   53   1HB   ASP   5          2HB       ASP   5  -1.330  20.956  -1.966
   54   2HB   ASP   5          1HB       ASP   5  -0.090  20.845  -3.216
   55    HA   PRO   6           HA       PRO   6   1.629  16.837  -4.802
   56   1HB   PRO   6          2HB       PRO   6   3.081  18.407  -6.513
   57   2HB   PRO   6          1HB       PRO   6   1.610  17.544  -7.002
   58   1HG   PRO   6          2HG       PRO   6   1.966  20.407  -6.267
   59   2HG   PRO   6          1HG       PRO   6   0.976  19.685  -7.545
   60   1HD   PRO   6          2HD       PRO   6  -0.052  20.552  -5.194
   61   2HD   PRO   6          1HD       PRO   6  -0.758  19.211  -6.119
   62    H    ASN   7           H        ASN   7   2.219  20.233  -3.964
   63    HA   ASN   7           HA       ASN   7   4.965  19.794  -3.083
   64   1HB   ASN   7          2HB       ASN   7   3.725  21.925  -3.940
   65   2HB   ASN   7          1HB       ASN   7   3.173  22.080  -2.273
   66   1HD2  ASN   7          1HD2      ASN   7   4.978  22.082  -0.569
   67   2HD2  ASN   7          2HD2      ASN   7   6.465  22.783  -0.993
   68    H    ALA   8           H        ALA   8   1.808  19.498  -1.600
   69    HA   ALA   8           HA       ALA   8   3.040  19.311   1.118
   70   1HB   ALA   8          1HB       ALA   8   0.099  19.288   0.428
   71   2HB   ALA   8          2HB       ALA   8   1.003  20.801   0.449
   72   3HB   ALA   8          3HB       ALA   8   0.871  19.833   1.917
   73    HA   PRO   9           HA       PRO   9   2.609  14.906   0.552
   74   1HB   PRO   9          2HB       PRO   9   3.018  14.099   3.133
   75   2HB   PRO   9          1HB       PRO   9   4.334  14.617   2.061
   76   1HG   PRO   9          2HG       PRO   9   2.949  16.123   4.221
   77   2HG   PRO   9          1HG       PRO   9   4.661  16.109   3.772
   78   1HD   PRO   9          2HD       PRO   9   2.943  18.111   3.076
   79   2HD   PRO   9          1HD       PRO   9   4.376  17.674   2.120
   80    H    LYS  10           H        LYS  10   0.601  14.039   0.255
   81    HA   LYS  10           HA       LYS  10  -1.751  14.833   1.670
   82   1HB   LYS  10          2HB       LYS  10  -2.744  12.900   0.454
   83   2HB   LYS  10          1HB       LYS  10  -1.729  13.883  -0.599
   84   1HG   LYS  10          2HG       LYS  10  -0.105  11.865   0.684
   85   2HG   LYS  10          1HG       LYS  10  -1.498  11.099  -0.077
   86   1HD   LYS  10          2HD       LYS  10  -0.977  12.229  -2.201
   87   2HD   LYS  10          1HD       LYS  10   0.405  13.023  -1.448
   88   1HE   LYS  10          2HE       LYS  10   1.424  10.807  -0.985
   89   2HE   LYS  10          1HE       LYS  10   0.048  10.023  -1.788
   90   1HZ   LYS  10          1HZ       LYS  10   1.931  10.423  -3.311
   91   2HZ   LYS  10          2HZ       LYS  10   1.776  12.093  -3.038
   92   3HZ   LYS  10          3HZ       LYS  10   0.521  11.232  -3.792
   93    H    ARG  11           H        ARG  11  -3.074  12.527   2.437
   94    HA   ARG  11           HA       ARG  11  -2.136  12.040   5.085
   95   1HB   ARG  11          2HB       ARG  11  -4.142  10.890   3.189
   96   2HB   ARG  11          1HB       ARG  11  -3.767   9.959   4.638
   97   1HG   ARG  11          2HG       ARG  11  -5.589  11.376   5.244
   98   2HG   ARG  11          1HG       ARG  11  -4.155  12.120   5.953
   99   1HD   ARG  11          2HD       ARG  11  -4.007  13.702   4.082
  100   2HD   ARG  11          1HD       ARG  11  -5.397  12.927   3.296
  101    HE   ARG  11           HE       ARG  11  -5.505  14.571   5.758
  102   1HH1  ARG  11          1HH1      ARG  11  -7.248  12.219   6.197
  103   2HH1  ARG  11          2HH1      ARG  11  -8.752  12.722   5.503
  104   1HH2  ARG  11          1HH2      ARG  11  -7.353  15.333   3.700
  105   2HH2  ARG  11          2HH2      ARG  11  -8.812  14.485   4.090
  106    HA   PRO  12           HA       PRO  12   0.962   8.984   4.282
  107   1HB   PRO  12          2HB       PRO  12   1.092   7.778   6.732
  108   2HB   PRO  12          1HB       PRO  12   1.780   9.382   6.404
  109   1HG   PRO  12          2HG       PRO  12  -0.758   8.652   7.762
  110   2HG   PRO  12          1HG       PRO  12   0.372   9.970   8.099
  111   1HD   PRO  12          2HD       PRO  12  -2.006  10.283   6.769
  112   2HD   PRO  12          1HD       PRO  12  -0.611  11.371   6.599
  113    HA   PRO  13           HA       PRO  13  -1.822   5.525   3.557
  114   1HB   PRO  13          2HB       PRO  13  -0.262   4.201   1.745
  115   2HB   PRO  13          1HB       PRO  13  -1.231   5.626   1.327
  116   1HG   PRO  13          2HG       PRO  13   1.678   5.378   1.720
  117   2HG   PRO  13          1HG       PRO  13   0.763   6.515   0.723
  118   1HD   PRO  13          2HD       PRO  13   1.918   7.036   3.231
  119   2HD   PRO  13          1HD       PRO  13   0.772   8.074   2.360
  120    H    SER  14           H        SER  14  -1.330   2.970   3.460
  121    HA   SER  14           HA       SER  14   0.994   2.039   4.955
  122   1HB   SER  14          2HB       SER  14  -0.306   3.216   6.700
  123   2HB   SER  14          1HB       SER  14  -1.707   2.217   6.327
  124    HG   SER  14           HG       SER  14  -0.662   1.253   8.019
  125    H    ALA  15           H        ALA  15   0.326   0.924   2.628
  126    HA   ALA  15           HA       ALA  15  -0.119  -1.125   1.632
  127   1HB   ALA  15          1HB       ALA  15  -1.174  -2.598   3.887
  128   2HB   ALA  15          2HB       ALA  15   0.247  -1.685   4.390
  129   3HB   ALA  15          3HB       ALA  15   0.359  -2.819   3.046
  130    H    PHE  16           H        PHE  16  -2.636  -1.301   4.189
  131    HA   PHE  16           HA       PHE  16  -4.771  -2.064   2.567
  132   1HB   PHE  16          2HB       PHE  16  -4.492  -1.706   5.131
  133   2HB   PHE  16          1HB       PHE  16  -5.070  -0.072   4.810
  134    HD1  PHE  16           1HD      PHE  16  -7.212   0.024   3.197
  135    HD2  PHE  16           2HD      PHE  16  -6.087  -3.333   5.630
  136    HE1  PHE  16           1HE      PHE  16  -9.546  -0.808   3.128
  137    HE2  PHE  16           2HE      PHE  16  -8.422  -4.165   5.561
  138    HZ   PHE  16           HZ       PHE  16 -10.152  -2.902   4.310
  139    H    PHE  17           H        PHE  17  -3.827   1.288   3.378
  140    HA   PHE  17           HA       PHE  17  -5.879   2.632   1.925
  141   1HB   PHE  17          2HB       PHE  17  -3.878   3.339   3.586
  142   2HB   PHE  17          1HB       PHE  17  -3.129   3.783   2.053
  143    HD1  PHE  17           1HD      PHE  17  -5.373   4.822   4.611
  144    HD2  PHE  17           2HD      PHE  17  -4.614   5.170   0.398
  145    HE1  PHE  17           1HE      PHE  17  -6.749   6.883   4.535
  146    HE2  PHE  17           2HE      PHE  17  -5.990   7.231   0.321
  147    HZ   PHE  17           HZ       PHE  17  -7.058   8.088   2.389
  148    H    LEU  18           H        LEU  18  -2.856   1.151   0.846
  149    HA   LEU  18           HA       LEU  18  -2.930   2.419  -1.800
  150   1HB   LEU  18          2HB       LEU  18  -1.309   0.033  -0.861
  151   2HB   LEU  18          1HB       LEU  18  -0.911   1.149  -2.161
  152    HG   LEU  18           HG       LEU  18  -0.988   1.792   0.806
  153   1HD1  LEU  18          1HD1      LEU  18   1.390   2.011   0.628
  154   2HD1  LEU  18          2HD1      LEU  18   1.334   1.896  -1.131
  155   3HD1  LEU  18          3HD1      LEU  18   0.974   0.480  -0.142
  156   1HD2  LEU  18          1HD2      LEU  18   0.119   3.972  -0.204
  157   2HD2  LEU  18          2HD2      LEU  18  -1.637   3.825  -0.158
  158   3HD2  LEU  18          3HD2      LEU  18  -0.765   3.507  -1.657
  159    H    PHE  19           H        PHE  19  -3.780  -0.726  -0.381
  160    HA   PHE  19           HA       PHE  19  -4.264  -2.079  -2.897
  161   1HB   PHE  19          2HB       PHE  19  -3.760  -3.099  -0.645
  162   2HB   PHE  19          1HB       PHE  19  -5.388  -2.646  -0.137
  163    HD1  PHE  19           1HD      PHE  19  -7.304  -3.893  -0.835
  164    HD2  PHE  19           2HD      PHE  19  -3.455  -4.693  -2.564
  165    HE1  PHE  19           1HE      PHE  19  -8.209  -5.940  -1.902
  166    HE2  PHE  19           2HE      PHE  19  -4.360  -6.741  -3.631
  167    HZ   PHE  19           HZ       PHE  19  -6.737  -7.363  -3.300
  168    H    CYS  20           H        CYS  20  -6.512  -0.751  -0.434
  169    HA   CYS  20           HA       CYS  20  -8.942  -1.237  -1.810
  170   1HB   CYS  20          2HB       CYS  20  -8.585  -0.480   0.567
  171   2HB   CYS  20          1HB       CYS  20  -8.239   1.135  -0.053
  172    HG   CYS  20           HG       CYS  20 -10.677   1.357  -0.844
  173    H    SER  21           H        SER  21  -7.072   1.823  -1.747
  174    HA   SER  21           HA       SER  21  -8.608   3.288  -3.614
  175   1HB   SER  21          2HB       SER  21  -6.687   4.018  -2.109
  176   2HB   SER  21          1HB       SER  21  -5.594   3.359  -3.321
  177    HG   SER  21           HG       SER  21  -7.463   5.471  -3.570
  178    H    GLU  22           H        GLU  22  -6.340   0.671  -4.183
  179    HA   GLU  22           HA       GLU  22  -6.243   1.250  -7.097
  180   1HB   GLU  22          2HB       GLU  22  -4.727  -0.354  -5.102
  181   2HB   GLU  22          1HB       GLU  22  -4.687  -0.894  -6.777
  182   1HG   GLU  22          2HG       GLU  22  -4.035   1.925  -5.870
  183   2HG   GLU  22          1HG       GLU  22  -2.828   0.685  -6.213
  184    H    TYR  23           H        TYR  23  -7.793  -0.906  -4.820
  185    HA   TYR  23           HA       TYR  23  -8.563  -2.798  -6.990
  186   1HB   TYR  23          2HB       TYR  23  -8.346  -2.797  -4.024
  187   2HB   TYR  23          1HB       TYR  23  -9.612  -3.813  -4.714
  188    HD1  TYR  23           1HD      TYR  23  -5.993  -2.968  -5.234
  189    HD2  TYR  23           2HD      TYR  23  -9.062  -5.966  -5.423
  190    HE1  TYR  23           1HE      TYR  23  -4.296  -4.666  -5.857
  191    HE2  TYR  23           2HE      TYR  23  -7.365  -7.664  -6.046
  192    HH   TYR  23           HH       TYR  23  -4.974  -8.027  -5.859
  193    H    ARG  24           H        ARG  24  -9.758   0.071  -6.269
  194    HA   ARG  24           HA       ARG  24 -12.566  -0.676  -5.772
  195   1HB   ARG  24          2HB       ARG  24 -10.952   1.849  -5.892
  196   2HB   ARG  24          1HB       ARG  24 -12.714   1.911  -5.969
  197   1HG   ARG  24          2HG       ARG  24 -12.972   0.942  -3.836
  198   2HG   ARG  24          1HG       ARG  24 -11.318   0.331  -3.818
  199   1HD   ARG  24          2HD       ARG  24 -10.700   2.207  -2.704
  200   2HD   ARG  24          1HD       ARG  24 -11.128   3.155  -4.141
  201    HE   ARG  24           HE       ARG  24 -13.010   2.526  -1.905
  202   1HH1  ARG  24          1HH1      ARG  24 -14.119   3.021  -4.731
  203   2HH1  ARG  24          2HH1      ARG  24 -14.512   4.705  -4.630
  204   1HH2  ARG  24          1HH2      ARG  24 -12.636   5.243  -1.764
  205   2HH2  ARG  24          2HH2      ARG  24 -13.672   5.963  -2.951
  206    HA   PRO  25           HA       PRO  25 -12.952   1.403 -10.106
  207   1HB   PRO  25          2HB       PRO  25 -10.782   1.270 -11.768
  208   2HB   PRO  25          1HB       PRO  25 -11.144   2.666 -10.734
  209   1HG   PRO  25          2HG       PRO  25  -9.197   0.461 -10.325
  210   2HG   PRO  25          1HG       PRO  25  -9.051   2.185  -9.949
  211   1HD   PRO  25          2HD       PRO  25  -9.572   0.284  -8.101
  212   2HD   PRO  25          1HD       PRO  25 -10.114   1.965  -7.927
  213    H    LYS  26           H        LYS  26 -11.182  -1.486  -9.382
  214    HA   LYS  26           HA       LYS  26 -11.747  -2.955 -11.827
  215   1HB   LYS  26          2HB       LYS  26  -9.992  -3.403 -10.012
  216   2HB   LYS  26          1HB       LYS  26 -11.323  -3.993  -9.011
  217   1HG   LYS  26          2HG       LYS  26 -10.983  -5.069 -11.796
  218   2HG   LYS  26          1HG       LYS  26  -9.960  -5.688 -10.499
  219   1HD   LYS  26          2HD       LYS  26 -12.176  -5.975  -9.177
  220   2HD   LYS  26          1HD       LYS  26 -12.960  -5.821 -10.750
  221   1HE   LYS  26          2HE       LYS  26 -11.117  -7.635 -11.442
  222   2HE   LYS  26          1HE       LYS  26 -11.226  -8.024  -9.713
  223   1HZ   LYS  26          1HZ       LYS  26 -13.607  -8.171  -9.895
  224   2HZ   LYS  26          2HZ       LYS  26 -12.907  -9.205 -11.048
  225   3HZ   LYS  26          3HZ       LYS  26 -13.559  -7.711 -11.527
  226    H    ILE  27           H        ILE  27 -13.164  -2.872  -8.561
  227    HA   ILE  27           HA       ILE  27 -15.328  -4.654  -8.890
  228    HB   ILE  27           HB       ILE  27 -15.265  -2.037  -7.346
  229   1HG1  ILE  27          2HG1      ILE  27 -13.284  -3.223  -6.680
  230   2HG1  ILE  27          1HG1      ILE  27 -14.480  -3.493  -5.424
  231   1HG2  ILE  27          1HG2      ILE  27 -16.741  -3.341  -5.770
  232   2HG2  ILE  27          2HG2      ILE  27 -16.840  -4.592  -7.010
  233   3HG2  ILE  27          3HG2      ILE  27 -17.463  -2.975  -7.338
  234   1HD1  ILE  27          1HD1      ILE  27 -15.076  -5.644  -6.707
  235   2HD1  ILE  27          2HD1      ILE  27 -13.558  -5.627  -5.810
  236   3HD1  ILE  27          3HD1      ILE  27 -13.551  -5.403  -7.559
  237    H    LYS  28           H        LYS  28 -14.966  -1.308  -9.891
  238    HA   LYS  28           HA       LYS  28 -17.781  -0.832 -10.389
  239   1HB   LYS  28          2HB       LYS  28 -15.618   0.709 -11.800
  240   2HB   LYS  28          1HB       LYS  28 -17.110   1.290 -11.079
  241   1HG   LYS  28          2HG       LYS  28 -14.529   0.574  -9.724
  242   2HG   LYS  28          1HG       LYS  28 -15.354   2.115  -9.706
  243   1HD   LYS  28          2HD       LYS  28 -16.217  -0.432  -8.290
  244   2HD   LYS  28          1HD       LYS  28 -15.631   1.052  -7.547
  245   1HE   LYS  28          2HE       LYS  28 -18.107   1.020  -9.302
  246   2HE   LYS  28          1HE       LYS  28 -18.178   0.761  -7.549
  247   1HZ   LYS  28          1HZ       LYS  28 -18.383   3.095  -7.954
  248   2HZ   LYS  28          2HZ       LYS  28 -17.016   3.100  -8.964
  249   3HZ   LYS  28          3HZ       LYS  28 -16.845   2.819  -7.297
  250    H    SER  29           H        SER  29 -15.077  -1.944 -12.384
  251    HA   SER  29           HA       SER  29 -16.330  -1.732 -14.947
  252   1HB   SER  29          2HB       SER  29 -13.900  -2.177 -14.356
  253   2HB   SER  29          1HB       SER  29 -14.365  -3.837 -13.998
  254    HG   SER  29           HG       SER  29 -14.488  -4.222 -16.062
  255    H    GLU  30           H        GLU  30 -16.753  -4.040 -12.342
  256    HA   GLU  30           HA       GLU  30 -18.496  -5.712 -14.124
  257   1HB   GLU  30          2HB       GLU  30 -16.441  -6.253 -12.070
  258   2HB   GLU  30          1HB       GLU  30 -17.886  -7.254 -11.940
  259   1HG   GLU  30          2HG       GLU  30 -16.443  -6.861 -14.566
  260   2HG   GLU  30          1HG       GLU  30 -16.011  -8.152 -13.444
  261    H    HIS  31           H        HIS  31 -18.414  -3.706 -11.297
  262    HA   HIS  31           HA       HIS  31 -21.218  -4.560 -10.649
  263   1HB   HIS  31          2HB       HIS  31 -19.132  -3.560  -8.681
  264   2HB   HIS  31          1HB       HIS  31 -20.711  -4.232  -8.301
  265    HD1  HIS  31           1HD      HIS  31 -17.225  -5.187  -9.101
  266    HD2  HIS  31           2HD      HIS  31 -20.908  -7.103  -8.744
  267    HE1  HIS  31           1HE      HIS  31 -16.729  -7.664  -8.969
  268    HA   PRO  32           HA       PRO  32 -21.287  -0.108 -11.655
  269   1HB   PRO  32          2HB       PRO  32 -23.837  -0.090 -12.645
  270   2HB   PRO  32          1HB       PRO  32 -22.425  -0.537 -13.615
  271   1HG   PRO  32          2HG       PRO  32 -24.477  -2.267 -12.364
  272   2HG   PRO  32          1HG       PRO  32 -23.593  -2.476 -13.883
  273   1HD   PRO  32          2HD       PRO  32 -23.023  -3.800 -11.533
  274   2HD   PRO  32          1HD       PRO  32 -21.881  -3.569 -12.872
  275    H    GLY  33           H        GLY  33 -23.775  -2.072 -10.074
  276   1HA   GLY  33          2HA       GLY  33 -25.012   0.167  -8.697
  277   2HA   GLY  33          1HA       GLY  33 -25.296  -1.540  -8.367
  278    H    LEU  34           H        LEU  34 -22.211  -1.790  -8.125
  279    HA   LEU  34           HA       LEU  34 -21.985  -1.806  -5.308
  280   1HB   LEU  34          2HB       LEU  34 -20.366  -2.241  -7.657
  281   2HB   LEU  34          1HB       LEU  34 -19.420  -1.349  -6.474
  282    HG   LEU  34           HG       LEU  34 -19.206  -3.823  -6.226
  283   1HD1  LEU  34          1HD1      LEU  34 -20.309  -2.068  -4.065
  284   2HD1  LEU  34          2HD1      LEU  34 -18.690  -2.744  -4.244
  285   3HD1  LEU  34          3HD1      LEU  34 -20.021  -3.774  -3.718
  286   1HD2  LEU  34          1HD2      LEU  34 -21.896  -3.904  -6.730
  287   2HD2  LEU  34          2HD2      LEU  34 -21.881  -4.061  -4.974
  288   3HD2  LEU  34          3HD2      LEU  34 -20.997  -5.217  -5.970
  289    H    SER  35           H        SER  35 -22.883   0.322  -4.656
  290    HA   SER  35           HA       SER  35 -21.550   2.814  -5.336
  291   1HB   SER  35          2HB       SER  35 -23.905   2.625  -4.599
  292   2HB   SER  35          1HB       SER  35 -23.369   2.022  -3.033
  293    HG   SER  35           HG       SER  35 -23.764   4.255  -2.950
  294    H    ILE  36           H        ILE  36 -20.671   4.183  -3.347
  295    HA   ILE  36           HA       ILE  36 -18.237   3.054  -2.422
  296    HB   ILE  36           HB       ILE  36 -19.964   5.290  -1.301
  297   1HG1  ILE  36          2HG1      ILE  36 -19.313   5.596  -3.666
  298   2HG1  ILE  36          1HG1      ILE  36 -18.471   6.747  -2.632
  299   1HG2  ILE  36          1HG2      ILE  36 -17.713   6.125  -0.433
  300   2HG2  ILE  36          2HG2      ILE  36 -17.085   4.513  -0.775
  301   3HG2  ILE  36          3HG2      ILE  36 -18.381   4.722   0.402
  302   1HD1  ILE  36          1HD1      ILE  36 -16.519   5.128  -2.584
  303   2HD1  ILE  36          2HD1      ILE  36 -16.841   5.850  -4.161
  304   3HD1  ILE  36          3HD1      ILE  36 -17.354   4.196  -3.828
  305    H    GLY  37           H        GLY  37 -21.474   2.953  -1.031
  306   1HA   GLY  37          2HA       GLY  37 -20.821   2.167   1.622
  307   2HA   GLY  37          1HA       GLY  37 -22.328   1.758   0.799
  308    H    ASP  38           H        ASP  38 -21.942  -0.007  -0.995
  309    HA   ASP  38           HA       ASP  38 -20.969  -2.393   0.341
  310   1HB   ASP  38          2HB       ASP  38 -22.316  -1.584  -2.165
  311   2HB   ASP  38          1HB       ASP  38 -21.342  -3.048  -2.306
  312    H    THR  39           H        THR  39 -19.629  -0.203  -2.090
  313    HA   THR  39           HA       THR  39 -17.445  -1.892  -2.949
  314    HB   THR  39           HB       THR  39 -17.782   1.127  -2.888
  315    HG1  THR  39           1HG      THR  39 -18.724   0.869  -4.812
  316   1HG2  THR  39          1HG2      THR  39 -15.867  -0.655  -4.420
  317   2HG2  THR  39          2HG2      THR  39 -15.443   0.561  -3.216
  318   3HG2  THR  39          3HG2      THR  39 -16.122   1.055  -4.767
  319    H    ALA  40           H        ALA  40 -17.895   0.354  -0.272
  320    HA   ALA  40           HA       ALA  40 -15.109   0.474   0.530
  321   1HB   ALA  40          1HB       ALA  40 -17.730   0.986   1.976
  322   2HB   ALA  40          2HB       ALA  40 -16.747   2.184   1.134
  323   3HB   ALA  40          3HB       ALA  40 -16.145   1.429   2.610
  324    H    LYS  41           H        LYS  41 -17.863  -1.593   1.383
  325    HA   LYS  41           HA       LYS  41 -16.194  -3.073   3.334
  326   1HB   LYS  41          2HB       LYS  41 -18.322  -4.038   4.034
  327   2HB   LYS  41          1HB       LYS  41 -18.476  -2.290   3.915
  328   1HG   LYS  41          2HG       LYS  41 -19.382  -2.680   1.552
  329   2HG   LYS  41          1HG       LYS  41 -19.485  -4.383   1.981
  330   1HD   LYS  41          2HD       LYS  41 -21.638  -3.368   2.425
  331   2HD   LYS  41          1HD       LYS  41 -20.873  -3.730   3.971
  332   1HE   LYS  41          2HE       LYS  41 -19.970  -1.139   3.345
  333   2HE   LYS  41          1HE       LYS  41 -21.688  -1.145   2.902
  334   1HZ   LYS  41          1HZ       LYS  41 -22.206  -2.145   5.039
  335   2HZ   LYS  41          2HZ       LYS  41 -21.400  -0.665   5.260
  336   3HZ   LYS  41          3HZ       LYS  41 -20.566  -2.131   5.473
  337    H    LYS  42           H        LYS  42 -17.150  -3.367   0.025
  338    HA   LYS  42           HA       LYS  42 -17.082  -6.313  -0.011
  339   1HB   LYS  42          2HB       LYS  42 -18.549  -4.893  -1.465
  340   2HB   LYS  42          1HB       LYS  42 -17.105  -4.258  -2.249
  341   1HG   LYS  42          2HG       LYS  42 -18.149  -6.095  -3.554
  342   2HG   LYS  42          1HG       LYS  42 -16.517  -6.506  -3.038
  343   1HD   LYS  42          2HD       LYS  42 -17.235  -8.174  -1.653
  344   2HD   LYS  42          1HD       LYS  42 -18.651  -7.261  -1.132
  345   1HE   LYS  42          2HE       LYS  42 -19.985  -8.178  -2.746
  346   2HE   LYS  42          1HE       LYS  42 -18.699  -8.132  -3.968
  347   1HZ   LYS  42          1HZ       LYS  42 -18.851 -10.018  -1.675
  348   2HZ   LYS  42          2HZ       LYS  42 -17.590  -9.950  -2.812
  349   3HZ   LYS  42          3HZ       LYS  42 -19.151 -10.412  -3.298
  350    H    LEU  43           H        LEU  43 -14.673  -4.108   0.407
  351    HA   LEU  43           HA       LEU  43 -12.736  -5.419  -1.445
  352   1HB   LEU  43          2HB       LEU  43 -12.920  -2.845   0.098
  353   2HB   LEU  43          1HB       LEU  43 -11.333  -3.440  -0.392
  354    HG   LEU  43           HG       LEU  43 -13.635  -3.165  -2.333
  355   1HD1  LEU  43          1HD1      LEU  43 -11.392  -1.193  -2.273
  356   2HD1  LEU  43          2HD1      LEU  43 -12.675  -1.008  -1.076
  357   3HD1  LEU  43          3HD1      LEU  43 -13.063  -0.978  -2.796
  358   1HD2  LEU  43          1HD2      LEU  43 -10.629  -3.463  -2.611
  359   2HD2  LEU  43          2HD2      LEU  43 -11.713  -3.125  -3.960
  360   3HD2  LEU  43          3HD2      LEU  43 -11.856  -4.643  -3.073
  361    H    GLY  44           H        GLY  44 -13.482  -4.844   1.959
  362   1HA   GLY  44          2HA       GLY  44 -11.058  -5.937   3.056
  363   2HA   GLY  44          1HA       GLY  44 -12.586  -5.769   3.925
  364    H    GLU  45           H        GLU  45 -14.060  -7.363   1.909
  365    HA   GLU  45           HA       GLU  45 -14.016  -9.925   3.069
  366   1HB   GLU  45          2HB       GLU  45 -15.561  -8.674   1.301
  367   2HB   GLU  45          1HB       GLU  45 -14.595  -9.592   0.145
  368   1HG   GLU  45          2HG       GLU  45 -15.908 -10.901   2.531
  369   2HG   GLU  45          1HG       GLU  45 -16.738 -10.723   0.985
  370    H    MET  46           H        MET  46 -12.202  -8.765   0.221
  371    HA   MET  46           HA       MET  46 -10.870 -11.374  -0.139
  372   1HB   MET  46          2HB       MET  46 -10.621  -8.652  -1.462
  373   2HB   MET  46          1HB       MET  46  -9.782 -10.102  -2.012
  374   1HG   MET  46          2HG       MET  46 -12.761 -10.169  -1.638
  375   2HG   MET  46          1HG       MET  46 -12.082  -9.460  -3.102
  376   1HE   MET  46          1HE       MET  46 -13.607 -11.821  -4.360
  377   2HE   MET  46          2HE       MET  46 -14.020 -11.673  -2.654
  378   3HE   MET  46          3HE       MET  46 -13.548 -13.240  -3.306
  379    H    TRP  47           H        TRP  47 -10.003  -8.055   0.853
  380    HA   TRP  47           HA       TRP  47  -7.215  -8.375   1.206
  381   1HB   TRP  47          2HB       TRP  47  -8.548  -6.263   1.327
  382   2HB   TRP  47          1HB       TRP  47  -9.162  -6.776   2.899
  383    HD1  TRP  47           HD       TRP  47  -7.803  -6.019   4.905
  384    HE1  TRP  47           1HE      TRP  47  -5.399  -5.174   5.296
  385    HE3  TRP  47           3HE      TRP  47  -5.901  -6.563   0.198
  386    HZ2  TRP  47           2HZ      TRP  47  -2.988  -4.778   3.808
  387    HZ3  TRP  47           3HZ      TRP  47  -3.550  -5.944  -0.288
  388    HH2  TRP  47           HH       TRP  47  -2.093  -5.054   1.509
  389    H    SER  48           H        SER  48  -9.855  -9.614   3.157
  390    HA   SER  48           HA       SER  48  -8.154 -10.180   5.494
  391   1HB   SER  48          2HB       SER  48 -10.595  -9.535   5.545
  392   2HB   SER  48          1HB       SER  48 -10.965 -11.085   4.795
  393    HG   SER  48           HG       SER  48 -10.255 -12.124   6.589
  394    H    GLU  49           H        GLU  49  -9.579 -11.923   2.752
  395    HA   GLU  49           HA       GLU  49  -8.964 -14.594   3.594
  396   1HB   GLU  49          2HB       GLU  49  -9.320 -13.233   0.910
  397   2HB   GLU  49          1HB       GLU  49  -9.105 -14.977   1.061
  398   1HG   GLU  49          2HG       GLU  49 -11.080 -15.126   2.501
  399   2HG   GLU  49          1HG       GLU  49 -11.281 -13.375   2.438
  400    H    GLN  50           H        GLN  50  -7.069 -12.108   1.942
  401    HA   GLN  50           HA       GLN  50  -4.855 -13.729   1.103
  402   1HB   GLN  50          2HB       GLN  50  -5.071 -10.814   1.924
  403   2HB   GLN  50          1HB       GLN  50  -3.694 -11.508   1.068
  404   1HG   GLN  50          2HG       GLN  50  -6.525 -11.705   0.021
  405   2HG   GLN  50          1HG       GLN  50  -5.448 -10.372  -0.398
  406   1HE2  GLN  50          1HE2      GLN  50  -6.531 -13.132  -1.729
  407   2HE2  GLN  50          2HE2      GLN  50  -5.148 -13.646  -2.568
  408    H    SER  51           H        SER  51  -2.827 -14.080   2.139
  409    HA   SER  51           HA       SER  51  -2.933 -13.981   5.124
  410   1HB   SER  51          2HB       SER  51  -1.290 -15.783   4.958
  411   2HB   SER  51          1HB       SER  51  -2.629 -16.143   3.871
  412    HG   SER  51           HG       SER  51  -0.008 -15.342   3.314
  413    H    ALA  52           H        ALA  52  -0.019 -14.279   5.331
  414    HA   ALA  52           HA       ALA  52   0.730 -11.443   5.151
  415   1HB   ALA  52          1HB       ALA  52   1.316 -12.765   7.103
  416   2HB   ALA  52          2HB       ALA  52   2.809 -12.361   6.255
  417   3HB   ALA  52          3HB       ALA  52   2.113 -13.973   6.096
  418    H    LYS  53           H        LYS  53   0.337 -12.109   2.566
  419    HA   LYS  53           HA       LYS  53   3.105 -12.440   1.467
  420   1HB   LYS  53          2HB       LYS  53   1.116 -14.328   1.372
  421   2HB   LYS  53          1HB       LYS  53   0.836 -13.459  -0.137
  422   1HG   LYS  53          2HG       LYS  53   3.249 -13.744  -0.707
  423   2HG   LYS  53          1HG       LYS  53   3.448 -14.713   0.754
  424   1HD   LYS  53          2HD       LYS  53   1.389 -16.048  -0.260
  425   2HD   LYS  53          1HD       LYS  53   1.992 -15.375  -1.775
  426   1HE   LYS  53          2HE       LYS  53   4.291 -16.266  -1.138
  427   2HE   LYS  53          1HE       LYS  53   3.489 -17.148   0.178
  428   1HZ   LYS  53          1HZ       LYS  53   2.798 -17.304  -2.709
  429   2HZ   LYS  53          2HZ       LYS  53   1.954 -18.087  -1.460
  430   3HZ   LYS  53          3HZ       LYS  53   3.563 -18.516  -1.802
  431    H    ASP  54           H        ASP  54  -0.248 -11.502   0.611
  432    HA   ASP  54           HA       ASP  54   0.492  -9.834  -1.620
  433   1HB   ASP  54          2HB       ASP  54  -1.753 -10.924  -0.988
  434   2HB   ASP  54          1HB       ASP  54  -1.970  -9.563   0.114
  435    H    LYS  55           H        LYS  55   0.307  -9.252   1.843
  436    HA   LYS  55           HA       LYS  55   0.331  -6.329   1.583
  437   1HB   LYS  55          2HB       LYS  55  -0.509  -8.057   3.471
  438   2HB   LYS  55          1HB       LYS  55   1.100  -7.718   4.102
  439   1HG   LYS  55          2HG       LYS  55   0.468  -5.219   3.672
  440   2HG   LYS  55          1HG       LYS  55  -1.191  -5.821   3.654
  441   1HD   LYS  55          2HD       LYS  55   0.658  -6.604   5.892
  442   2HD   LYS  55          1HD       LYS  55  -0.143  -5.033   5.925
  443   1HE   LYS  55          2HE       LYS  55  -2.330  -6.058   5.855
  444   2HE   LYS  55          1HE       LYS  55  -1.625  -7.657   5.545
  445   1HZ   LYS  55          1HZ       LYS  55  -1.140  -5.984   7.956
  446   2HZ   LYS  55          2HZ       LYS  55  -0.438  -7.500   7.647
  447   3HZ   LYS  55          3HZ       LYS  55  -2.113  -7.372   7.902
  448    H    GLN  56           H        GLN  56   2.694  -8.893   2.285
  449    HA   GLN  56           HA       GLN  56   4.917  -7.563   3.220
  450   1HB   GLN  56          2HB       GLN  56   4.366  -9.864   1.458
  451   2HB   GLN  56          1HB       GLN  56   6.008  -9.235   1.340
  452   1HG   GLN  56          2HG       GLN  56   5.958  -9.261   3.943
  453   2HG   GLN  56          1HG       GLN  56   4.589 -10.356   3.748
  454   1HE2  GLN  56          1HE2      GLN  56   5.155 -12.133   1.887
  455   2HE2  GLN  56          2HE2      GLN  56   6.666 -12.878   2.091
  456    HA   PRO  57           HA       PRO  57   6.313  -6.031  -1.064
  457   1HB   PRO  57          2HB       PRO  57   4.681  -6.316  -3.223
  458   2HB   PRO  57          1HB       PRO  57   5.826  -7.571  -2.708
  459   1HG   PRO  57          2HG       PRO  57   2.898  -7.408  -2.321
  460   2HG   PRO  57          1HG       PRO  57   3.918  -8.823  -2.604
  461   1HD   PRO  57          2HD       PRO  57   2.900  -8.065  -0.151
  462   2HD   PRO  57          1HD       PRO  57   4.312  -9.116  -0.387
  463    H    TYR  58           H        TYR  58   2.776  -5.741  -0.712
  464    HA   TYR  58           HA       TYR  58   2.728  -3.009  -1.786
  465   1HB   TYR  58          2HB       TYR  58   0.973  -5.162  -1.458
  466   2HB   TYR  58          1HB       TYR  58   0.361  -3.945  -0.341
  467    HD1  TYR  58           1HD      TYR  58  -0.524  -1.826  -1.146
  468    HD2  TYR  58           2HD      TYR  58   1.126  -4.706  -3.872
  469    HE1  TYR  58           1HE      TYR  58  -1.507  -0.584  -3.056
  470    HE2  TYR  58           2HE      TYR  58   0.145  -3.464  -5.780
  471    HH   TYR  58           HH       TYR  58  -0.596  -1.101  -6.247
  472    H    GLU  59           H        GLU  59   3.363  -4.309   1.329
  473    HA   GLU  59           HA       GLU  59   2.197  -2.067   2.834
  474   1HB   GLU  59          2HB       GLU  59   3.033  -3.310   4.755
  475   2HB   GLU  59          1HB       GLU  59   2.308  -4.443   3.624
  476   1HG   GLU  59          2HG       GLU  59   4.265  -5.585   3.900
  477   2HG   GLU  59          1HG       GLU  59   4.878  -4.426   2.721
  478    H    GLN  60           H        GLN  60   5.328  -2.922   1.497
  479    HA   GLN  60           HA       GLN  60   6.871  -1.022   3.070
  480   1HB   GLN  60          2HB       GLN  60   8.633  -1.609   1.415
  481   2HB   GLN  60          1HB       GLN  60   7.833  -3.041   2.061
  482   1HG   GLN  60          2HG       GLN  60   6.616  -3.404   0.081
  483   2HG   GLN  60          1HG       GLN  60   6.858  -1.752  -0.485
  484   1HE2  GLN  60          1HE2      GLN  60   8.569  -4.850   0.052
  485   2HE2  GLN  60          2HE2      GLN  60   9.825  -4.530  -1.044
  486    H    LYS  61           H        LYS  61   4.848  -0.748   0.263
  487    HA   LYS  61           HA       LYS  61   6.086   1.496  -1.039
  488   1HB   LYS  61          2HB       LYS  61   4.386   0.054  -2.069
  489   2HB   LYS  61          1HB       LYS  61   3.205   0.539  -0.853
  490   1HG   LYS  61          2HG       LYS  61   3.075   2.751  -1.701
  491   2HG   LYS  61          1HG       LYS  61   4.546   2.559  -2.656
  492   1HD   LYS  61          2HD       LYS  61   3.227   0.646  -3.850
  493   2HD   LYS  61          1HD       LYS  61   1.802   1.435  -3.169
  494   1HE   LYS  61          2HE       LYS  61   2.324   3.514  -4.301
  495   2HE   LYS  61          1HE       LYS  61   3.890   2.878  -4.839
  496   1HZ   LYS  61          1HZ       LYS  61   2.133   2.660  -6.543
  497   2HZ   LYS  61          2HZ       LYS  61   1.265   1.650  -5.490
  498   3HZ   LYS  61          3HZ       LYS  61   2.784   1.166  -6.076
  499    H    ALA  62           H        ALA  62   3.560   1.310   1.490
  500    HA   ALA  62           HA       ALA  62   3.293   4.207   1.691
  501   1HB   ALA  62          1HB       ALA  62   2.305   1.752   3.094
  502   2HB   ALA  62          2HB       ALA  62   1.383   3.050   2.336
  503   3HB   ALA  62          3HB       ALA  62   2.136   3.307   3.911
  504    H    ALA  63           H        ALA  63   5.587   1.926   2.869
  505    HA   ALA  63           HA       ALA  63   6.268   3.006   5.414
  506   1HB   ALA  63          1HB       ALA  63   8.376   1.807   5.033
  507   2HB   ALA  63          2HB       ALA  63   8.047   1.742   3.301
  508   3HB   ALA  63          3HB       ALA  63   7.030   0.842   4.427
  509    H    LYS  64           H        LYS  64   7.405   3.894   2.115
  510    HA   LYS  64           HA       LYS  64   9.333   5.848   3.036
  511   1HB   LYS  64          2HB       LYS  64   7.825   5.516   0.418
  512   2HB   LYS  64          1HB       LYS  64   9.258   6.521   0.639
  513   1HG   LYS  64          2HG       LYS  64   9.247   3.575   1.312
  514   2HG   LYS  64          1HG       LYS  64   9.657   4.167  -0.299
  515   1HD   LYS  64          2HD       LYS  64  11.338   5.716   0.895
  516   2HD   LYS  64          1HD       LYS  64  11.097   4.682   2.304
  517   1HE   LYS  64          2HE       LYS  64  11.759   3.467  -0.381
  518   2HE   LYS  64          1HE       LYS  64  13.042   4.067   0.689
  519   1HZ   LYS  64          1HZ       LYS  64  10.904   2.148   1.454
  520   2HZ   LYS  64          2HZ       LYS  64  12.111   2.746   2.490
  521   3HZ   LYS  64          3HZ       LYS  64  12.530   1.751   1.177
  522    H    LEU  65           H        LEU  65   6.211   6.361   1.356
  523    HA   LEU  65           HA       LEU  65   5.866   9.089   1.678
  524   1HB   LEU  65          2HB       LEU  65   4.056   6.710   1.614
  525   2HB   LEU  65          1HB       LEU  65   3.341   8.290   1.941
  526    HG   LEU  65           HG       LEU  65   4.844   9.013  -0.129
  527   1HD1  LEU  65          1HD1      LEU  65   5.958   6.968  -0.592
  528   2HD1  LEU  65          2HD1      LEU  65   4.688   7.068  -1.812
  529   3HD1  LEU  65          3HD1      LEU  65   4.478   6.027  -0.404
  530   1HD2  LEU  65          1HD2      LEU  65   2.892   8.850  -1.490
  531   2HD2  LEU  65          2HD2      LEU  65   2.291   8.987   0.163
  532   3HD2  LEU  65          3HD2      LEU  65   2.325   7.415  -0.634
  533    H    LYS  66           H        LYS  66   5.658   6.699   4.251
  534    HA   LYS  66           HA       LYS  66   4.183   8.332   6.146
  535   1HB   LYS  66          2HB       LYS  66   4.477   5.830   6.171
  536   2HB   LYS  66          1HB       LYS  66   6.161   6.079   6.623
  537   1HG   LYS  66          2HG       LYS  66   5.041   5.754   8.687
  538   2HG   LYS  66          1HG       LYS  66   5.241   7.501   8.566
  539   1HD   LYS  66          2HD       LYS  66   2.990   7.866   8.106
  540   2HD   LYS  66          1HD       LYS  66   2.757   6.245   7.448
  541   1HE   LYS  66          2HE       LYS  66   3.262   5.433   9.880
  542   2HE   LYS  66          1HE       LYS  66   2.875   7.104  10.337
  543   1HZ   LYS  66          1HZ       LYS  66   0.801   6.939   9.136
  544   2HZ   LYS  66          2HZ       LYS  66   0.886   5.690  10.284
  545   3HZ   LYS  66          3HZ       LYS  66   1.167   5.360   8.642
  546    H    GLU  67           H        GLU  67   7.643   7.631   5.621
  547    HA   GLU  67           HA       GLU  67   8.647   9.291   7.748
  548   1HB   GLU  67          2HB       GLU  67   9.724   7.412   6.269
  549   2HB   GLU  67          1HB       GLU  67  10.099   8.736   5.165
  550   1HG   GLU  67          2HG       GLU  67  11.198   9.941   7.066
  551   2HG   GLU  67          1HG       GLU  67  10.934   8.515   8.070
  552    H    LYS  68           H        LYS  68   8.605   9.883   4.205
  553    HA   LYS  68           HA       LYS  68   9.441  12.584   4.231
  554   1HB   LYS  68          2HB       LYS  68   7.728  10.868   2.447
  555   2HB   LYS  68          1HB       LYS  68   7.942  12.578   2.067
  556   1HG   LYS  68          2HG       LYS  68  10.432  12.223   2.222
  557   2HG   LYS  68          1HG       LYS  68  10.119  10.494   2.373
  558   1HD   LYS  68          2HD       LYS  68   9.273  10.324   0.192
  559   2HD   LYS  68          1HD       LYS  68   8.933  12.052   0.088
  560   1HE   LYS  68          2HE       LYS  68  11.475  12.411   0.254
  561   2HE   LYS  68          1HE       LYS  68  11.623  10.672  -0.071
  562   1HZ   LYS  68          1HZ       LYS  68  10.090  12.605  -1.730
  563   2HZ   LYS  68          2HZ       LYS  68  10.254  10.942  -2.034
  564   3HZ   LYS  68          3HZ       LYS  68  11.608  11.965  -2.132
  565    H    TYR  69           H        TYR  69   6.322  11.208   5.056
  566    HA   TYR  69           HA       TYR  69   4.829  13.715   4.880
  567   1HB   TYR  69          2HB       TYR  69   3.766  11.529   4.582
  568   2HB   TYR  69          1HB       TYR  69   4.311  11.012   6.175
  569    HD1  TYR  69           1HD      TYR  69   1.867  13.014   4.318
  570    HD2  TYR  69           2HD      TYR  69   3.324  11.989   8.225
  571    HE1  TYR  69           1HE      TYR  69  -0.181  13.975   5.335
  572    HE2  TYR  69           2HE      TYR  69   1.277  12.947   9.241
  573    HH   TYR  69           HH       TYR  69  -1.484  13.641   7.506
  574    H    GLU  70           H        GLU  70   5.511  11.618   7.695
  575    HA   GLU  70           HA       GLU  70   4.992  13.564   9.697
  576   1HB   GLU  70          2HB       GLU  70   6.777  11.117   9.609
  577   2HB   GLU  70          1HB       GLU  70   6.388  11.978  11.099
  578   1HG   GLU  70          2HG       GLU  70   3.942  11.654  10.540
  579   2HG   GLU  70          1HG       GLU  70   4.453  10.593   9.227
  580    H    LYS  71           H        LYS  71   7.837  13.149   7.692
  581    HA   LYS  71           HA       LYS  71   9.515  14.816   9.484
  582   1HB   LYS  71          2HB       LYS  71   9.964  13.348   6.873
  583   2HB   LYS  71          1HB       LYS  71  11.219  14.282   7.687
  584   1HG   LYS  71          2HG       LYS  71  10.452  12.819   9.778
  585   2HG   LYS  71          1HG       LYS  71   9.945  11.706   8.507
  586   1HD   LYS  71          2HD       LYS  71  12.205  11.752   7.541
  587   2HD   LYS  71          1HD       LYS  71  12.721  12.898   8.778
  588   1HE   LYS  71          2HE       LYS  71  11.785  11.015  10.423
  589   2HE   LYS  71          1HE       LYS  71  12.154   9.971   9.035
  590   1HZ   LYS  71          1HZ       LYS  71  13.994  11.887  10.365
  591   2HZ   LYS  71          2HZ       LYS  71  14.348  11.083   8.910
  592   3HZ   LYS  71          3HZ       LYS  71  14.131  10.197  10.344
  593    H    ASP  72           H        ASP  72   7.528  15.223   6.645
  594    HA   ASP  72           HA       ASP  72   8.823  17.866   6.082
  595   1HB   ASP  72          2HB       ASP  72   8.603  16.013   4.333
  596   2HB   ASP  72          1HB       ASP  72   6.866  16.319   4.372
  597    H    ILE  73           H        ILE  73   5.801  16.318   7.012
  598    HA   ILE  73           HA       ILE  73   4.046  18.541   6.498
  599    HB   ILE  73           HB       ILE  73   3.421  16.139   6.864
  600   1HG1  ILE  73          2HG1      ILE  73   1.502  16.741   8.537
  601   2HG1  ILE  73          1HG1      ILE  73   2.176  18.370   8.452
  602   1HG2  ILE  73          1HG2      ILE  73   3.494  15.121   8.981
  603   2HG2  ILE  73          2HG2      ILE  73   3.664  16.663   9.820
  604   3HG2  ILE  73          3HG2      ILE  73   5.023  15.999   8.915
  605   1HD1  ILE  73          1HD1      ILE  73   2.007  18.255   5.955
  606   2HD1  ILE  73          2HD1      ILE  73   0.440  18.157   6.758
  607   3HD1  ILE  73          3HD1      ILE  73   1.197  16.698   6.120
  608    H    ALA  74           H        ALA  74   6.085  17.672   9.258
  609    HA   ALA  74           HA       ALA  74   5.041  19.473  11.207
  610   1HB   ALA  74          1HB       ALA  74   6.696  17.611  11.534
  611   2HB   ALA  74          2HB       ALA  74   7.211  19.126  12.277
  612   3HB   ALA  74          3HB       ALA  74   7.916  18.610  10.744
  613    H    ALA  75           H        ALA  75   7.840  19.934   9.016
  614    HA   ALA  75           HA       ALA  75   8.146  22.749   9.655
  615   1HB   ALA  75          1HB       ALA  75   9.783  22.646   7.818
  616   2HB   ALA  75          2HB       ALA  75   9.117  21.098   7.297
  617   3HB   ALA  75          3HB       ALA  75   9.941  21.225   8.851
  618    H    TYR  76           H        TYR  76   6.091  20.986   7.467
  619    HA   TYR  76           HA       TYR  76   5.672  23.063   5.495
  620   1HB   TYR  76          2HB       TYR  76   5.211  20.622   5.220
  621   2HB   TYR  76          1HB       TYR  76   3.893  20.765   6.383
  622    HD1  TYR  76           1HD      TYR  76   1.776  21.691   5.759
  623    HD2  TYR  76           2HD      TYR  76   5.108  21.892   3.055
  624    HE1  TYR  76           1HE      TYR  76   0.259  22.441   3.945
  625    HE2  TYR  76           2HE      TYR  76   3.591  22.642   1.242
  626    HH   TYR  76           HH       TYR  76   1.096  23.953   1.359
  627    H    ARG  77           H        ARG  77   3.993  22.136   8.499
  628    HA   ARG  77           HA       ARG  77   1.884  24.125   8.202
  629   1HB   ARG  77          2HB       ARG  77   2.878  22.242  10.334
  630   2HB   ARG  77          1HB       ARG  77   1.638  23.436  10.720
  631   1HG   ARG  77          2HG       ARG  77   0.130  22.543   9.103
  632   2HG   ARG  77          1HG       ARG  77   1.397  21.569   8.355
  633   1HD   ARG  77          2HD       ARG  77   1.304  19.943   9.995
  634   2HD   ARG  77          1HD       ARG  77   0.843  21.101  11.258
  635    HE   ARG  77           HE       ARG  77  -1.020  20.062   9.161
  636   1HH1  ARG  77          1HH2      ARG  77  -1.315  19.232  12.028
  637   2HH1  ARG  77          2HH2      ARG  77  -2.528  20.328  12.598
  638   1HH2  ARG  77          1HH1      ARG  77  -2.170  22.525   9.940
  639   2HH2  ARG  77          2HH1      ARG  77  -3.012  22.193  11.417
  640    H    ALA  78           H        ALA  78   3.938  23.974  11.111
  641    HA   ALA  78           HA       ALA  78   5.276  26.509  10.671
  642   1HB   ALA  78          1HB       ALA  78   3.171  27.538  10.934
  643   2HB   ALA  78          2HB       ALA  78   3.833  27.598  12.567
  644   3HB   ALA  78          3HB       ALA  78   2.647  26.365  12.141
  645    H    LYS  79           H        LYS  79   5.975  23.866  11.646
  646    HA   LYS  79           HA       LYS  79   6.294  24.074  14.567
  647   1HB   LYS  79          2HB       LYS  79   7.026  22.096  12.423
  648   2HB   LYS  79          1HB       LYS  79   7.518  21.867  14.097
  649   1HG   LYS  79          2HG       LYS  79   4.648  22.302  13.226
  650   2HG   LYS  79          1HG       LYS  79   5.359  20.712  13.506
  651   1HD   LYS  79          2HD       LYS  79   6.062  21.782  15.820
  652   2HD   LYS  79          1HD       LYS  79   4.721  22.877  15.479
  653   1HE   LYS  79          2HE       LYS  79   3.414  20.639  14.948
  654   2HE   LYS  79          1HE       LYS  79   4.659  19.917  15.987
  655   1HZ   LYS  79          1HZ       LYS  79   2.710  20.765  17.238
  656   2HZ   LYS  79          2HZ       LYS  79   3.084  22.333  16.701
  657   3HZ   LYS  79          3HZ       LYS  79   4.172  21.491  17.699
  Start of MODEL   13
    1   1H    MET   1          1HT       MET   1 -11.931  19.181  -0.983
    2   2H    MET   1          2HT       MET   1 -13.553  19.206  -1.487
    3   3H    MET   1          3HT       MET   1 -12.785  17.726  -1.159
    4    HA   MET   1           HA       MET   1 -13.443  19.841   0.832
    5   1HB   MET   1          2HB       MET   1 -15.187  18.262  -0.320
    6   2HB   MET   1          1HB       MET   1 -14.456  17.008   0.682
    7   1HG   MET   1          2HG       MET   1 -15.087  18.068   2.688
    8   2HG   MET   1          1HG       MET   1 -15.344  19.621   1.891
    9   1HE   MET   1          1HE       MET   1 -17.868  18.900   3.715
   10   2HE   MET   1          2HE       MET   1 -18.892  19.568   2.446
   11   3HE   MET   1          3HE       MET   1 -17.281  20.230   2.707
   12    H    LYS   2           H        LYS   2 -12.564  16.370   0.588
   13    HA   LYS   2           HA       LYS   2 -10.798  16.730   2.981
   14   1HB   LYS   2          2HB       LYS   2 -12.482  14.523   1.833
   15   2HB   LYS   2          1HB       LYS   2 -11.111  14.104   2.860
   16   1HG   LYS   2          2HG       LYS   2 -12.742  14.335   4.482
   17   2HG   LYS   2          1HG       LYS   2 -12.156  15.998   4.415
   18   1HD   LYS   2          2HD       LYS   2 -14.420  16.389   4.169
   19   2HD   LYS   2          1HD       LYS   2 -13.981  16.174   2.474
   20   1HE   LYS   2          2HE       LYS   2 -14.430  13.573   3.291
   21   2HE   LYS   2          1HE       LYS   2 -15.651  14.486   4.201
   22   1HZ   LYS   2          1HZ       LYS   2 -15.139  14.644   1.278
   23   2HZ   LYS   2          2HZ       LYS   2 -16.207  15.659   2.124
   24   3HZ   LYS   2          3HZ       LYS   2 -16.514  13.991   2.024
   25    H    LYS   3           H        LYS   3  -8.962  17.467   1.693
   26    HA   LYS   3           HA       LYS   3  -7.288  15.329   0.698
   27   1HB   LYS   3          2HB       LYS   3  -9.159  16.169  -1.079
   28   2HB   LYS   3          1HB       LYS   3  -7.865  17.311  -1.441
   29   1HG   LYS   3          2HG       LYS   3  -6.386  15.090  -1.351
   30   2HG   LYS   3          1HG       LYS   3  -7.926  14.345  -1.783
   31   1HD   LYS   3          2HD       LYS   3  -8.065  15.497  -3.814
   32   2HD   LYS   3          1HD       LYS   3  -6.974  16.775  -3.276
   33   1HE   LYS   3          2HE       LYS   3  -5.148  14.954  -3.186
   34   2HE   LYS   3          1HE       LYS   3  -6.270  13.962  -4.140
   35   1HZ   LYS   3          1HZ       LYS   3  -4.804  15.325  -5.550
   36   2HZ   LYS   3          2HZ       LYS   3  -5.436  16.730  -4.835
   37   3HZ   LYS   3          3HZ       LYS   3  -6.440  15.718  -5.759
   38    H    LYS   4           H        LYS   4  -5.707  17.063  -1.037
   39    HA   LYS   4           HA       LYS   4  -5.024  19.487   0.396
   40   1HB   LYS   4          2HB       LYS   4  -4.138  17.136   1.505
   41   2HB   LYS   4          1HB       LYS   4  -2.776  17.570   0.474
   42   1HG   LYS   4          2HG       LYS   4  -2.803  19.859   1.500
   43   2HG   LYS   4          1HG       LYS   4  -4.047  19.295   2.618
   44   1HD   LYS   4          2HD       LYS   4  -2.287  17.344   3.039
   45   2HD   LYS   4          1HD       LYS   4  -1.148  18.570   2.484
   46   1HE   LYS   4          2HE       LYS   4  -1.192  19.097   4.747
   47   2HE   LYS   4          1HE       LYS   4  -2.566  20.083   4.206
   48   1HZ   LYS   4          1HZ       LYS   4  -2.753  17.265   5.129
   49   2HZ   LYS   4          2HZ       LYS   4  -4.052  18.260   4.668
   50   3HZ   LYS   4          3HZ       LYS   4  -3.160  18.616   6.070
   51    H    ASP   5           H        ASP   5  -2.192  19.324  -0.452
   52    HA   ASP   5           HA       ASP   5  -2.607  19.620  -3.403
   53   1HB   ASP   5          2HB       ASP   5  -1.200  21.072  -1.264
   54   2HB   ASP   5          1HB       ASP   5  -0.225  20.850  -2.717
   55    HA   PRO   6           HA       PRO   6   0.339  16.439  -4.199
   56   1HB   PRO   6          2HB       PRO   6   1.894  17.454  -6.208
   57   2HB   PRO   6          1HB       PRO   6   0.218  16.928  -6.458
   58   1HG   PRO   6          2HG       PRO   6   1.309  19.676  -6.116
   59   2HG   PRO   6          1HG       PRO   6   0.020  19.096  -7.183
   60   1HD   PRO   6          2HD       PRO   6  -0.444  20.409  -4.840
   61   2HD   PRO   6          1HD       PRO   6  -1.576  19.238  -5.550
   62    H    ASN   7           H        ASN   7   1.654  19.666  -3.659
   63    HA   ASN   7           HA       ASN   7   4.378  18.759  -3.110
   64   1HB   ASN   7          2HB       ASN   7   2.859  21.342  -2.643
   65   2HB   ASN   7          1HB       ASN   7   4.594  21.162  -2.381
   66   1HD2  ASN   7          1HD2      ASN   7   5.974  21.088  -4.242
   67   2HD2  ASN   7          2HD2      ASN   7   5.397  21.304  -5.823
   68    H    ALA   8           H        ALA   8   1.445  18.886  -1.266
   69    HA   ALA   8           HA       ALA   8   2.931  18.889   1.319
   70   1HB   ALA   8          1HB       ALA   8   0.723  19.328   2.264
   71   2HB   ALA   8          2HB       ALA   8  -0.041  18.986   0.711
   72   3HB   ALA   8          3HB       ALA   8   0.978  20.413   0.897
   73    HA   PRO   9           HA       PRO   9   2.399  14.437   1.187
   74   1HB   PRO   9          2HB       PRO   9   3.287  13.870   3.711
   75   2HB   PRO   9          1HB       PRO   9   4.379  14.242   2.361
   76   1HG   PRO   9          2HG       PRO   9   3.437  16.004   4.572
   77   2HG   PRO   9          1HG       PRO   9   5.043  15.879   3.835
   78   1HD   PRO   9          2HD       PRO   9   3.287  17.867   3.243
   79   2HD   PRO   9          1HD       PRO   9   4.488  17.256   2.084
   80    H    LYS  10           H        LYS  10   0.159  14.119   1.197
   81    HA   LYS  10           HA       LYS  10  -1.679  14.911   3.210
   82   1HB   LYS  10          2HB       LYS  10  -3.140  13.216   2.113
   83   2HB   LYS  10          1HB       LYS  10  -2.291  14.215   0.937
   84   1HG   LYS  10          2HG       LYS  10  -0.644  11.940   1.601
   85   2HG   LYS  10          1HG       LYS  10  -2.254  11.377   1.157
   86   1HD   LYS  10          2HD       LYS  10  -2.154  12.600  -0.946
   87   2HD   LYS  10          1HD       LYS  10  -0.606  13.315  -0.493
   88   1HE   LYS  10          2HE       LYS  10   0.265  10.894  -0.289
   89   2HE   LYS  10          1HE       LYS  10  -1.198  10.430  -1.182
   90   1HZ   LYS  10          1HZ       LYS  10  -0.641  11.959  -2.919
   91   2HZ   LYS  10          2HZ       LYS  10   0.709  10.962  -2.648
   92   3HZ   LYS  10          3HZ       LYS  10   0.689  12.553  -2.052
   93    H    ARG  11           H        ARG  11  -3.063  12.643   4.028
   94    HA   ARG  11           HA       ARG  11  -1.745  11.825   6.395
   95   1HB   ARG  11          2HB       ARG  11  -4.069  10.934   4.740
   96   2HB   ARG  11          1HB       ARG  11  -3.517   9.845   6.014
   97   1HG   ARG  11          2HG       ARG  11  -5.174  11.271   7.006
   98   2HG   ARG  11          1HG       ARG  11  -3.609  11.835   7.595
   99   1HD   ARG  11          2HD       ARG  11  -3.590  13.673   6.027
  100   2HD   ARG  11          1HD       ARG  11  -5.020  13.037   5.188
  101    HE   ARG  11           HE       ARG  11  -5.334  13.566   8.079
  102   1HH1  ARG  11          1HH2      ARG  11  -7.681  13.324   6.289
  103   2HH1  ARG  11          2HH2      ARG  11  -8.115  14.977   6.001
  104   1HH2  ARG  11          1HH1      ARG  11  -5.069  16.240   7.077
  105   2HH2  ARG  11          2HH1      ARG  11  -6.636  16.627   6.448
  106    HA   PRO  12           HA       PRO  12   0.982   8.692   4.870
  107   1HB   PRO  12          2HB       PRO  12   1.495   7.349   7.192
  108   2HB   PRO  12          1HB       PRO  12   2.175   8.947   6.830
  109   1HG   PRO  12          2HG       PRO  12  -0.046   8.206   8.633
  110   2HG   PRO  12          1HG       PRO  12   1.117   9.532   8.749
  111   1HD   PRO  12          2HD       PRO  12  -1.522   9.755   7.891
  112   2HD   PRO  12          1HD       PRO  12  -0.240  10.955   7.632
  113    HA   PRO  13           HA       PRO  13  -2.020   5.366   4.489
  114   1HB   PRO  13          2HB       PRO  13  -0.821   4.043   2.424
  115   2HB   PRO  13          1HB       PRO  13  -1.766   5.527   2.201
  116   1HG   PRO  13          2HG       PRO  13   1.152   5.126   2.139
  117   2HG   PRO  13          1HG       PRO  13   0.158   6.341   1.326
  118   1HD   PRO  13          2HD       PRO  13   1.702   6.713   3.646
  119   2HD   PRO  13          1HD       PRO  13   0.495   7.835   2.987
  120    H    SER  14           H        SER  14  -1.721   2.813   4.281
  121    HA   SER  14           HA       SER  14   0.764   1.761   5.457
  122   1HB   SER  14          2HB       SER  14  -0.575   2.831   7.316
  123   2HB   SER  14          1HB       SER  14  -1.847   1.656   6.994
  124    HG   SER  14           HG       SER  14   0.706   1.311   8.085
  125    H    ALA  15           H        ALA  15   0.005   0.840   3.094
  126    HA   ALA  15           HA       ALA  15  -0.525  -1.103   1.926
  127   1HB   ALA  15          1HB       ALA  15   0.015  -1.900   4.602
  128   2HB   ALA  15          2HB       ALA  15   0.058  -2.909   3.158
  129   3HB   ALA  15          3HB       ALA  15  -1.427  -2.783   4.099
  130    H    PHE  16           H        PHE  16  -2.825  -1.484   4.641
  131    HA   PHE  16           HA       PHE  16  -5.106  -2.082   3.122
  132   1HB   PHE  16          2HB       PHE  16  -4.655  -2.084   5.643
  133   2HB   PHE  16          1HB       PHE  16  -5.087  -0.376   5.612
  134    HD1  PHE  16           1HD      PHE  16  -7.281   0.072   6.229
  135    HD2  PHE  16           2HD      PHE  16  -6.414  -3.545   4.081
  136    HE1  PHE  16           1HE      PHE  16  -9.686  -0.529   6.269
  137    HE2  PHE  16           2HE      PHE  16  -8.819  -4.147   4.122
  138    HZ   PHE  16           HZ       PHE  16 -10.456  -2.638   5.216
  139    H    PHE  17           H        PHE  17  -3.926   1.131   4.133
  140    HA   PHE  17           HA       PHE  17  -6.095   2.675   3.074
  141   1HB   PHE  17          2HB       PHE  17  -4.089   3.256   4.651
  142   2HB   PHE  17          1HB       PHE  17  -3.215   3.576   3.152
  143    HD1  PHE  17           1HD      PHE  17  -4.221   5.225   1.481
  144    HD2  PHE  17           2HD      PHE  17  -5.625   4.834   5.521
  145    HE1  PHE  17           1HE      PHE  17  -5.308   7.448   1.319
  146    HE2  PHE  17           2HE      PHE  17  -6.712   7.056   5.360
  147    HZ   PHE  17           HZ       PHE  17  -6.553   8.364   3.258
  148    H    LEU  18           H        LEU  18  -3.231   1.231   1.596
  149    HA   LEU  18           HA       LEU  18  -3.472   2.709  -0.912
  150   1HB   LEU  18          2HB       LEU  18  -1.946   0.165  -0.265
  151   2HB   LEU  18          1HB       LEU  18  -1.609   1.297  -1.569
  152    HG   LEU  18           HG       LEU  18  -1.374   1.878   1.404
  153   1HD1  LEU  18          1HD1      LEU  18   0.504   0.591   0.835
  154   2HD1  LEU  18          2HD1      LEU  18   1.077   2.241   0.596
  155   3HD1  LEU  18          3HD1      LEU  18   0.593   1.266  -0.792
  156   1HD2  LEU  18          1HD2      LEU  18  -0.273   4.007   0.501
  157   2HD2  LEU  18          2HD2      LEU  18  -2.024   3.917   0.315
  158   3HD2  LEU  18          3HD2      LEU  18  -0.973   3.594  -1.064
  159    H    PHE  19           H        PHE  19  -4.292  -0.575   0.260
  160    HA   PHE  19           HA       PHE  19  -5.128  -1.658  -2.258
  161   1HB   PHE  19          2HB       PHE  19  -4.635  -2.772   0.024
  162   2HB   PHE  19          1HB       PHE  19  -6.287  -2.329   0.454
  163    HD1  PHE  19           1HD      PHE  19  -4.215  -4.285  -1.924
  164    HD2  PHE  19           2HD      PHE  19  -8.174  -3.484  -0.465
  165    HE1  PHE  19           1HE      PHE  19  -5.068  -6.260  -3.157
  166    HE2  PHE  19           2HE      PHE  19  -9.029  -5.459  -1.698
  167    HZ   PHE  19           HZ       PHE  19  -7.475  -6.847  -3.046
  168    H    CYS  20           H        CYS  20  -7.013  -0.165   0.396
  169    HA   CYS  20           HA       CYS  20  -9.571  -0.280  -0.877
  170   1HB   CYS  20          2HB       CYS  20  -8.882   0.267   1.551
  171   2HB   CYS  20          1HB       CYS  20  -8.602   1.910   0.973
  172    HG   CYS  20           HG       CYS  20 -11.388   0.508   1.041
  173    H    SER  21           H        SER  21  -6.855   1.911  -1.250
  174    HA   SER  21           HA       SER  21  -8.467   3.736  -2.976
  175   1HB   SER  21          2HB       SER  21  -7.023   4.526  -1.044
  176   2HB   SER  21          1HB       SER  21  -5.621   4.002  -1.971
  177    HG   SER  21           HG       SER  21  -7.471   6.058  -2.499
  178    H    GLU  22           H        GLU  22  -7.246   0.934  -3.703
  179    HA   GLU  22           HA       GLU  22  -6.041   1.858  -6.266
  180   1HB   GLU  22          2HB       GLU  22  -4.887  -0.048  -4.252
  181   2HB   GLU  22          1HB       GLU  22  -4.341  -0.017  -5.923
  182   1HG   GLU  22          2HG       GLU  22  -4.362   2.400  -4.091
  183   2HG   GLU  22          1HG       GLU  22  -2.941   1.407  -4.413
  184    H    TYR  23           H        TYR  23  -8.121  -0.365  -4.613
  185    HA   TYR  23           HA       TYR  23  -8.295  -2.075  -7.068
  186   1HB   TYR  23          2HB       TYR  23  -8.526  -2.596  -4.111
  187   2HB   TYR  23          1HB       TYR  23  -9.270  -3.699  -5.269
  188    HD1  TYR  23           1HD      TYR  23  -7.937  -5.131  -6.681
  189    HD2  TYR  23           2HD      TYR  23  -6.070  -2.232  -4.119
  190    HE1  TYR  23           1HE      TYR  23  -5.733  -6.190  -7.090
  191    HE2  TYR  23           2HE      TYR  23  -3.865  -3.292  -4.527
  192    HH   TYR  23           HH       TYR  23  -3.245  -5.347  -7.003
  193    H    ARG  24           H        ARG  24  -9.799   0.494  -6.253
  194    HA   ARG  24           HA       ARG  24 -12.537  -0.434  -5.800
  195   1HB   ARG  24          2HB       ARG  24 -11.343   2.289  -6.370
  196   2HB   ARG  24          1HB       ARG  24 -13.006   1.983  -5.870
  197   1HG   ARG  24          2HG       ARG  24 -12.119   0.861  -3.808
  198   2HG   ARG  24          1HG       ARG  24 -10.499   1.381  -4.279
  199   1HD   ARG  24          2HD       ARG  24 -10.894   3.564  -3.698
  200   2HD   ARG  24          1HD       ARG  24 -12.576   3.510  -4.266
  201    HE   ARG  24           HE       ARG  24 -11.759   2.100  -1.756
  202   1HH1  ARG  24          1HH1      ARG  24 -12.646   5.112  -1.942
  203   2HH1  ARG  24          2HH1      ARG  24 -14.279   4.960  -1.386
  204   1HH2  ARG  24          1HH2      ARG  24 -14.358   1.511  -1.732
  205   2HH2  ARG  24          2HH2      ARG  24 -15.248   2.921  -1.268
  206    HA   PRO  25           HA       PRO  25 -13.054   1.293 -10.275
  207   1HB   PRO  25          2HB       PRO  25 -10.840   1.317 -11.884
  208   2HB   PRO  25          1HB       PRO  25 -11.386   2.720 -10.945
  209   1HG   PRO  25          2HG       PRO  25  -9.220   0.771 -10.350
  210   2HG   PRO  25          1HG       PRO  25  -9.263   2.524 -10.103
  211   1HD   PRO  25          2HD       PRO  25  -9.624   0.743  -8.115
  212   2HD   PRO  25          1HD       PRO  25 -10.381   2.347  -8.103
  213    H    LYS  26           H        LYS  26 -11.068  -1.351  -9.286
  214    HA   LYS  26           HA       LYS  26 -11.349  -2.998 -11.677
  215   1HB   LYS  26          2HB       LYS  26  -9.626  -3.163  -9.789
  216   2HB   LYS  26          1HB       LYS  26 -10.926  -3.821  -8.789
  217   1HG   LYS  26          2HG       LYS  26 -10.389  -5.029 -11.487
  218   2HG   LYS  26          1HG       LYS  26  -9.353  -5.460 -10.125
  219   1HD   LYS  26          2HD       LYS  26 -11.564  -5.892  -8.845
  220   2HD   LYS  26          1HD       LYS  26 -12.319  -5.900 -10.439
  221   1HE   LYS  26          2HE       LYS  26 -11.782  -8.168 -10.181
  222   2HE   LYS  26          1HE       LYS  26 -10.328  -7.574 -11.007
  223   1HZ   LYS  26          1HZ       LYS  26  -9.321  -7.152  -8.845
  224   2HZ   LYS  26          2HZ       LYS  26  -9.734  -8.793  -9.003
  225   3HZ   LYS  26          3HZ       LYS  26 -10.699  -7.758  -8.063
  226    H    ILE  27           H        ILE  27 -12.841  -2.999  -8.441
  227    HA   ILE  27           HA       ILE  27 -14.817  -4.968  -8.735
  228    HB   ILE  27           HB       ILE  27 -15.100  -2.269  -7.363
  229   1HG1  ILE  27          2HG1      ILE  27 -13.023  -3.178  -6.561
  230   2HG1  ILE  27          1HG1      ILE  27 -14.223  -3.489  -5.324
  231   1HG2  ILE  27          1HG2      ILE  27 -17.174  -3.465  -7.368
  232   2HG2  ILE  27          2HG2      ILE  27 -16.482  -3.622  -5.754
  233   3HG2  ILE  27          3HG2      ILE  27 -16.378  -4.965  -6.892
  234   1HD1  ILE  27          1HD1      ILE  27 -13.010  -5.515  -5.549
  235   2HD1  ILE  27          2HD1      ILE  27 -13.058  -5.437  -7.310
  236   3HD1  ILE  27          3HD1      ILE  27 -14.530  -5.785  -6.401
  237    H    LYS  28           H        LYS  28 -14.787  -1.650  -9.885
  238    HA   LYS  28           HA       LYS  28 -17.602  -1.510 -10.538
  239   1HB   LYS  28          2HB       LYS  28 -15.572   0.180 -11.970
  240   2HB   LYS  28          1HB       LYS  28 -17.134   0.634 -11.307
  241   1HG   LYS  28          2HG       LYS  28 -14.527   0.260  -9.862
  242   2HG   LYS  28          1HG       LYS  28 -15.493   1.714  -9.963
  243   1HD   LYS  28          2HD       LYS  28 -16.200  -0.814  -8.431
  244   2HD   LYS  28          1HD       LYS  28 -15.719   0.732  -7.744
  245   1HE   LYS  28          2HE       LYS  28 -18.134   0.501  -9.562
  246   2HE   LYS  28          1HE       LYS  28 -18.251   0.268  -7.806
  247   1HZ   LYS  28          1HZ       LYS  28 -18.578   2.584  -8.299
  248   2HZ   LYS  28          2HZ       LYS  28 -17.147   2.644  -9.212
  249   3HZ   LYS  28          3HZ       LYS  28 -17.077   2.404  -7.531
  250    H    SER  29           H        SER  29 -14.696  -2.357 -12.386
  251    HA   SER  29           HA       SER  29 -15.809  -2.430 -14.999
  252   1HB   SER  29          2HB       SER  29 -13.403  -2.627 -14.348
  253   2HB   SER  29          1HB       SER  29 -13.725  -4.252 -13.751
  254    HG   SER  29           HG       SER  29 -13.958  -4.956 -15.760
  255    H    GLU  30           H        GLU  30 -16.191  -4.650 -12.309
  256    HA   GLU  30           HA       GLU  30 -17.704  -6.530 -14.096
  257   1HB   GLU  30          2HB       GLU  30 -15.673  -6.825 -12.002
  258   2HB   GLU  30          1HB       GLU  30 -17.080  -7.845 -11.716
  259   1HG   GLU  30          2HG       GLU  30 -15.801  -7.726 -14.442
  260   2HG   GLU  30          1HG       GLU  30 -15.161  -8.794 -13.191
  261    H    HIS  31           H        HIS  31 -17.867  -4.494 -11.260
  262    HA   HIS  31           HA       HIS  31 -20.648  -5.499 -10.739
  263   1HB   HIS  31          2HB       HIS  31 -18.747  -4.195  -8.765
  264   2HB   HIS  31          1HB       HIS  31 -20.273  -4.988  -8.403
  265    HD1  HIS  31           1HD      HIS  31 -16.683  -5.668  -9.070
  266    HD2  HIS  31           2HD      HIS  31 -20.187  -7.878  -8.608
  267    HE1  HIS  31           1HE      HIS  31 -15.973  -8.077  -8.766
  268    HA   PRO  32           HA       PRO  32 -21.077  -1.136 -12.009
  269   1HB   PRO  32          2HB       PRO  32 -23.589  -1.398 -13.062
  270   2HB   PRO  32          1HB       PRO  32 -22.113  -1.775 -13.968
  271   1HG   PRO  32          2HG       PRO  32 -24.050  -3.603 -12.671
  272   2HG   PRO  32          1HG       PRO  32 -23.097  -3.822 -14.146
  273   1HD   PRO  32          2HD       PRO  32 -22.500  -4.947 -11.700
  274   2HD   PRO  32          1HD       PRO  32 -21.341  -4.706 -13.022
  275    H    GLY  33           H        GLY  33 -23.493  -3.197 -10.411
  276   1HA   GLY  33          2HA       GLY  33 -24.885  -0.964  -9.168
  277   2HA   GLY  33          1HA       GLY  33 -25.123  -2.669  -8.799
  278    H    LEU  34           H        LEU  34 -21.917  -2.493  -8.505
  279    HA   LEU  34           HA       LEU  34 -21.880  -2.529  -5.636
  280   1HB   LEU  34          2HB       LEU  34 -20.112  -2.922  -7.877
  281   2HB   LEU  34          1HB       LEU  34 -19.301  -1.898  -6.699
  282    HG   LEU  34           HG       LEU  34 -18.904  -4.341  -6.327
  283   1HD1  LEU  34          1HD1      LEU  34 -18.514  -3.321  -4.335
  284   2HD1  LEU  34          2HD1      LEU  34 -19.991  -4.150  -3.846
  285   3HD1  LEU  34          3HD1      LEU  34 -20.052  -2.461  -4.352
  286   1HD2  LEU  34          1HD2      LEU  34 -20.591  -5.856  -6.050
  287   2HD2  LEU  34          2HD2      LEU  34 -21.558  -4.660  -6.913
  288   3HD2  LEU  34          3HD2      LEU  34 -21.598  -4.720  -5.151
  289    H    SER  35           H        SER  35 -23.013  -0.460  -5.148
  290    HA   SER  35           HA       SER  35 -21.780   2.099  -5.831
  291   1HB   SER  35          2HB       SER  35 -24.175   1.889  -5.446
  292   2HB   SER  35          1HB       SER  35 -23.898   1.212  -3.843
  293    HG   SER  35           HG       SER  35 -23.608   3.841  -4.775
  294    H    ILE  36           H        ILE  36 -21.200   3.622  -3.882
  295    HA   ILE  36           HA       ILE  36 -18.876   2.760  -2.562
  296    HB   ILE  36           HB       ILE  36 -20.945   4.829  -1.751
  297   1HG1  ILE  36          2HG1      ILE  36 -19.988   5.172  -4.004
  298   2HG1  ILE  36          1HG1      ILE  36 -19.409   6.406  -2.887
  299   1HG2  ILE  36          1HG2      ILE  36 -18.925   5.886  -0.593
  300   2HG2  ILE  36          2HG2      ILE  36 -18.116   4.331  -0.794
  301   3HG2  ILE  36          3HG2      ILE  36 -19.583   4.442   0.178
  302   1HD1  ILE  36          1HD1      ILE  36 -17.499   5.653  -4.136
  303   2HD1  ILE  36          2HD1      ILE  36 -17.911   3.960  -3.863
  304   3HD1  ILE  36          3HD1      ILE  36 -17.353   4.958  -2.521
  305    H    GLY  37           H        GLY  37 -22.237   2.341  -1.586
  306   1HA   GLY  37          2HA       GLY  37 -21.837   1.663   1.151
  307   2HA   GLY  37          1HA       GLY  37 -23.186   1.095   0.163
  308    H    ASP  38           H        ASP  38 -22.682  -0.758  -1.322
  309    HA   ASP  38           HA       ASP  38 -21.465  -2.936   0.109
  310   1HB   ASP  38          2HB       ASP  38 -23.319  -2.943  -1.647
  311   2HB   ASP  38          1HB       ASP  38 -22.049  -2.762  -2.858
  312    H    THR  39           H        THR  39 -20.088  -0.537  -2.031
  313    HA   THR  39           HA       THR  39 -17.823  -2.133  -2.919
  314    HB   THR  39           HB       THR  39 -18.391   0.845  -2.794
  315    HG1  THR  39           1HG      THR  39 -19.655  -0.509  -4.190
  316   1HG2  THR  39          1HG2      THR  39 -16.524   0.938  -4.543
  317   2HG2  THR  39          2HG2      THR  39 -16.074  -0.680  -4.006
  318   3HG2  THR  39          3HG2      THR  39 -16.006   0.674  -2.878
  319    H    ALA  40           H        ALA  40 -18.273   0.326  -0.365
  320    HA   ALA  40           HA       ALA  40 -15.654   0.477   0.658
  321   1HB   ALA  40          1HB       ALA  40 -16.846   1.043   2.802
  322   2HB   ALA  40          2HB       ALA  40 -18.347   0.494   2.057
  323   3HB   ALA  40          3HB       ALA  40 -17.495   1.891   1.399
  324    H    LYS  41           H        LYS  41 -18.213  -1.862   1.490
  325    HA   LYS  41           HA       LYS  41 -16.477  -3.365   3.292
  326   1HB   LYS  41          2HB       LYS  41 -18.465  -4.787   3.515
  327   2HB   LYS  41          1HB       LYS  41 -18.917  -3.091   3.611
  328   1HG   LYS  41          2HG       LYS  41 -19.339  -3.312   1.053
  329   2HG   LYS  41          1HG       LYS  41 -19.359  -5.043   1.368
  330   1HD   LYS  41          2HD       LYS  41 -21.632  -4.273   1.553
  331   2HD   LYS  41          1HD       LYS  41 -21.057  -4.589   3.189
  332   1HE   LYS  41          2HE       LYS  41 -20.344  -1.896   2.652
  333   2HE   LYS  41          1HE       LYS  41 -22.012  -2.093   2.075
  334   1HZ   LYS  41          1HZ       LYS  41 -21.974  -1.610   4.448
  335   2HZ   LYS  41          2HZ       LYS  41 -20.985  -2.964   4.726
  336   3HZ   LYS  41          3HZ       LYS  41 -22.576  -3.171   4.165
  337    H    LYS  42           H        LYS  42 -16.873  -3.341  -0.137
  338    HA   LYS  42           HA       LYS  42 -16.306  -6.190  -0.564
  339   1HB   LYS  42          2HB       LYS  42 -17.454  -4.188  -2.004
  340   2HB   LYS  42          1HB       LYS  42 -15.838  -4.170  -2.690
  341   1HG   LYS  42          2HG       LYS  42 -17.010  -5.714  -4.035
  342   2HG   LYS  42          1HG       LYS  42 -16.124  -6.735  -2.900
  343   1HD   LYS  42          2HD       LYS  42 -18.805  -5.846  -1.997
  344   2HD   LYS  42          1HD       LYS  42 -18.795  -6.967  -3.358
  345   1HE   LYS  42          2HE       LYS  42 -16.885  -7.943  -1.476
  346   2HE   LYS  42          1HE       LYS  42 -18.363  -7.558  -0.578
  347   1HZ   LYS  42          1HZ       LYS  42 -18.470  -9.783  -1.557
  348   2HZ   LYS  42          2HZ       LYS  42 -18.248  -9.121  -3.106
  349   3HZ   LYS  42          3HZ       LYS  42 -19.652  -8.763  -2.218
  350    H    LEU  43           H        LEU  43 -14.384  -3.737   0.592
  351    HA   LEU  43           HA       LEU  43 -11.958  -4.600  -0.920
  352   1HB   LEU  43          2HB       LEU  43 -12.872  -2.160   0.565
  353   2HB   LEU  43          1HB       LEU  43 -11.138  -2.468   0.445
  354    HG   LEU  43           HG       LEU  43 -12.866  -2.630  -2.011
  355   1HD1  LEU  43          1HD1      LEU  43 -12.980  -0.358  -2.297
  356   2HD1  LEU  43          2HD1      LEU  43 -11.473  -0.067  -1.428
  357   3HD1  LEU  43          3HD1      LEU  43 -12.962  -0.372  -0.534
  358   1HD2  LEU  43          1HD2      LEU  43 -10.604  -1.694  -2.915
  359   2HD2  LEU  43          2HD2      LEU  43 -10.675  -3.385  -2.421
  360   3HD2  LEU  43          3HD2      LEU  43  -9.960  -2.182  -1.348
  361    H    GLY  44           H        GLY  44 -13.440  -4.415   2.275
  362   1HA   GLY  44          2HA       GLY  44 -11.030  -5.272   3.693
  363   2HA   GLY  44          1HA       GLY  44 -12.647  -5.127   4.388
  364    H    GLU  45           H        GLU  45 -14.066  -6.763   2.597
  365    HA   GLU  45           HA       GLU  45 -13.783  -9.357   3.688
  366   1HB   GLU  45          2HB       GLU  45 -15.096  -8.076   1.340
  367   2HB   GLU  45          1HB       GLU  45 -14.970  -9.835   1.307
  368   1HG   GLU  45          2HG       GLU  45 -16.006  -8.373   3.737
  369   2HG   GLU  45          1HG       GLU  45 -17.074  -8.833   2.410
  370    H    MET  46           H        MET  46 -12.469  -8.047   0.638
  371    HA   MET  46           HA       MET  46 -11.171 -10.532  -0.153
  372   1HB   MET  46          2HB       MET  46 -10.972  -7.622  -0.977
  373   2HB   MET  46          1HB       MET  46 -10.039  -8.895  -1.766
  374   1HG   MET  46          2HG       MET  46 -13.041  -9.065  -1.462
  375   2HG   MET  46          1HG       MET  46 -12.283  -8.285  -2.851
  376   1HE   MET  46          1HE       MET  46 -13.997  -9.951  -3.763
  377   2HE   MET  46          2HE       MET  46 -14.196 -11.289  -2.635
  378   3HE   MET  46          3HE       MET  46 -13.585 -11.598  -4.258
  379    H    TRP  47           H        TRP  47  -9.981  -7.416   1.141
  380    HA   TRP  47           HA       TRP  47  -7.244  -7.936   1.380
  381   1HB   TRP  47          2HB       TRP  47  -8.486  -5.822   1.891
  382   2HB   TRP  47          1HB       TRP  47  -9.028  -6.547   3.405
  383    HD1  TRP  47           HD       TRP  47  -7.547  -6.068   5.404
  384    HE1  TRP  47           1HE      TRP  47  -5.086  -5.390   5.765
  385    HE3  TRP  47           3HE      TRP  47  -5.896  -6.141   0.573
  386    HZ2  TRP  47           2HZ      TRP  47  -2.728  -4.937   4.209
  387    HZ3  TRP  47           3HZ      TRP  47  -3.540  -5.583   0.040
  388    HH2  TRP  47           HH       TRP  47  -1.956  -4.982   1.851
  389    H    SER  48           H        SER  48  -9.698  -8.606   3.923
  390    HA   SER  48           HA       SER  48  -7.952  -9.887   5.772
  391   1HB   SER  48          2HB       SER  48 -10.240  -9.083   6.246
  392   2HB   SER  48          1HB       SER  48 -10.901 -10.329   5.190
  393    HG   SER  48           HG       SER  48  -9.986 -10.490   7.764
  394    H    GLU  49           H        GLU  49  -9.734 -11.171   2.983
  395    HA   GLU  49           HA       GLU  49  -9.314 -13.964   3.481
  396   1HB   GLU  49          2HB       GLU  49 -10.114 -12.166   1.274
  397   2HB   GLU  49          1HB       GLU  49  -9.411 -13.696   0.747
  398   1HG   GLU  49          2HG       GLU  49 -11.545 -13.629   2.876
  399   2HG   GLU  49          1HG       GLU  49 -11.973 -13.616   1.165
  400    H    GLN  50           H        GLN  50  -7.377 -11.538   1.737
  401    HA   GLN  50           HA       GLN  50  -5.385 -13.228   0.624
  402   1HB   GLN  50          2HB       GLN  50  -5.329 -10.396   1.701
  403   2HB   GLN  50          1HB       GLN  50  -4.007 -11.102   0.771
  404   1HG   GLN  50          2HG       GLN  50  -6.863 -11.004  -0.227
  405   2HG   GLN  50          1HG       GLN  50  -5.669  -9.760  -0.596
  406   1HE2  GLN  50          1HE2      GLN  50  -7.038 -12.012  -2.286
  407   2HE2  GLN  50          2HE2      GLN  50  -5.730 -12.738  -3.088
  408    H    SER  51           H        SER  51  -3.248 -13.740   1.398
  409    HA   SER  51           HA       SER  51  -3.115 -14.116   4.352
  410   1HB   SER  51          2HB       SER  51  -2.897 -16.018   2.710
  411   2HB   SER  51          1HB       SER  51  -1.429 -15.262   2.100
  412    HG   SER  51           HG       SER  51  -1.294 -16.936   3.861
  413    H    ALA  52           H        ALA  52  -0.162 -14.414   4.222
  414    HA   ALA  52           HA       ALA  52   0.542 -11.550   4.441
  415   1HB   ALA  52          1HB       ALA  52   1.183 -13.073   6.215
  416   2HB   ALA  52          2HB       ALA  52   2.653 -12.580   5.376
  417   3HB   ALA  52          3HB       ALA  52   1.948 -14.165   5.061
  418    H    LYS  53           H        LYS  53   0.052 -12.222   1.758
  419    HA   LYS  53           HA       LYS  53   2.821 -12.246   0.597
  420   1HB   LYS  53          2HB       LYS  53   0.253 -13.618  -0.198
  421   2HB   LYS  53          1HB       LYS  53   1.531 -13.338  -1.382
  422   1HG   LYS  53          2HG       LYS  53   3.118 -14.602  -0.067
  423   2HG   LYS  53          1HG       LYS  53   1.971 -14.741   1.267
  424   1HD   LYS  53          2HD       LYS  53   0.623 -16.270   0.124
  425   2HD   LYS  53          1HD       LYS  53   1.216 -15.761  -1.458
  426   1HE   LYS  53          2HE       LYS  53   3.272 -16.923  -1.189
  427   2HE   LYS  53          1HE       LYS  53   3.034 -17.098   0.562
  428   1HZ   LYS  53          1HZ       LYS  53   2.435 -19.137  -0.614
  429   2HZ   LYS  53          2HZ       LYS  53   1.297 -18.281  -1.541
  430   3HZ   LYS  53          3HZ       LYS  53   1.080 -18.447   0.136
  431    H    ASP  54           H        ASP  54  -0.582 -11.356  -0.089
  432    HA   ASP  54           HA       ASP  54  -0.005  -9.484  -2.187
  433   1HB   ASP  54          2HB       ASP  54  -2.201 -10.626  -1.493
  434   2HB   ASP  54          1HB       ASP  54  -2.329  -9.380  -0.252
  435    H    LYS  55           H        LYS  55   0.122  -9.211   1.307
  436    HA   LYS  55           HA       LYS  55   0.101  -6.278   1.333
  437   1HB   LYS  55          2HB       LYS  55  -0.777  -7.697   3.168
  438   2HB   LYS  55          1HB       LYS  55   0.841  -8.346   3.432
  439   1HG   LYS  55          2HG       LYS  55   1.661  -6.306   4.252
  440   2HG   LYS  55          1HG       LYS  55   0.370  -5.374   3.494
  441   1HD   LYS  55          2HD       LYS  55  -1.247  -6.142   5.080
  442   2HD   LYS  55          1HD       LYS  55  -0.152  -7.381   5.695
  443   1HE   LYS  55          2HE       LYS  55   1.297  -5.721   6.688
  444   2HE   LYS  55          1HE       LYS  55   0.417  -4.403   5.889
  445   1HZ   LYS  55          1HZ       LYS  55  -0.764  -6.339   7.814
  446   2HZ   LYS  55          2HZ       LYS  55  -1.586  -5.061   7.053
  447   3HZ   LYS  55          3HZ       LYS  55  -0.353  -4.733   8.175
  448    H    GLN  56           H        GLN  56   2.531  -8.864   1.464
  449    HA   GLN  56           HA       GLN  56   4.848  -7.613   2.299
  450   1HB   GLN  56          2HB       GLN  56   4.099  -9.722   0.377
  451   2HB   GLN  56          1HB       GLN  56   5.713  -9.055   0.126
  452   1HG   GLN  56          2HG       GLN  56   4.747  -9.924   2.856
  453   2HG   GLN  56          1HG       GLN  56   5.535 -11.043   1.743
  454   1HE2  GLN  56          1HE2      GLN  56   6.156  -8.788   4.202
  455   2HE2  GLN  56          2HE2      GLN  56   7.807  -8.536   3.896
  456    HA   PRO  57           HA       PRO  57   5.694  -5.574  -1.911
  457   1HB   PRO  57          2HB       PRO  57   3.826  -5.672  -3.887
  458   2HB   PRO  57          1HB       PRO  57   5.046  -6.941  -3.657
  459   1HG   PRO  57          2HG       PRO  57   2.182  -6.917  -2.924
  460   2HG   PRO  57          1HG       PRO  57   3.192  -8.260  -3.474
  461   1HD   PRO  57          2HD       PRO  57   2.444  -7.792  -0.851
  462   2HD   PRO  57          1HD       PRO  57   3.829  -8.782  -1.359
  463    H    TYR  58           H        TYR  58   2.220  -5.487  -1.124
  464    HA   TYR  58           HA       TYR  58   1.970  -2.646  -1.809
  465   1HB   TYR  58          2HB       TYR  58   0.317  -4.914  -1.509
  466   2HB   TYR  58          1HB       TYR  58  -0.207  -3.790  -0.258
  467    HD1  TYR  58           1HD      TYR  58   0.258  -4.270  -3.893
  468    HD2  TYR  58           2HD      TYR  58  -1.227  -1.663  -0.820
  469    HE1  TYR  58           1HE      TYR  58  -0.915  -2.917  -5.608
  470    HE2  TYR  58           2HE      TYR  58  -2.401  -0.310  -2.535
  471    HH   TYR  58           HH       TYR  58  -2.804  -1.376  -5.755
  472    H    GLU  59           H        GLU  59   3.414  -4.043   0.835
  473    HA   GLU  59           HA       GLU  59   2.234  -2.148   2.812
  474   1HB   GLU  59          2HB       GLU  59   3.419  -3.550   4.446
  475   2HB   GLU  59          1HB       GLU  59   2.477  -4.561   3.360
  476   1HG   GLU  59          2HG       GLU  59   4.365  -5.713   2.907
  477   2HG   GLU  59          1HG       GLU  59   4.980  -4.272   2.098
  478    H    GLN  60           H        GLN  60   5.121  -2.688   0.906
  479    HA   GLN  60           HA       GLN  60   6.864  -0.960   2.478
  480   1HB   GLN  60          2HB       GLN  60   8.350  -1.252   0.503
  481   2HB   GLN  60          1HB       GLN  60   7.701  -2.788   1.067
  482   1HG   GLN  60          2HG       GLN  60   6.199  -2.955  -0.729
  483   2HG   GLN  60          1HG       GLN  60   6.293  -1.234  -1.097
  484   1HE2  GLN  60          1HE2      GLN  60   7.412  -0.931  -3.023
  485   2HE2  GLN  60          2HE2      GLN  60   8.781  -1.812  -3.507
  486    H    LYS  61           H        LYS  61   4.505  -0.491  -0.058
  487    HA   LYS  61           HA       LYS  61   5.395   1.998  -1.148
  488   1HB   LYS  61          2HB       LYS  61   3.634   0.557  -2.107
  489   2HB   LYS  61          1HB       LYS  61   2.609   0.861  -0.705
  490   1HG   LYS  61          2HG       LYS  61   2.285   3.131  -1.287
  491   2HG   LYS  61          1HG       LYS  61   3.650   3.127  -2.406
  492   1HD   LYS  61          2HD       LYS  61   2.342   1.368  -3.743
  493   2HD   LYS  61          1HD       LYS  61   0.950   1.816  -2.756
  494   1HE   LYS  61          2HE       LYS  61   2.579   3.887  -4.255
  495   2HE   LYS  61          1HE       LYS  61   1.172   3.079  -4.976
  496   1HZ   LYS  61          1HZ       LYS  61   0.524   5.112  -3.810
  497   2HZ   LYS  61          2HZ       LYS  61   1.185   4.506  -2.368
  498   3HZ   LYS  61          3HZ       LYS  61  -0.156   3.742  -3.077
  499    H    ALA  62           H        ALA  62   3.381   1.250   1.698
  500    HA   ALA  62           HA       ALA  62   2.907   4.059   2.341
  501   1HB   ALA  62          1HB       ALA  62   2.434   1.376   3.628
  502   2HB   ALA  62          2HB       ALA  62   1.246   2.536   3.033
  503   3HB   ALA  62          3HB       ALA  62   2.129   2.863   4.524
  504    H    ALA  63           H        ALA  63   5.540   1.890   2.807
  505    HA   ALA  63           HA       ALA  63   6.530   3.098   5.293
  506   1HB   ALA  63          1HB       ALA  63   8.011   1.366   3.303
  507   2HB   ALA  63          2HB       ALA  63   6.823   0.694   4.420
  508   3HB   ALA  63          3HB       ALA  63   8.272   1.485   5.043
  509    H    LYS  64           H        LYS  64   6.342   4.268   2.172
  510    HA   LYS  64           HA       LYS  64   9.020   5.585   2.217
  511   1HB   LYS  64          2HB       LYS  64   6.874   5.009   0.173
  512   2HB   LYS  64          1HB       LYS  64   8.132   6.196  -0.153
  513   1HG   LYS  64          2HG       LYS  64   8.656   3.326   0.667
  514   2HG   LYS  64          1HG       LYS  64   8.707   3.911  -0.997
  515   1HD   LYS  64          2HD       LYS  64  10.359   5.711   0.031
  516   2HD   LYS  64          1HD       LYS  64  10.589   4.471   1.265
  517   1HE   LYS  64          2HE       LYS  64  10.739   3.732  -1.656
  518   2HE   LYS  64          1HE       LYS  64  12.152   4.412  -0.825
  519   1HZ   LYS  64          1HZ       LYS  64  11.880   2.746   0.914
  520   2HZ   LYS  64          2HZ       LYS  64  12.108   2.004  -0.598
  521   3HZ   LYS  64          3HZ       LYS  64  10.557   2.076   0.091
  522    H    LEU  65           H        LEU  65   5.553   6.155   2.330
  523    HA   LEU  65           HA       LEU  65   5.822   9.087   2.185
  524   1HB   LEU  65          2HB       LEU  65   3.629   7.041   2.406
  525   2HB   LEU  65          1HB       LEU  65   3.272   8.734   2.742
  526    HG   LEU  65           HG       LEU  65   4.450   9.224   0.491
  527   1HD1  LEU  65          1HD1      LEU  65   4.086   7.198  -1.082
  528   2HD1  LEU  65          2HD1      LEU  65   4.064   6.234   0.394
  529   3HD1  LEU  65          3HD1      LEU  65   5.498   7.170  -0.026
  530   1HD2  LEU  65          1HD2      LEU  65   2.377   9.080  -0.648
  531   2HD2  LEU  65          2HD2      LEU  65   1.923   9.203   1.052
  532   3HD2  LEU  65          3HD2      LEU  65   1.893   7.636   0.243
  533    H    LYS  66           H        LYS  66   6.435   6.867   4.601
  534    HA   LYS  66           HA       LYS  66   5.203   8.414   6.815
  535   1HB   LYS  66          2HB       LYS  66   5.189   5.897   6.664
  536   2HB   LYS  66          1HB       LYS  66   6.946   5.927   6.812
  537   1HG   LYS  66          2HG       LYS  66   6.495   5.742   9.042
  538   2HG   LYS  66          1HG       LYS  66   6.266   7.487   8.929
  539   1HD   LYS  66          2HD       LYS  66   3.976   7.338   9.066
  540   2HD   LYS  66          1HD       LYS  66   3.924   5.774   8.250
  541   1HE   LYS  66          2HE       LYS  66   5.210   5.007  10.484
  542   2HE   LYS  66          1HE       LYS  66   4.300   6.379  11.147
  543   1HZ   LYS  66          1HZ       LYS  66   2.880   4.487  11.235
  544   2HZ   LYS  66          2HZ       LYS  66   3.218   4.071   9.623
  545   3HZ   LYS  66          3HZ       LYS  66   2.318   5.468   9.971
  546    H    GLU  67           H        GLU  67   8.339   7.639   5.384
  547    HA   GLU  67           HA       GLU  67   9.876   9.047   7.457
  548   1HB   GLU  67          2HB       GLU  67  10.448   7.681   4.822
  549   2HB   GLU  67          1HB       GLU  67  11.711   8.539   5.705
  550   1HG   GLU  67          2HG       GLU  67  11.072   7.139   7.736
  551   2HG   GLU  67          1HG       GLU  67  10.095   6.159   6.642
  552    H    LYS  68           H        LYS  68   8.130   9.962   4.646
  553    HA   LYS  68           HA       LYS  68   9.770  12.426   4.246
  554   1HB   LYS  68          2HB       LYS  68   7.675  10.946   2.630
  555   2HB   LYS  68          1HB       LYS  68   8.276  12.538   2.168
  556   1HG   LYS  68          2HG       LYS  68  10.606  11.603   2.205
  557   2HG   LYS  68          1HG       LYS  68   9.910  10.006   2.486
  558   1HD   LYS  68          2HD       LYS  68   8.557  10.309   0.382
  559   2HD   LYS  68          1HD       LYS  68   9.472  11.786   0.074
  560   1HE   LYS  68          2HE       LYS  68  11.590  10.371   0.250
  561   2HE   LYS  68          1HE       LYS  68  10.529   8.949   0.200
  562   1HZ   LYS  68          1HZ       LYS  68  11.224   9.629  -2.033
  563   2HZ   LYS  68          2HZ       LYS  68  10.530  11.159  -1.788
  564   3HZ   LYS  68          3HZ       LYS  68   9.546   9.775  -1.835
  565    H    TYR  69           H        TYR  69   6.622  11.201   5.226
  566    HA   TYR  69           HA       TYR  69   5.261  13.778   5.235
  567   1HB   TYR  69          2HB       TYR  69   4.036  11.698   4.970
  568   2HB   TYR  69          1HB       TYR  69   4.728  11.045   6.451
  569    HD1  TYR  69           1HD      TYR  69   3.059  10.826   8.066
  570    HD2  TYR  69           2HD      TYR  69   3.152  14.355   5.624
  571    HE1  TYR  69           1HE      TYR  69   1.181  11.781   9.374
  572    HE2  TYR  69           2HE      TYR  69   1.273  15.310   6.929
  573    HH   TYR  69           HH       TYR  69   0.403  14.867   9.486
  574    H    GLU  70           H        GLU  70   6.443  11.612   7.843
  575    HA   GLU  70           HA       GLU  70   6.013  13.512   9.968
  576   1HB   GLU  70          2HB       GLU  70   7.689  11.015   9.630
  577   2HB   GLU  70          1HB       GLU  70   7.568  11.871  11.167
  578   1HG   GLU  70          2HG       GLU  70   5.046  11.161   9.711
  579   2HG   GLU  70          1HG       GLU  70   5.896   9.900  10.606
  580    H    LYS  71           H        LYS  71   8.504  13.312   7.571
  581    HA   LYS  71           HA       LYS  71  10.425  14.846   9.259
  582   1HB   LYS  71          2HB       LYS  71  10.602  13.477   6.556
  583   2HB   LYS  71          1HB       LYS  71  11.948  14.315   7.330
  584   1HG   LYS  71          2HG       LYS  71  11.368  12.768   9.376
  585   2HG   LYS  71          1HG       LYS  71  10.584  11.768   8.152
  586   1HD   LYS  71          2HD       LYS  71  12.690  11.714   6.854
  587   2HD   LYS  71          1HD       LYS  71  13.474  12.687   8.099
  588   1HE   LYS  71          2HE       LYS  71  12.679  10.805   9.737
  589   2HE   LYS  71          1HE       LYS  71  12.529   9.829   8.261
  590   1HZ   LYS  71          1HZ       LYS  71  14.939  11.366   9.082
  591   2HZ   LYS  71          2HZ       LYS  71  14.787  10.449   7.660
  592   3HZ   LYS  71          3HZ       LYS  71  14.770   9.681   9.176
  593    H    ASP  72           H        ASP  72   8.388  15.130   6.382
  594    HA   ASP  72           HA       ASP  72   9.491  17.798   5.719
  595   1HB   ASP  72          2HB       ASP  72   8.863  15.931   4.085
  596   2HB   ASP  72          1HB       ASP  72   7.181  16.306   4.459
  597    H    ILE  73           H        ILE  73   6.577  16.360   7.131
  598    HA   ILE  73           HA       ILE  73   4.918  18.702   6.989
  599    HB   ILE  73           HB       ILE  73   4.321  16.240   7.405
  600   1HG1  ILE  73          2HG1      ILE  73   2.498  17.010   9.151
  601   2HG1  ILE  73          1HG1      ILE  73   3.179  18.608   8.841
  602   1HG2  ILE  73          1HG2      ILE  73   4.753  16.951  10.309
  603   2HG2  ILE  73          2HG2      ILE  73   5.961  16.069   9.373
  604   3HG2  ILE  73          3HG2      ILE  73   4.357  15.377   9.619
  605   1HD1  ILE  73          1HD1      ILE  73   2.550  18.592   6.597
  606   2HD1  ILE  73          2HD1      ILE  73   1.211  17.712   7.333
  607   3HD1  ILE  73          3HD1      ILE  73   2.503  16.830   6.518
  608    H    ALA  74           H        ALA  74   7.644  17.983   8.993
  609    HA   ALA  74           HA       ALA  74   6.891  19.600  11.294
  610   1HB   ALA  74          1HB       ALA  74   9.253  19.246  11.891
  611   2HB   ALA  74          2HB       ALA  74   9.602  18.710  10.248
  612   3HB   ALA  74          3HB       ALA  74   8.560  17.740  11.288
  613    H    ALA  75           H        ALA  75   9.014  20.098   8.465
  614    HA   ALA  75           HA       ALA  75   9.454  22.931   9.117
  615   1HB   ALA  75          1HB       ALA  75  10.835  22.836   7.098
  616   2HB   ALA  75          2HB       ALA  75  10.105  21.296   6.642
  617   3HB   ALA  75          3HB       ALA  75  11.138  21.395   8.068
  618    H    TYR  76           H        TYR  76   7.336  21.006   7.083
  619    HA   TYR  76           HA       TYR  76   6.461  23.030   5.251
  620   1HB   TYR  76          2HB       TYR  76   6.116  20.550   5.090
  621   2HB   TYR  76          1HB       TYR  76   4.950  20.659   6.409
  622    HD1  TYR  76           1HD      TYR  76   5.662  21.668   2.912
  623    HD2  TYR  76           2HD      TYR  76   2.738  21.545   6.057
  624    HE1  TYR  76           1HE      TYR  76   3.893  22.291   1.291
  625    HE2  TYR  76           2HE      TYR  76   0.968  22.168   4.434
  626    HH   TYR  76           HH       TYR  76   1.530  23.495   1.524
  627    H    ARG  77           H        ARG  77   5.186  21.976   8.413
  628    HA   ARG  77           HA       ARG  77   2.920  23.715   8.521
  629   1HB   ARG  77          2HB       ARG  77   4.692  22.314  10.517
  630   2HB   ARG  77          1HB       ARG  77   3.394  23.370  11.077
  631   1HG   ARG  77          2HG       ARG  77   1.823  22.051   9.580
  632   2HG   ARG  77          1HG       ARG  77   3.140  20.902   9.343
  633   1HD   ARG  77          2HD       ARG  77   3.125  20.222  11.600
  634   2HD   ARG  77          1HD       ARG  77   2.278  21.690  12.128
  635    HE   ARG  77           HE       ARG  77   0.380  20.734  10.555
  636   1HH1  ARG  77          1HH2      ARG  77   0.872  19.795  13.521
  637   2HH1  ARG  77          2HH2      ARG  77   0.550  18.103  13.337
  638   1HH2  ARG  77          1HH1      ARG  77   0.696  18.182   9.874
  639   2HH2  ARG  77          2HH1      ARG  77   0.452  17.190  11.271
  640    H    ALA  78           H        ALA  78   5.820  24.151  10.563
  641    HA   ALA  78           HA       ALA  78   6.882  26.118  11.326
  642   1HB   ALA  78          1HB       ALA  78   7.303  25.984   8.785
  643   2HB   ALA  78          2HB       ALA  78   7.539  27.557   9.546
  644   3HB   ALA  78          3HB       ALA  78   6.064  27.230   8.635
  645    H    LYS  79           H        LYS  79   4.234  25.921  12.221
  646    HA   LYS  79           HA       LYS  79   2.829  28.455  11.690
  647   1HB   LYS  79          2HB       LYS  79   2.375  25.856  13.009
  648   2HB   LYS  79          1HB       LYS  79   1.556  27.215  13.775
  649   1HG   LYS  79          2HG       LYS  79   0.310  27.713  11.847
  650   2HG   LYS  79          1HG       LYS  79   1.426  26.848  10.789
  651   1HD   LYS  79          2HD       LYS  79   0.671  24.792  12.337
  652   2HD   LYS  79          1HD       LYS  79  -0.777  25.787  12.494
  653   1HE   LYS  79          2HE       LYS  79  -0.627  25.990   9.886
  654   2HE   LYS  79          1HE       LYS  79   0.390  24.540  10.012
  655   1HZ   LYS  79          1HZ       LYS  79  -1.959  23.950   9.833
  656   2HZ   LYS  79          2HZ       LYS  79  -2.308  24.866  11.221
  657   3HZ   LYS  79          3HZ       LYS  79  -1.327  23.483  11.337
  Start of MODEL   14
    1   1H    MET   1          1HT       MET   1  -9.937  18.682   6.010
    2   2H    MET   1          2HT       MET   1 -10.718  17.184   5.824
    3   3H    MET   1          3HT       MET   1 -11.615  18.568   6.233
    4    HA   MET   1           HA       MET   1 -11.929  18.041   3.891
    5   1HB   MET   1          2HB       MET   1 -11.697  20.390   5.000
    6   2HB   MET   1          1HB       MET   1 -10.150  20.462   4.154
    7   1HG   MET   1          2HG       MET   1 -11.194  20.264   2.020
    8   2HG   MET   1          1HG       MET   1 -12.733  19.785   2.736
    9   1HE   MET   1          1HE       MET   1 -13.619  21.303   4.798
   10   2HE   MET   1          2HE       MET   1 -14.601  21.395   3.339
   11   3HE   MET   1          3HE       MET   1 -14.239  22.864   4.242
   12    H    LYS   2           H        LYS   2 -10.876  18.029   1.735
   13    HA   LYS   2           HA       LYS   2  -8.141  16.846   1.865
   14   1HB   LYS   2          2HB       LYS   2 -10.555  16.680   0.120
   15   2HB   LYS   2          1HB       LYS   2  -8.991  16.424  -0.654
   16   1HG   LYS   2          2HG       LYS   2  -9.570  14.261   0.043
   17   2HG   LYS   2          1HG       LYS   2  -8.533  14.821   1.356
   18   1HD   LYS   2          2HD       LYS   2 -10.475  13.855   2.384
   19   2HD   LYS   2          1HD       LYS   2 -10.642  15.603   2.540
   20   1HE   LYS   2          2HE       LYS   2 -11.843  15.128   0.100
   21   2HE   LYS   2          1HE       LYS   2 -12.295  13.693   1.042
   22   1HZ   LYS   2          1HZ       LYS   2 -13.846  15.475   1.491
   23   2HZ   LYS   2          2HZ       LYS   2 -12.576  16.522   1.912
   24   3HZ   LYS   2          3HZ       LYS   2 -12.921  15.168   2.878
   25    H    LYS   3           H        LYS   3  -8.807  19.834   1.923
   26    HA   LYS   3           HA       LYS   3  -8.079  20.982  -0.613
   27   1HB   LYS   3          2HB       LYS   3  -9.286  21.999   1.425
   28   2HB   LYS   3          1HB       LYS   3  -7.679  22.207   2.121
   29   1HG   LYS   3          2HG       LYS   3  -7.009  23.469   0.061
   30   2HG   LYS   3          1HG       LYS   3  -8.680  23.366  -0.495
   31   1HD   LYS   3          2HD       LYS   3  -9.443  24.566   1.507
   32   2HD   LYS   3          1HD       LYS   3  -7.786  24.636   2.111
   33   1HE   LYS   3          2HE       LYS   3  -7.109  25.982   0.160
   34   2HE   LYS   3          1HE       LYS   3  -8.763  25.897  -0.479
   35   1HZ   LYS   3          1HZ       LYS   3  -8.002  26.980   2.183
   36   2HZ   LYS   3          2HZ       LYS   3  -9.579  26.901   1.554
   37   3HZ   LYS   3          3HZ       LYS   3  -8.421  27.916   0.833
   38    H    LYS   4           H        LYS   4  -6.103  20.211  -1.426
   39    HA   LYS   4           HA       LYS   4  -3.673  21.139  -0.086
   40   1HB   LYS   4          2HB       LYS   4  -4.537  18.276  -0.293
   41   2HB   LYS   4          1HB       LYS   4  -2.817  18.652  -0.383
   42   1HG   LYS   4          2HG       LYS   4  -3.261  20.083   1.751
   43   2HG   LYS   4          1HG       LYS   4  -4.731  19.119   1.893
   44   1HD   LYS   4          2HD       LYS   4  -3.262  17.055   1.682
   45   2HD   LYS   4          1HD       LYS   4  -1.872  18.126   1.864
   46   1HE   LYS   4          2HE       LYS   4  -2.299  17.421   4.085
   47   2HE   LYS   4          1HE       LYS   4  -3.136  18.983   4.001
   48   1HZ   LYS   4          1HZ       LYS   4  -4.606  17.254   4.858
   49   2HZ   LYS   4          2HZ       LYS   4  -4.365  16.332   3.452
   50   3HZ   LYS   4          3HZ       LYS   4  -5.161  17.831   3.363
   51    H    ASP   5           H        ASP   5  -1.737  19.982  -1.542
   52    HA   ASP   5           HA       ASP   5  -2.544  20.258  -4.419
   53   1HB   ASP   5          2HB       ASP   5  -0.772  21.863  -2.726
   54   2HB   ASP   5          1HB       ASP   5   0.055  21.269  -4.164
   55    HA   PRO   6           HA       PRO   6   0.007  16.747  -5.197
   56   1HB   PRO   6          2HB       PRO   6   1.667  17.455  -7.259
   57   2HB   PRO   6          1HB       PRO   6  -0.068  17.144  -7.475
   58   1HG   PRO   6          2HG       PRO   6   1.371  19.741  -7.238
   59   2HG   PRO   6          1HG       PRO   6   0.029  19.288  -8.301
   60   1HD   PRO   6          2HD       PRO   6  -0.314  20.745  -6.041
   61   2HD   PRO   6          1HD       PRO   6  -1.554  19.644  -6.677
   62    H    ASN   7           H        ASN   7   1.762  19.777  -4.795
   63    HA   ASN   7           HA       ASN   7   4.345  18.539  -4.240
   64   1HB   ASN   7          2HB       ASN   7   3.687  20.914  -5.113
   65   2HB   ASN   7          1HB       ASN   7   3.482  21.302  -3.404
   66   1HD2  ASN   7          1HD2      ASN   7   5.795  21.116  -5.901
   67   2HD2  ASN   7          2HD2      ASN   7   7.192  21.163  -4.937
   68    H    ALA   8           H        ALA   8   1.494  19.217  -2.347
   69    HA   ALA   8           HA       ALA   8   2.980  19.039   0.220
   70   1HB   ALA   8          1HB       ALA   8   1.244  20.740  -0.030
   71   2HB   ALA   8          2HB       ALA   8   0.683  19.531   1.124
   72   3HB   ALA   8          3HB       ALA   8   0.077  19.517  -0.531
   73    HA   PRO   9           HA       PRO   9   2.052  14.673   0.218
   74   1HB   PRO   9          2HB       PRO   9   2.737  14.098   2.803
   75   2HB   PRO   9          1HB       PRO   9   3.933  14.347   1.515
   76   1HG   PRO   9          2HG       PRO   9   3.045  16.196   3.662
   77   2HG   PRO   9          1HG       PRO   9   4.652  15.967   2.961
   78   1HD   PRO   9          2HD       PRO   9   2.990  18.051   2.324
   79   2HD   PRO   9          1HD       PRO   9   4.254  17.422   1.246
   80    H    LYS  10           H        LYS  10  -0.156  14.342   0.146
   81    HA   LYS  10           HA       LYS  10  -2.046  15.354   2.059
   82   1HB   LYS  10          2HB       LYS  10  -3.598  13.882   0.808
   83   2HB   LYS  10          1HB       LYS  10  -2.543  14.761  -0.294
   84   1HG   LYS  10          2HG       LYS  10  -1.028  12.553   0.111
   85   2HG   LYS  10          1HG       LYS  10  -2.635  11.856   0.319
   86   1HD   LYS  10          2HD       LYS  10  -3.232  13.123  -1.868
   87   2HD   LYS  10          1HD       LYS  10  -1.488  13.240  -2.099
   88   1HE   LYS  10          2HE       LYS  10  -1.243  10.839  -2.100
   89   2HE   LYS  10          1HE       LYS  10  -2.929  10.616  -1.589
   90   1HZ   LYS  10          1HZ       LYS  10  -2.077  11.983  -4.087
   91   2HZ   LYS  10          2HZ       LYS  10  -3.678  11.682  -3.598
   92   3HZ   LYS  10          3HZ       LYS  10  -2.654  10.390  -4.011
   93    H    ARG  11           H        ARG  11  -3.570  12.889   2.495
   94    HA   ARG  11           HA       ARG  11  -2.584  12.045   5.015
   95   1HB   ARG  11          2HB       ARG  11  -4.677  11.345   3.088
   96   2HB   ARG  11          1HB       ARG  11  -4.115   9.937   3.990
   97   1HG   ARG  11          2HG       ARG  11  -5.796  10.784   5.387
   98   2HG   ARG  11          1HG       ARG  11  -4.340  11.505   6.076
   99   1HD   ARG  11          2HD       ARG  11  -4.760  13.551   4.662
  100   2HD   ARG  11          1HD       ARG  11  -6.315  12.836   4.192
  101    HE   ARG  11           HE       ARG  11  -5.617  13.827   6.882
  102   1HH1  ARG  11          1HH1      ARG  11  -6.844  11.189   7.343
  103   2HH1  ARG  11          2HH1      ARG  11  -8.540  11.543   7.359
  104   1HH2  ARG  11          1HH2      ARG  11  -8.179  14.634   5.829
  105   2HH2  ARG  11          2HH2      ARG  11  -9.295  13.494   6.502
  106    HA   PRO  12           HA       PRO  12   0.648   9.296   3.660
  107   1HB   PRO  12          2HB       PRO  12   1.130   8.003   6.022
  108   2HB   PRO  12          1HB       PRO  12   1.686   9.657   5.694
  109   1HG   PRO  12          2HG       PRO  12  -0.631   8.721   7.298
  110   2HG   PRO  12          1HG       PRO  12   0.455  10.091   7.568
  111   1HD   PRO  12          2HD       PRO  12  -2.077  10.308   6.531
  112   2HD   PRO  12          1HD       PRO  12  -0.778  11.489   6.261
  113    HA   PRO  13           HA       PRO  13  -1.892   5.667   3.036
  114   1HB   PRO  13          2HB       PRO  13  -0.221   4.308   1.358
  115   2HB   PRO  13          1HB       PRO  13  -1.192   5.699   0.838
  116   1HG   PRO  13          2HG       PRO  13   1.700   5.526   1.401
  117   2HG   PRO  13          1HG       PRO  13   0.822   6.585   0.290
  118   1HD   PRO  13          2HD       PRO  13   1.819   7.287   2.812
  119   2HD   PRO  13          1HD       PRO  13   0.670   8.225   1.837
  120    H    SER  14           H        SER  14  -1.353   3.125   3.076
  121    HA   SER  14           HA       SER  14   0.919   2.287   4.691
  122   1HB   SER  14          2HB       SER  14  -1.649   3.123   5.920
  123   2HB   SER  14          1HB       SER  14  -0.972   1.617   6.532
  124    HG   SER  14           HG       SER  14   0.452   2.767   7.547
  125    H    ALA  15           H        ALA  15   0.312   1.073   2.403
  126    HA   ALA  15           HA       ALA  15  -0.111  -1.018   1.470
  127   1HB   ALA  15          1HB       ALA  15   0.420  -2.628   2.961
  128   2HB   ALA  15          2HB       ALA  15  -1.141  -2.443   3.756
  129   3HB   ALA  15          3HB       ALA  15   0.229  -1.458   4.265
  130    H    PHE  16           H        PHE  16  -2.630  -1.183   4.026
  131    HA   PHE  16           HA       PHE  16  -4.747  -2.027   2.433
  132   1HB   PHE  16          2HB       PHE  16  -4.457  -1.550   4.990
  133   2HB   PHE  16          1HB       PHE  16  -5.121   0.035   4.592
  134    HD1  PHE  16           1HD      PHE  16  -5.927  -3.316   5.440
  135    HD2  PHE  16           2HD      PHE  16  -7.299   0.021   3.109
  136    HE1  PHE  16           1HE      PHE  16  -8.213  -4.275   5.413
  137    HE2  PHE  16           2HE      PHE  16  -9.585  -0.938   3.082
  138    HZ   PHE  16           HZ       PHE  16 -10.043  -3.086   4.234
  139    H    PHE  17           H        PHE  17  -3.944   1.384   3.176
  140    HA   PHE  17           HA       PHE  17  -5.998   2.632   1.667
  141   1HB   PHE  17          2HB       PHE  17  -4.109   3.494   3.305
  142   2HB   PHE  17          1HB       PHE  17  -3.211   3.750   1.808
  143    HD1  PHE  17           1HD      PHE  17  -6.473   4.497   3.475
  144    HD2  PHE  17           2HD      PHE  17  -3.634   5.639   0.459
  145    HE1  PHE  17           1HE      PHE  17  -7.744   6.587   3.069
  146    HE2  PHE  17           2HE      PHE  17  -4.906   7.729   0.054
  147    HZ   PHE  17           HZ       PHE  17  -6.961   8.203   1.358
  148    H    LEU  18           H        LEU  18  -2.911   1.241   0.637
  149    HA   LEU  18           HA       LEU  18  -2.999   2.357  -2.058
  150   1HB   LEU  18          2HB       LEU  18  -1.445  -0.027  -1.000
  151   2HB   LEU  18          1HB       LEU  18  -1.026   0.982  -2.378
  152    HG   LEU  18           HG       LEU  18  -1.052   1.838   0.536
  153   1HD1  LEU  18          1HD1      LEU  18   0.866   0.438  -0.115
  154   2HD1  LEU  18          2HD1      LEU  18   1.374   2.101   0.178
  155   3HD1  LEU  18          3HD1      LEU  18   1.195   1.512  -1.474
  156   1HD2  LEU  18          1HD2      LEU  18  -1.648   3.807  -0.596
  157   2HD2  LEU  18          2HD2      LEU  18  -0.756   3.358  -2.048
  158   3HD2  LEU  18          3HD2      LEU  18   0.113   3.900  -0.613
  159    H    PHE  19           H        PHE  19  -4.036  -0.633  -0.487
  160    HA   PHE  19           HA       PHE  19  -4.548  -2.097  -2.953
  161   1HB   PHE  19          2HB       PHE  19  -4.010  -3.037  -0.675
  162   2HB   PHE  19          1HB       PHE  19  -5.614  -2.531  -0.147
  163    HD1  PHE  19           1HD      PHE  19  -7.622  -3.650  -0.945
  164    HD2  PHE  19           2HD      PHE  19  -3.732  -4.831  -2.331
  165    HE1  PHE  19           1HE      PHE  19  -8.591  -5.724  -1.896
  166    HE2  PHE  19           2HE      PHE  19  -4.701  -6.906  -3.283
  167    HZ   PHE  19           HZ       PHE  19  -7.131  -7.353  -3.065
  168    H    CYS  20           H        CYS  20  -6.732  -0.702  -0.468
  169    HA   CYS  20           HA       CYS  20  -9.183  -1.143  -1.831
  170   1HB   CYS  20          2HB       CYS  20  -8.482  -0.233   0.571
  171   2HB   CYS  20          1HB       CYS  20  -8.737   1.332  -0.202
  172    HG   CYS  20           HG       CYS  20 -11.136   0.912   0.282
  173    H    SER  21           H        SER  21  -7.213   1.850  -1.764
  174    HA   SER  21           HA       SER  21  -8.744   3.405  -3.565
  175   1HB   SER  21          2HB       SER  21  -6.731   4.006  -2.097
  176   2HB   SER  21          1HB       SER  21  -5.722   3.371  -3.394
  177    HG   SER  21           HG       SER  21  -6.627   4.897  -4.779
  178    H    GLU  22           H        GLU  22  -6.589   0.715  -4.228
  179    HA   GLU  22           HA       GLU  22  -6.554   1.323  -7.138
  180   1HB   GLU  22          2HB       GLU  22  -5.057  -0.380  -5.206
  181   2HB   GLU  22          1HB       GLU  22  -5.073  -0.876  -6.895
  182   1HG   GLU  22          2HG       GLU  22  -4.291   1.890  -5.932
  183   2HG   GLU  22          1HG       GLU  22  -3.141   0.614  -6.333
  184    H    TYR  23           H        TYR  23  -8.026  -0.871  -4.823
  185    HA   TYR  23           HA       TYR  23  -8.915  -2.761  -6.911
  186   1HB   TYR  23          2HB       TYR  23  -8.766  -2.570  -3.970
  187   2HB   TYR  23          1HB       TYR  23 -10.202  -3.407  -4.560
  188    HD1  TYR  23           1HD      TYR  23  -6.501  -3.252  -5.174
  189    HD2  TYR  23           2HD      TYR  23 -10.044  -5.680  -5.073
  190    HE1  TYR  23           1HE      TYR  23  -5.136  -5.265  -5.658
  191    HE2  TYR  23           2HE      TYR  23  -8.677  -7.692  -5.555
  192    HH   TYR  23           HH       TYR  23  -6.067  -7.871  -6.856
  193    H    ARG  24           H        ARG  24 -10.322  -0.213  -4.861
  194    HA   ARG  24           HA       ARG  24 -13.050  -0.567  -5.231
  195   1HB   ARG  24          2HB       ARG  24 -11.324   1.910  -5.163
  196   2HB   ARG  24          1HB       ARG  24 -13.087   1.975  -5.136
  197   1HG   ARG  24          2HG       ARG  24 -13.208   0.771  -3.084
  198   2HG   ARG  24          1HG       ARG  24 -11.513   0.297  -3.181
  199   1HD   ARG  24          2HD       ARG  24 -10.777   2.298  -2.343
  200   2HD   ARG  24          1HD       ARG  24 -12.013   3.225  -3.219
  201    HE   ARG  24           HE       ARG  24 -12.864   1.510  -0.935
  202   1HH1  ARG  24          1HH2      ARG  24 -14.329   3.739  -2.631
  203   2HH1  ARG  24          2HH2      ARG  24 -14.479   4.959  -1.410
  204   1HH2  ARG  24          1HH1      ARG  24 -12.227   3.448   0.750
  205   2HH2  ARG  24          2HH1      ARG  24 -13.288   4.794   0.504
  206    HA   PRO  25           HA       PRO  25 -12.897   1.912  -9.419
  207   1HB   PRO  25          2HB       PRO  25 -10.513   1.762 -10.783
  208   2HB   PRO  25          1HB       PRO  25 -10.960   3.118  -9.726
  209   1HG   PRO  25          2HG       PRO  25  -9.274   0.727  -9.111
  210   2HG   PRO  25          1HG       PRO  25  -8.976   2.436  -8.741
  211   1HD   PRO  25          2HD       PRO  25  -9.888   0.805  -6.870
  212   2HD   PRO  25          1HD       PRO  25 -10.521   2.460  -6.989
  213    H    LYS  26           H        LYS  26 -11.034  -1.008  -8.836
  214    HA   LYS  26           HA       LYS  26 -11.547  -2.336 -11.359
  215   1HB   LYS  26          2HB       LYS  26  -9.879  -2.834  -9.415
  216   2HB   LYS  26          1HB       LYS  26 -11.253  -3.648  -8.659
  217   1HG   LYS  26          2HG       LYS  26 -10.493  -4.277 -11.504
  218   2HG   LYS  26          1HG       LYS  26  -9.648  -5.055 -10.164
  219   1HD   LYS  26          2HD       LYS  26 -11.986  -5.643  -9.258
  220   2HD   LYS  26          1HD       LYS  26 -12.584  -5.203 -10.858
  221   1HE   LYS  26          2HE       LYS  26 -11.028  -6.858 -11.880
  222   2HE   LYS  26          1HE       LYS  26 -10.508  -7.339 -10.252
  223   1HZ   LYS  26          1HZ       LYS  26 -13.301  -7.387 -11.269
  224   2HZ   LYS  26          2HZ       LYS  26 -12.818  -7.807  -9.695
  225   3HZ   LYS  26          3HZ       LYS  26 -12.319  -8.748 -11.019
  226    H    ILE  27           H        ILE  27 -13.103  -2.350  -8.174
  227    HA   ILE  27           HA       ILE  27 -15.209  -4.202  -8.666
  228    HB   ILE  27           HB       ILE  27 -15.086  -1.701  -6.934
  229   1HG1  ILE  27          2HG1      ILE  27 -13.249  -3.318  -6.498
  230   2HG1  ILE  27          1HG1      ILE  27 -14.365  -3.213  -5.143
  231   1HG2  ILE  27          1HG2      ILE  27 -16.750  -3.002  -5.517
  232   2HG2  ILE  27          2HG2      ILE  27 -16.946  -4.087  -6.893
  233   3HG2  ILE  27          3HG2      ILE  27 -17.375  -2.383  -7.046
  234   1HD1  ILE  27          1HD1      ILE  27 -13.820  -5.554  -5.607
  235   2HD1  ILE  27          2HD1      ILE  27 -14.363  -5.365  -7.274
  236   3HD1  ILE  27          3HD1      ILE  27 -15.523  -5.245  -5.950
  237    H    LYS  28           H        LYS  28 -14.773  -0.872  -9.683
  238    HA   LYS  28           HA       LYS  28 -17.614  -0.429 -10.250
  239   1HB   LYS  28          2HB       LYS  28 -15.391   1.279 -11.347
  240   2HB   LYS  28          1HB       LYS  28 -16.966   1.770 -10.740
  241   1HG   LYS  28          2HG       LYS  28 -14.499   1.031  -9.198
  242   2HG   LYS  28          1HG       LYS  28 -15.402   2.525  -9.122
  243   1HD   LYS  28          2HD       LYS  28 -16.256  -0.179  -8.017
  244   2HD   LYS  28          1HD       LYS  28 -15.813   1.255  -7.097
  245   1HE   LYS  28          2HE       LYS  28 -18.113   1.291  -9.074
  246   2HE   LYS  28          1HE       LYS  28 -18.334   0.851  -7.368
  247   1HZ   LYS  28          1HZ       LYS  28 -17.126   3.361  -8.404
  248   2HZ   LYS  28          2HZ       LYS  28 -17.174   2.920  -6.764
  249   3HZ   LYS  28          3HZ       LYS  28 -18.618   3.217  -7.611
  250    H    SER  29           H        SER  29 -14.680  -1.166 -12.125
  251    HA   SER  29           HA       SER  29 -15.721  -0.875 -14.753
  252   1HB   SER  29          2HB       SER  29 -13.343  -1.295 -14.032
  253   2HB   SER  29          1HB       SER  29 -13.783  -2.972 -13.719
  254    HG   SER  29           HG       SER  29 -14.189  -3.258 -15.866
  255    H    GLU  30           H        GLU  30 -16.232  -3.379 -12.351
  256    HA   GLU  30           HA       GLU  30 -17.750  -5.031 -14.331
  257   1HB   GLU  30          2HB       GLU  30 -16.031  -5.503 -11.977
  258   2HB   GLU  30          1HB       GLU  30 -17.489  -6.493 -12.013
  259   1HG   GLU  30          2HG       GLU  30 -15.691  -6.216 -14.426
  260   2HG   GLU  30          1HG       GLU  30 -15.422  -7.454 -13.198
  261    H    HIS  31           H        HIS  31 -17.896  -3.813 -10.974
  262    HA   HIS  31           HA       HIS  31 -20.853  -4.198 -10.964
  263   1HB   HIS  31          2HB       HIS  31 -19.099  -3.391  -8.630
  264   2HB   HIS  31          1HB       HIS  31 -20.665  -4.191  -8.589
  265    HD1  HIS  31           1HD      HIS  31 -17.021  -4.842  -9.212
  266    HD2  HIS  31           2HD      HIS  31 -20.570  -7.014  -8.963
  267    HE1  HIS  31           1HE      HIS  31 -16.360  -7.280  -9.145
  268    HA   PRO  32           HA       PRO  32 -20.634   0.310 -11.458
  269   1HB   PRO  32          2HB       PRO  32 -23.060   0.592 -12.689
  270   2HB   PRO  32          1HB       PRO  32 -21.580   0.147 -13.550
  271   1HG   PRO  32          2HG       PRO  32 -23.890  -1.513 -12.824
  272   2HG   PRO  32          1HG       PRO  32 -22.705  -1.718 -14.119
  273   1HD   PRO  32          2HD       PRO  32 -22.785  -3.102 -11.668
  274   2HD   PRO  32          1HD       PRO  32 -21.500  -3.145 -12.890
  275    H    GLY  33           H        GLY  33 -23.500  -1.541 -10.442
  276   1HA   GLY  33          2HA       GLY  33 -24.737   0.570  -8.948
  277   2HA   GLY  33          1HA       GLY  33 -25.049  -1.153  -8.736
  278    H    LEU  34           H        LEU  34 -22.063  -1.563  -8.279
  279    HA   LEU  34           HA       LEU  34 -21.959  -1.711  -5.477
  280   1HB   LEU  34          2HB       LEU  34 -20.216  -1.988  -7.759
  281   2HB   LEU  34          1HB       LEU  34 -19.341  -1.155  -6.480
  282    HG   LEU  34           HG       LEU  34 -19.107  -3.634  -6.357
  283   1HD1  LEU  34          1HD1      LEU  34 -20.249  -3.653  -3.892
  284   2HD1  LEU  34          2HD1      LEU  34 -20.195  -1.918  -4.207
  285   3HD1  LEU  34          3HD1      LEU  34 -18.711  -2.869  -4.251
  286   1HD2  LEU  34          1HD2      LEU  34 -20.883  -5.058  -6.332
  287   2HD2  LEU  34          2HD2      LEU  34 -21.777  -3.696  -7.008
  288   3HD2  LEU  34          3HD2      LEU  34 -21.829  -4.010  -5.274
  289    H    SER  35           H        SER  35 -22.779   0.258  -4.528
  290    HA   SER  35           HA       SER  35 -21.609   2.868  -5.077
  291   1HB   SER  35          2HB       SER  35 -23.305   1.783  -2.804
  292   2HB   SER  35          1HB       SER  35 -22.993   3.492  -3.092
  293    HG   SER  35           HG       SER  35 -24.989   2.499  -4.012
  294    H    ILE  36           H        ILE  36 -20.691   4.115  -3.034
  295    HA   ILE  36           HA       ILE  36 -18.195   2.952  -2.292
  296    HB   ILE  36           HB       ILE  36 -19.869   5.258  -1.271
  297   1HG1  ILE  36          2HG1      ILE  36 -17.659   6.381  -2.207
  298   2HG1  ILE  36          1HG1      ILE  36 -17.498   4.850  -3.067
  299   1HG2  ILE  36          1HG2      ILE  36 -17.205   4.251  -0.243
  300   2HG2  ILE  36          2HG2      ILE  36 -18.634   4.697   0.688
  301   3HG2  ILE  36          3HG2      ILE  36 -17.669   5.947  -0.099
  302   1HD1  ILE  36          1HD1      ILE  36 -18.785   6.775  -4.238
  303   2HD1  ILE  36          2HD1      ILE  36 -20.092   6.383  -3.120
  304   3HD1  ILE  36          3HD1      ILE  36 -19.507   5.166  -4.254
  305    H    GLY  37           H        GLY  37 -21.370   2.863  -0.739
  306   1HA   GLY  37          2HA       GLY  37 -20.590   1.918   1.833
  307   2HA   GLY  37          1HA       GLY  37 -22.151   1.589   1.076
  308    H    ASP  38           H        ASP  38 -21.830  -0.028  -0.904
  309    HA   ASP  38           HA       ASP  38 -20.912  -2.550   0.210
  310   1HB   ASP  38          2HB       ASP  38 -22.790  -1.951  -1.510
  311   2HB   ASP  38          1HB       ASP  38 -21.488  -2.000  -2.698
  312    H    THR  39           H        THR  39 -19.579  -0.229  -2.133
  313    HA   THR  39           HA       THR  39 -17.401  -1.878  -3.055
  314    HB   THR  39           HB       THR  39 -17.730   1.130  -2.853
  315    HG1  THR  39           1HG      THR  39 -19.284   0.095  -4.130
  316   1HG2  THR  39          1HG2      THR  39 -15.395   0.685  -3.174
  317   2HG2  THR  39          2HG2      THR  39 -16.048   1.092  -4.761
  318   3HG2  THR  39          3HG2      THR  39 -15.737  -0.593  -4.340
  319    H    ALA  40           H        ALA  40 -17.862   0.149  -0.224
  320    HA   ALA  40           HA       ALA  40 -15.060   0.194   0.576
  321   1HB   ALA  40          1HB       ALA  40 -16.070   1.093   2.683
  322   2HB   ALA  40          2HB       ALA  40 -17.668   0.702   2.047
  323   3HB   ALA  40          3HB       ALA  40 -16.670   1.914   1.243
  324    H    LYS  41           H        LYS  41 -17.894  -1.800   1.405
  325    HA   LYS  41           HA       LYS  41 -16.265  -3.410   3.276
  326   1HB   LYS  41          2HB       LYS  41 -18.419  -4.326   3.944
  327   2HB   LYS  41          1HB       LYS  41 -18.537  -2.573   3.856
  328   1HG   LYS  41          2HG       LYS  41 -19.448  -2.867   1.507
  329   2HG   LYS  41          1HG       LYS  41 -19.537  -4.593   1.836
  330   1HD   LYS  41          2HD       LYS  41 -21.702  -3.695   2.342
  331   2HD   LYS  41          1HD       LYS  41 -20.918  -4.012   3.890
  332   1HE   LYS  41          2HE       LYS  41 -20.092  -1.436   3.393
  333   2HE   LYS  41          1HE       LYS  41 -21.726  -1.434   2.698
  334   1HZ   LYS  41          1HZ       LYS  41 -21.017  -2.476   5.391
  335   2HZ   LYS  41          2HZ       LYS  41 -22.576  -2.418   4.718
  336   3HZ   LYS  41          3HZ       LYS  41 -21.756  -0.978   5.096
  337    H    LYS  42           H        LYS  42 -17.252  -3.585  -0.044
  338    HA   LYS  42           HA       LYS  42 -17.244  -6.529  -0.163
  339   1HB   LYS  42          2HB       LYS  42 -18.673  -4.913  -1.505
  340   2HB   LYS  42          1HB       LYS  42 -17.218  -4.477  -2.398
  341   1HG   LYS  42          2HG       LYS  42 -18.225  -6.140  -3.718
  342   2HG   LYS  42          1HG       LYS  42 -17.005  -7.037  -2.806
  343   1HD   LYS  42          2HD       LYS  42 -19.554  -6.799  -1.365
  344   2HD   LYS  42          1HD       LYS  42 -19.719  -7.638  -2.903
  345   1HE   LYS  42          2HE       LYS  42 -17.325  -8.536  -1.526
  346   2HE   LYS  42          1HE       LYS  42 -18.752  -8.733  -0.496
  347   1HZ   LYS  42          1HZ       LYS  42 -19.907  -9.703  -2.440
  348   2HZ   LYS  42          2HZ       LYS  42 -18.589 -10.639  -1.914
  349   3HZ   LYS  42          3HZ       LYS  42 -18.444  -9.665  -3.299
  350    H    LEU  43           H        LEU  43 -14.789  -4.347   0.235
  351    HA   LEU  43           HA       LEU  43 -12.918  -5.713  -1.650
  352   1HB   LEU  43          2HB       LEU  43 -12.893  -3.099  -0.120
  353   2HB   LEU  43          1HB       LEU  43 -11.480  -3.707  -0.984
  354    HG   LEU  43           HG       LEU  43 -14.186  -3.315  -2.287
  355   1HD1  LEU  43          1HD1      LEU  43 -13.241  -1.159  -1.482
  356   2HD1  LEU  43          2HD1      LEU  43 -13.258  -1.257  -3.243
  357   3HD1  LEU  43          3HD1      LEU  43 -11.751  -1.506  -2.360
  358   1HD2  LEU  43          1HD2      LEU  43 -12.440  -3.221  -4.291
  359   2HD2  LEU  43          2HD2      LEU  43 -13.020  -4.767  -3.672
  360   3HD2  LEU  43          3HD2      LEU  43 -11.446  -4.149  -3.169
  361    H    GLY  44           H        GLY  44 -13.522  -4.914   1.742
  362   1HA   GLY  44          2HA       GLY  44 -11.047  -5.873   2.820
  363   2HA   GLY  44          1HA       GLY  44 -12.550  -5.703   3.726
  364    H    GLU  45           H        GLU  45 -14.060  -7.495   1.952
  365    HA   GLU  45           HA       GLU  45 -13.834  -9.960   3.272
  366   1HB   GLU  45          2HB       GLU  45 -15.629  -9.051   1.691
  367   2HB   GLU  45          1HB       GLU  45 -14.612  -9.617   0.366
  368   1HG   GLU  45          2HG       GLU  45 -14.738 -11.898   1.152
  369   2HG   GLU  45          1HG       GLU  45 -15.554 -11.394   2.632
  370    H    MET  46           H        MET  46 -12.062  -8.828   0.419
  371    HA   MET  46           HA       MET  46 -10.747 -11.440   0.007
  372   1HB   MET  46          2HB       MET  46 -10.422  -8.693  -1.249
  373   2HB   MET  46          1HB       MET  46  -9.660 -10.168  -1.844
  374   1HG   MET  46          2HG       MET  46 -11.865 -11.181  -2.217
  375   2HG   MET  46          1HG       MET  46 -12.650  -9.737  -1.577
  376   1HE   MET  46          1HE       MET  46 -13.681  -8.792  -4.997
  377   2HE   MET  46          2HE       MET  46 -13.916  -8.528  -3.271
  378   3HE   MET  46          3HE       MET  46 -13.955 -10.166  -3.918
  379    H    TRP  47           H        TRP  47  -9.900  -8.164   1.131
  380    HA   TRP  47           HA       TRP  47  -7.109  -8.476   1.478
  381   1HB   TRP  47          2HB       TRP  47  -8.495  -6.390   1.685
  382   2HB   TRP  47          1HB       TRP  47  -9.052  -6.969   3.255
  383    HD1  TRP  47           HD       TRP  47  -7.628  -6.305   5.254
  384    HE1  TRP  47           1HE      TRP  47  -5.233  -5.414   5.597
  385    HE3  TRP  47           3HE      TRP  47  -5.903  -6.543   0.455
  386    HZ2  TRP  47           2HZ      TRP  47  -2.894  -4.873   4.039
  387    HZ3  TRP  47           3HZ      TRP  47  -3.591  -5.836  -0.088
  388    HH2  TRP  47           HH       TRP  47  -2.085  -5.002   1.696
  389    H    SER  48           H        SER  48  -9.748  -9.811   3.371
  390    HA   SER  48           HA       SER  48  -8.054 -10.448   5.692
  391   1HB   SER  48          2HB       SER  48 -10.497  -9.840   5.762
  392   2HB   SER  48          1HB       SER  48 -10.850 -11.352   4.931
  393    HG   SER  48           HG       SER  48 -10.850 -11.213   7.388
  394    H    GLU  49           H        GLU  49  -9.441 -12.112   2.880
  395    HA   GLU  49           HA       GLU  49  -8.792 -14.802   3.629
  396   1HB   GLU  49          2HB       GLU  49  -9.170 -13.337   1.007
  397   2HB   GLU  49          1HB       GLU  49  -8.885 -15.077   1.068
  398   1HG   GLU  49          2HG       GLU  49 -10.838 -15.135   2.766
  399   2HG   GLU  49          1HG       GLU  49 -11.221 -13.519   2.173
  400    H    GLN  50           H        GLN  50  -6.918 -12.226   2.106
  401    HA   GLN  50           HA       GLN  50  -4.676 -13.792   1.227
  402   1HB   GLN  50          2HB       GLN  50  -4.967 -10.900   2.105
  403   2HB   GLN  50          1HB       GLN  50  -3.553 -11.542   1.267
  404   1HG   GLN  50          2HG       GLN  50  -6.287 -11.962   0.093
  405   2HG   GLN  50          1HG       GLN  50  -5.472 -10.412  -0.127
  406   1HE2  GLN  50          1HE2      GLN  50  -4.413 -10.391  -2.109
  407   2HE2  GLN  50          2HE2      GLN  50  -3.580 -11.705  -2.787
  408    H    SER  51           H        SER  51  -2.673 -14.180   2.273
  409    HA   SER  51           HA       SER  51  -2.776 -14.086   5.260
  410   1HB   SER  51          2HB       SER  51  -0.972 -15.653   3.389
  411   2HB   SER  51          1HB       SER  51  -1.203 -15.933   5.113
  412    HG   SER  51           HG       SER  51  -3.193 -16.711   4.729
  413    H    ALA  52           H        ALA  52   0.125 -14.450   5.468
  414    HA   ALA  52           HA       ALA  52   0.948 -11.639   5.305
  415   1HB   ALA  52          1HB       ALA  52   1.496 -13.135   7.200
  416   2HB   ALA  52          2HB       ALA  52   2.967 -12.543   6.426
  417   3HB   ALA  52          3HB       ALA  52   2.402 -14.184   6.109
  418    H    LYS  53           H        LYS  53   0.502 -12.183   2.724
  419    HA   LYS  53           HA       LYS  53   3.233 -12.567   1.556
  420   1HB   LYS  53          2HB       LYS  53   1.284 -14.456   1.483
  421   2HB   LYS  53          1HB       LYS  53   0.871 -13.535   0.036
  422   1HG   LYS  53          2HG       LYS  53   3.006 -13.904  -0.941
  423   2HG   LYS  53          1HG       LYS  53   3.695 -14.457   0.587
  424   1HD   LYS  53          2HD       LYS  53   2.018 -16.375   0.504
  425   2HD   LYS  53          1HD       LYS  53   1.678 -15.888  -1.156
  426   1HE   LYS  53          2HE       LYS  53   3.949 -16.313  -1.839
  427   2HE   LYS  53          1HE       LYS  53   4.472 -16.528  -0.156
  428   1HZ   LYS  53          1HZ       LYS  53   4.030 -18.665  -1.235
  429   2HZ   LYS  53          2HZ       LYS  53   2.429 -18.185  -1.543
  430   3HZ   LYS  53          3HZ       LYS  53   2.964 -18.391   0.056
  431    H    ASP  54           H        ASP  54  -0.125 -11.561   0.796
  432    HA   ASP  54           HA       ASP  54   0.618  -9.857  -1.420
  433   1HB   ASP  54          2HB       ASP  54  -1.626 -10.968  -0.822
  434   2HB   ASP  54          1HB       ASP  54  -1.849  -9.638   0.317
  435    H    LYS  55           H        LYS  55   0.367  -9.334   2.063
  436    HA   LYS  55           HA       LYS  55   0.387  -6.417   1.866
  437   1HB   LYS  55          2HB       LYS  55  -0.648  -7.765   3.703
  438   2HB   LYS  55          1HB       LYS  55   0.967  -8.276   4.193
  439   1HG   LYS  55          2HG       LYS  55   1.598  -6.061   4.792
  440   2HG   LYS  55          1HG       LYS  55   0.214  -5.359   3.954
  441   1HD   LYS  55          2HD       LYS  55  -0.450  -5.301   6.209
  442   2HD   LYS  55          1HD       LYS  55  -1.217  -6.771   5.606
  443   1HE   LYS  55          2HE       LYS  55   0.392  -8.175   6.644
  444   2HE   LYS  55          1HE       LYS  55   1.526  -6.831   6.886
  445   1HZ   LYS  55          1HZ       LYS  55   0.311  -7.313   8.927
  446   2HZ   LYS  55          2HZ       LYS  55  -1.166  -7.070   8.125
  447   3HZ   LYS  55          3HZ       LYS  55  -0.090  -5.773   8.340
  448    H    GLN  56           H        GLN  56   2.793  -8.962   2.512
  449    HA   GLN  56           HA       GLN  56   5.005  -7.603   3.434
  450   1HB   GLN  56          2HB       GLN  56   4.471  -9.911   1.673
  451   2HB   GLN  56          1HB       GLN  56   6.106  -9.262   1.552
  452   1HG   GLN  56          2HG       GLN  56   4.810  -9.850   4.219
  453   2HG   GLN  56          1HG       GLN  56   5.725 -11.070   3.332
  454   1HE2  GLN  56          1HE2      GLN  56   8.055 -10.603   2.919
  455   2HE2  GLN  56          2HE2      GLN  56   8.887  -9.512   3.919
  456    HA   PRO  57           HA       PRO  57   6.362  -6.069  -0.863
  457   1HB   PRO  57          2HB       PRO  57   4.717  -6.369  -3.011
  458   2HB   PRO  57          1HB       PRO  57   5.878  -7.612  -2.505
  459   1HG   PRO  57          2HG       PRO  57   2.952  -7.476  -2.088
  460   2HG   PRO  57          1HG       PRO  57   3.981  -8.882  -2.391
  461   1HD   PRO  57          2HD       PRO  57   2.986  -8.155   0.078
  462   2HD   PRO  57          1HD       PRO  57   4.417  -9.176  -0.179
  463    H    TYR  58           H        TYR  58   2.830  -5.818  -0.482
  464    HA   TYR  58           HA       TYR  58   2.709  -3.103  -1.569
  465   1HB   TYR  58          2HB       TYR  58   0.989  -5.276  -1.057
  466   2HB   TYR  58          1HB       TYR  58   0.407  -3.981  -0.016
  467    HD1  TYR  58           1HD      TYR  58   1.297  -4.837  -3.527
  468    HD2  TYR  58           2HD      TYR  58  -0.735  -2.092  -0.922
  469    HE1  TYR  58           1HE      TYR  58   0.258  -3.741  -5.494
  470    HE2  TYR  58           2HE      TYR  58  -1.773  -0.996  -2.890
  471    HH   TYR  58           HH       TYR  58  -0.788  -1.029  -5.744
  472    H    GLU  59           H        GLU  59   3.378  -4.396   1.563
  473    HA   GLU  59           HA       GLU  59   2.342  -2.102   3.071
  474   1HB   GLU  59          2HB       GLU  59   3.227  -3.330   4.977
  475   2HB   GLU  59          1HB       GLU  59   2.441  -4.467   3.890
  476   1HG   GLU  59          2HG       GLU  59   4.365  -5.657   3.972
  477   2HG   GLU  59          1HG       GLU  59   5.046  -4.405   2.938
  478    H    GLN  60           H        GLN  60   5.389  -2.988   1.588
  479    HA   GLN  60           HA       GLN  60   6.993  -1.073   3.110
  480   1HB   GLN  60          2HB       GLN  60   8.736  -1.753   1.472
  481   2HB   GLN  60          1HB       GLN  60   7.930  -3.143   2.196
  482   1HG   GLN  60          2HG       GLN  60   6.716  -3.614   0.250
  483   2HG   GLN  60          1HG       GLN  60   6.918  -1.985  -0.392
  484   1HE2  GLN  60          1HE2      GLN  60   8.406  -1.910  -2.071
  485   2HE2  GLN  60          2HE2      GLN  60   9.759  -2.923  -2.227
  486    H    LYS  61           H        LYS  61   5.002  -0.935   0.253
  487    HA   LYS  61           HA       LYS  61   6.245   1.244  -1.127
  488   1HB   LYS  61          2HB       LYS  61   4.503  -0.246  -2.055
  489   2HB   LYS  61          1HB       LYS  61   3.334   0.395  -0.901
  490   1HG   LYS  61          2HG       LYS  61   3.347   2.544  -1.923
  491   2HG   LYS  61          1HG       LYS  61   4.805   2.181  -2.847
  492   1HD   LYS  61          2HD       LYS  61   3.336   0.239  -3.850
  493   2HD   LYS  61          1HD       LYS  61   1.991   1.244  -3.306
  494   1HE   LYS  61          2HE       LYS  61   4.253   2.371  -4.978
  495   2HE   LYS  61          1HE       LYS  61   2.787   1.679  -5.704
  496   1HZ   LYS  61          1HZ       LYS  61   2.858   3.833  -3.655
  497   2HZ   LYS  61          2HZ       LYS  61   1.452   3.149  -4.321
  498   3HZ   LYS  61          3HZ       LYS  61   2.508   4.051  -5.300
  499    H    ALA  62           H        ALA  62   3.605   1.235   1.300
  500    HA   ALA  62           HA       ALA  62   3.582   4.166   1.439
  501   1HB   ALA  62          1HB       ALA  62   2.057   3.403   3.488
  502   2HB   ALA  62          2HB       ALA  62   2.159   1.837   2.684
  503   3HB   ALA  62          3HB       ALA  62   1.488   3.225   1.828
  504    H    ALA  63           H        ALA  63   5.441   1.647   2.886
  505    HA   ALA  63           HA       ALA  63   5.940   2.742   5.489
  506   1HB   ALA  63          1HB       ALA  63   6.518   0.448   4.734
  507   2HB   ALA  63          2HB       ALA  63   7.939   1.280   5.365
  508   3HB   ALA  63          3HB       ALA  63   7.711   1.120   3.623
  509    H    LYS  64           H        LYS  64   7.147   3.518   2.267
  510    HA   LYS  64           HA       LYS  64   9.347   5.206   3.221
  511   1HB   LYS  64          2HB       LYS  64   9.569   4.026   1.144
  512   2HB   LYS  64          1HB       LYS  64   8.008   4.603   0.588
  513   1HG   LYS  64          2HG       LYS  64   8.928   6.451  -0.300
  514   2HG   LYS  64          1HG       LYS  64   9.704   6.856   1.233
  515   1HD   LYS  64          2HD       LYS  64  11.468   6.560  -0.371
  516   2HD   LYS  64          1HD       LYS  64  11.480   5.134   0.667
  517   1HE   LYS  64          2HE       LYS  64  10.486   3.768  -0.995
  518   2HE   LYS  64          1HE       LYS  64   9.919   5.168  -1.926
  519   1HZ   LYS  64          1HZ       LYS  64  12.744   4.364  -1.472
  520   2HZ   LYS  64          2HZ       LYS  64  12.269   5.815  -2.218
  521   3HZ   LYS  64          3HZ       LYS  64  11.907   4.323  -2.947
  522    H    LEU  65           H        LEU  65   6.508   5.939   1.185
  523    HA   LEU  65           HA       LEU  65   6.429   8.707   1.396
  524   1HB   LEU  65          2HB       LEU  65   4.292   6.587   1.204
  525   2HB   LEU  65          1HB       LEU  65   3.884   8.302   1.136
  526    HG   LEU  65           HG       LEU  65   5.962   8.217  -0.628
  527   1HD1  LEU  65          1HD1      LEU  65   6.384   5.944  -0.817
  528   2HD1  LEU  65          2HD1      LEU  65   5.164   6.140  -2.075
  529   3HD1  LEU  65          3HD1      LEU  65   4.708   5.500  -0.496
  530   1HD2  LEU  65          1HD2      LEU  65   3.027   7.665  -1.180
  531   2HD2  LEU  65          2HD2      LEU  65   4.195   8.185  -2.395
  532   3HD2  LEU  65          3HD2      LEU  65   3.786   9.252  -1.052
  533    H    LYS  66           H        LYS  66   5.611   6.431   3.950
  534    HA   LYS  66           HA       LYS  66   3.936   8.142   5.548
  535   1HB   LYS  66          2HB       LYS  66   4.216   5.671   5.782
  536   2HB   LYS  66          1HB       LYS  66   5.860   5.937   6.363
  537   1HG   LYS  66          2HG       LYS  66   4.607   5.744   8.350
  538   2HG   LYS  66          1HG       LYS  66   4.755   7.488   8.128
  539   1HD   LYS  66          2HD       LYS  66   2.540   7.719   7.411
  540   2HD   LYS  66          1HD       LYS  66   2.411   6.021   6.947
  541   1HE   LYS  66          2HE       LYS  66   2.798   5.579   9.520
  542   2HE   LYS  66          1HE       LYS  66   2.220   7.250   9.685
  543   1HZ   LYS  66          1HZ       LYS  66   0.346   5.744   9.686
  544   2HZ   LYS  66          2HZ       LYS  66   0.854   5.053   8.219
  545   3HZ   LYS  66          3HZ       LYS  66   0.325   6.667   8.263
  546    H    GLU  67           H        GLU  67   7.448   7.522   5.571
  547    HA   GLU  67           HA       GLU  67   8.088   9.302   7.739
  548   1HB   GLU  67          2HB       GLU  67   9.558   7.999   5.454
  549   2HB   GLU  67          1HB       GLU  67  10.397   9.135   6.512
  550   1HG   GLU  67          2HG       GLU  67   9.687   7.782   8.478
  551   2HG   GLU  67          1HG       GLU  67   8.950   6.616   7.379
  552    H    LYS  68           H        LYS  68   8.498   9.734   4.196
  553    HA   LYS  68           HA       LYS  68   9.347  12.436   4.219
  554   1HB   LYS  68          2HB       LYS  68   7.822  10.694   2.281
  555   2HB   LYS  68          1HB       LYS  68   8.235  12.360   1.870
  556   1HG   LYS  68          2HG       LYS  68  10.623  11.865   2.325
  557   2HG   LYS  68          1HG       LYS  68  10.196  10.189   2.675
  558   1HD   LYS  68          2HD       LYS  68   9.580   9.753   0.441
  559   2HD   LYS  68          1HD       LYS  68   9.426  11.467   0.055
  560   1HE   LYS  68          2HE       LYS  68  11.777  11.786  -0.008
  561   2HE   LYS  68          1HE       LYS  68  12.087  10.267   0.858
  562   1HZ   LYS  68          1HZ       LYS  68  12.420  10.002  -1.534
  563   2HZ   LYS  68          2HZ       LYS  68  10.819  10.494  -1.822
  564   3HZ   LYS  68          3HZ       LYS  68  11.129   9.047  -0.988
  565    H    TYR  69           H        TYR  69   6.113  11.074   4.530
  566    HA   TYR  69           HA       TYR  69   4.680  13.577   4.119
  567   1HB   TYR  69          2HB       TYR  69   4.134  10.770   4.981
  568   2HB   TYR  69          1HB       TYR  69   2.947  11.989   5.427
  569    HD1  TYR  69           1HD      TYR  69   5.100  11.544   2.377
  570    HD2  TYR  69           2HD      TYR  69   1.131  11.880   3.983
  571    HE1  TYR  69           1HE      TYR  69   4.167  11.508   0.080
  572    HE2  TYR  69           2HE      TYR  69   0.197  11.845   1.686
  573    HH   TYR  69           HH       TYR  69   1.414  12.559  -0.801
  574    H    GLU  70           H        GLU  70   4.775  11.532   7.033
  575    HA   GLU  70           HA       GLU  70   3.968  13.411   8.943
  576   1HB   GLU  70          2HB       GLU  70   5.740  10.991   8.939
  577   2HB   GLU  70          1HB       GLU  70   5.568  11.918  10.430
  578   1HG   GLU  70          2HG       GLU  70   3.140  11.079   8.855
  579   2HG   GLU  70          1HG       GLU  70   3.899   9.971   9.999
  580    H    LYS  71           H        LYS  71   7.159  13.080   7.477
  581    HA   LYS  71           HA       LYS  71   8.454  14.902   9.388
  582   1HB   LYS  71          2HB       LYS  71   9.480  12.905   8.177
  583   2HB   LYS  71          1HB       LYS  71   9.438  13.885   6.711
  584   1HG   LYS  71          2HG       LYS  71  10.691  15.671   8.084
  585   2HG   LYS  71          1HG       LYS  71  11.002  14.380   9.244
  586   1HD   LYS  71          2HD       LYS  71  11.631  14.062   6.307
  587   2HD   LYS  71          1HD       LYS  71  12.792  14.762   7.436
  588   1HE   LYS  71          2HE       LYS  71  11.483  12.138   8.121
  589   2HE   LYS  71          1HE       LYS  71  12.861  12.169   7.002
  590   1HZ   LYS  71          1HZ       LYS  71  12.793  13.439   9.690
  591   2HZ   LYS  71          2HZ       LYS  71  14.106  13.463   8.612
  592   3HZ   LYS  71          3HZ       LYS  71  13.603  11.997   9.309
  593    H    ASP  72           H        ASP  72   7.906  15.013   5.844
  594    HA   ASP  72           HA       ASP  72   8.575  17.780   5.538
  595   1HB   ASP  72          2HB       ASP  72   8.384  15.878   3.820
  596   2HB   ASP  72          1HB       ASP  72   6.649  16.196   3.828
  597    H    ILE  73           H        ILE  73   5.527  16.185   6.378
  598    HA   ILE  73           HA       ILE  73   3.837  18.485   5.887
  599    HB   ILE  73           HB       ILE  73   3.225  16.008   6.022
  600   1HG1  ILE  73          2HG1      ILE  73   1.021  16.511   7.170
  601   2HG1  ILE  73          1HG1      ILE  73   1.683  18.095   7.577
  602   1HG2  ILE  73          1HG2      ILE  73   2.855  14.975   8.126
  603   2HG2  ILE  73          2HG2      ILE  73   3.027  16.499   8.995
  604   3HG2  ILE  73          3HG2      ILE  73   4.440  15.733   8.274
  605   1HD1  ILE  73          1HD1      ILE  73   1.580  17.021   4.748
  606   2HD1  ILE  73          2HD1      ILE  73   1.949  18.669   5.256
  607   3HD1  ILE  73          3HD1      ILE  73   0.314  18.033   5.444
  608    H    ALA  74           H        ALA  74   5.612  17.290   8.713
  609    HA   ALA  74           HA       ALA  74   4.475  18.962  10.723
  610   1HB   ALA  74          1HB       ALA  74   6.530  18.428  11.933
  611   2HB   ALA  74          2HB       ALA  74   7.346  18.016  10.424
  612   3HB   ALA  74          3HB       ALA  74   6.026  17.008  11.018
  613    H    ALA  75           H        ALA  75   7.348  19.503   8.658
  614    HA   ALA  75           HA       ALA  75   7.751  22.230   9.625
  615   1HB   ALA  75          1HB       ALA  75   9.499  20.608   8.778
  616   2HB   ALA  75          2HB       ALA  75   9.567  22.201   8.024
  617   3HB   ALA  75          3HB       ALA  75   8.844  20.846   7.158
  618    H    TYR  76           H        TYR  76   5.623  20.818   7.321
  619    HA   TYR  76           HA       TYR  76   5.509  23.127   5.508
  620   1HB   TYR  76          2HB       TYR  76   5.146  20.748   4.836
  621   2HB   TYR  76          1HB       TYR  76   3.700  20.708   5.846
  622    HD1  TYR  76           1HD      TYR  76   1.634  21.381   4.954
  623    HD2  TYR  76           2HD      TYR  76   5.270  22.637   3.044
  624    HE1  TYR  76           1HE      TYR  76   0.318  22.377   3.104
  625    HE2  TYR  76           2HE      TYR  76   3.955  23.632   1.193
  626    HH   TYR  76           HH       TYR  76   1.343  24.579   1.098
  627    H    ARG  77           H        ARG  77   3.764  21.913   8.323
  628    HA   ARG  77           HA       ARG  77   1.553  23.835   8.027
  629   1HB   ARG  77          2HB       ARG  77   2.386  21.819  10.130
  630   2HB   ARG  77          1HB       ARG  77   0.905  22.773  10.228
  631   1HG   ARG  77          2HG       ARG  77   0.046  21.798   8.204
  632   2HG   ARG  77          1HG       ARG  77   1.592  21.023   7.856
  633   1HD   ARG  77          2HD       ARG  77   1.304  19.394   9.511
  634   2HD   ARG  77          1HD       ARG  77   0.174  20.401  10.440
  635    HE   ARG  77           HE       ARG  77  -0.593  19.403   7.730
  636   1HH1  ARG  77          1HH2      ARG  77  -2.327  21.077   9.660
  637   2HH1  ARG  77          2HH2      ARG  77  -3.383  19.849  10.276
  638   1HH2  ARG  77          1HH1      ARG  77  -1.421  17.222   9.150
  639   2HH2  ARG  77          2HH1      ARG  77  -2.870  17.667   9.987
  640    H    ALA  78           H        ALA  78   4.694  24.324   8.908
  641    HA   ALA  78           HA       ALA  78   5.805  25.901  10.268
  642   1HB   ALA  78          1HB       ALA  78   4.748  28.029  10.206
  643   2HB   ALA  78          2HB       ALA  78   3.135  27.317  10.242
  644   3HB   ALA  78          3HB       ALA  78   4.125  27.185   8.789
  645    H    LYS  79           H        LYS  79   5.956  24.529  12.176
  646    HA   LYS  79           HA       LYS  79   3.983  25.230  14.330
  647   1HB   LYS  79          2HB       LYS  79   4.404  22.789  13.165
  648   2HB   LYS  79          1HB       LYS  79   5.528  22.712  14.522
  649   1HG   LYS  79          2HG       LYS  79   3.595  21.951  15.551
  650   2HG   LYS  79          1HG       LYS  79   3.454  23.679  15.865
  651   1HD   LYS  79          2HD       LYS  79   2.272  23.575  13.439
  652   2HD   LYS  79          1HD       LYS  79   1.884  21.956  14.022
  653   1HE   LYS  79          2HE       LYS  79   1.051  23.049  16.170
  654   2HE   LYS  79          1HE       LYS  79   1.186  24.604  15.323
  655   1HZ   LYS  79          1HZ       LYS  79  -1.019  23.620  15.028
  656   2HZ   LYS  79          2HZ       LYS  79  -0.318  22.234  14.340
  657   3HZ   LYS  79          3HZ       LYS  79  -0.196  23.734  13.551
  Start of MODEL   15
    1   1H    MET   1          1HT       MET   1 -12.077  14.643  -4.338
    2   2H    MET   1          2HT       MET   1 -11.948  14.433  -6.018
    3   3H    MET   1          3HT       MET   1 -10.640  15.061  -5.137
    4    HA   MET   1           HA       MET   1 -11.728  12.321  -4.736
    5   1HB   MET   1          2HB       MET   1 -10.789  12.970  -7.044
    6   2HB   MET   1          1HB       MET   1  -9.235  13.159  -6.230
    7   1HG   MET   1          2HG       MET   1  -9.186  10.925  -6.980
    8   2HG   MET   1          1HG       MET   1  -9.677  10.780  -5.292
    9   1HE   MET   1          1HE       MET   1 -10.353   9.680  -8.784
   10   2HE   MET   1          2HE       MET   1 -10.922  11.345  -8.875
   11   3HE   MET   1          3HE       MET   1 -12.062  10.020  -9.091
   12    H    LYS   2           H        LYS   2 -11.105  14.186  -2.646
   13    HA   LYS   2           HA       LYS   2  -9.754  14.403  -0.719
   14   1HB   LYS   2          2HB       LYS   2  -9.541  11.584  -1.693
   15   2HB   LYS   2          1HB       LYS   2  -8.453  12.082  -0.396
   16   1HG   LYS   2          2HG       LYS   2 -10.294  11.385   0.838
   17   2HG   LYS   2          1HG       LYS   2 -10.665  13.099   0.640
   18   1HD   LYS   2          2HD       LYS   2 -12.671  11.991   0.034
   19   2HD   LYS   2          1HD       LYS   2 -11.913  12.392  -1.507
   20   1HE   LYS   2          2HE       LYS   2 -10.802   9.926  -0.941
   21   2HE   LYS   2          1HE       LYS   2 -12.458   9.763  -0.321
   22   1HZ   LYS   2          1HZ       LYS   2 -12.434   9.269  -2.670
   23   2HZ   LYS   2          2HZ       LYS   2 -11.676  10.750  -3.014
   24   3HZ   LYS   2          3HZ       LYS   2 -13.265  10.724  -2.414
   25    H    LYS   3           H        LYS   3  -8.302  16.033  -1.518
   26    HA   LYS   3           HA       LYS   3  -5.525  15.245  -1.674
   27   1HB   LYS   3          2HB       LYS   3  -6.517  14.670  -3.948
   28   2HB   LYS   3          1HB       LYS   3  -6.775  16.400  -4.180
   29   1HG   LYS   3          2HG       LYS   3  -4.380  16.824  -3.914
   30   2HG   LYS   3          1HG       LYS   3  -4.092  15.114  -3.591
   31   1HD   LYS   3          2HD       LYS   3  -5.022  14.580  -5.852
   32   2HD   LYS   3          1HD       LYS   3  -5.139  16.311  -6.171
   33   1HE   LYS   3          2HE       LYS   3  -2.698  16.546  -5.838
   34   2HE   LYS   3          1HE       LYS   3  -2.577  14.802  -5.532
   35   1HZ   LYS   3          1HZ       LYS   3  -3.575  14.383  -7.690
   36   2HZ   LYS   3          2HZ       LYS   3  -2.161  15.309  -7.868
   37   3HZ   LYS   3          3HZ       LYS   3  -3.687  16.048  -7.993
   38    H    LYS   4           H        LYS   4  -5.095  16.860  -0.145
   39    HA   LYS   4           HA       LYS   4  -6.180  19.488  -0.092
   40   1HB   LYS   4          2HB       LYS   4  -3.667  18.175   0.941
   41   2HB   LYS   4          1HB       LYS   4  -3.983  19.885   1.242
   42   1HG   LYS   4          2HG       LYS   4  -5.936  19.428   2.489
   43   2HG   LYS   4          1HG       LYS   4  -6.062  17.787   1.854
   44   1HD   LYS   4          2HD       LYS   4  -5.170  17.364   3.958
   45   2HD   LYS   4          1HD       LYS   4  -3.695  17.500   2.998
   46   1HE   LYS   4          2HE       LYS   4  -3.263  18.916   4.848
   47   2HE   LYS   4          1HE       LYS   4  -3.839  20.051   3.611
   48   1HZ   LYS   4          1HZ       LYS   4  -5.044  20.344   5.699
   49   2HZ   LYS   4          2HZ       LYS   4  -5.537  18.718   5.656
   50   3HZ   LYS   4          3HZ       LYS   4  -6.082  19.806   4.469
   51    H    ASP   5           H        ASP   5  -2.850  18.601  -1.094
   52    HA   ASP   5           HA       ASP   5  -2.983  20.333  -3.463
   53   1HB   ASP   5          2HB       ASP   5  -1.811  21.149  -0.844
   54   2HB   ASP   5          1HB       ASP   5  -0.897  21.580  -2.290
   55    HA   PRO   6           HA       PRO   6   0.328  17.682  -4.674
   56   1HB   PRO   6          2HB       PRO   6   1.893  19.295  -6.236
   57   2HB   PRO   6          1HB       PRO   6   0.309  18.686  -6.760
   58   1HG   PRO   6          2HG       PRO   6   1.051  21.364  -5.694
   59   2HG   PRO   6          1HG       PRO   6  -0.091  20.935  -6.978
   60   1HD   PRO   6          2HD       PRO   6  -0.848  21.600  -4.441
   61   2HD   PRO   6          1HD       PRO   6  -1.797  20.541  -5.509
   62    H    ASN   7           H        ASN   7   1.420  20.890  -3.579
   63    HA   ASN   7           HA       ASN   7   4.082  19.970  -2.822
   64   1HB   ASN   7          2HB       ASN   7   3.306  22.295  -3.553
   65   2HB   ASN   7          1HB       ASN   7   2.625  22.469  -1.935
   66   1HD2  ASN   7          1HD2      ASN   7   4.037  23.478  -0.511
   67   2HD2  ASN   7          2HD2      ASN   7   5.731  23.391  -0.583
   68    H    ALA   8           H        ALA   8   1.000  19.735  -1.298
   69    HA   ALA   8           HA       ALA   8   2.232  19.553   1.417
   70   1HB   ALA   8          1HB       ALA   8  -0.302  19.513   1.997
   71   2HB   ALA   8          2HB       ALA   8  -0.550  19.966   0.311
   72   3HB   ALA   8          3HB       ALA   8   0.368  21.024   1.382
   73    HA   PRO   9           HA       PRO   9   1.856  15.140   0.805
   74   1HB   PRO   9          2HB       PRO   9   2.434  14.319   3.348
   75   2HB   PRO   9          1HB       PRO   9   3.674  14.864   2.201
   76   1HG   PRO   9          2HG       PRO   9   2.425  16.320   4.469
   77   2HG   PRO   9          1HG       PRO   9   4.094  16.358   3.884
   78   1HD   PRO   9          2HD       PRO   9   2.246  18.310   3.358
   79   2HD   PRO   9          1HD       PRO   9   3.646  17.960   2.319
   80    H    LYS  10           H        LYS  10  -0.209  14.388   0.572
   81    HA   LYS  10           HA       LYS  10  -2.454  15.086   2.168
   82   1HB   LYS  10          2HB       LYS  10  -3.517  13.199   0.950
   83   2HB   LYS  10          1HB       LYS  10  -2.538  14.191  -0.128
   84   1HG   LYS  10          2HG       LYS  10  -0.779  12.237   0.917
   85   2HG   LYS  10          1HG       LYS  10  -2.261  11.376   0.511
   86   1HD   LYS  10          2HD       LYS  10  -2.203  12.215  -1.760
   87   2HD   LYS  10          1HD       LYS  10  -0.842  13.272  -1.381
   88   1HE   LYS  10          2HE       LYS  10   0.540  11.254  -0.858
   89   2HE   LYS  10          1HE       LYS  10  -0.819  10.232  -1.368
   90   1HZ   LYS  10          1HZ       LYS  10   0.780  10.727  -3.184
   91   2HZ   LYS  10          2HZ       LYS  10   0.376  12.371  -3.047
   92   3HZ   LYS  10          3HZ       LYS  10  -0.802  11.241  -3.518
   93    H    ARG  11           H        ARG  11  -3.684  12.652   2.851
   94    HA   ARG  11           HA       ARG  11  -2.643  12.138   5.475
   95   1HB   ARG  11          2HB       ARG  11  -4.799  11.218   3.684
   96   2HB   ARG  11          1HB       ARG  11  -4.264   9.993   4.834
   97   1HG   ARG  11          2HG       ARG  11  -6.001  11.219   5.935
   98   2HG   ARG  11          1HG       ARG  11  -4.485  11.779   6.642
   99   1HD   ARG  11          2HD       ARG  11  -4.684  13.533   4.586
  100   2HD   ARG  11          1HD       ARG  11  -6.405  13.243   4.908
  101    HE   ARG  11           HE       ARG  11  -4.524  13.923   7.134
  102   1HH1  ARG  11          1HH2      ARG  11  -6.382  15.676   5.097
  103   2HH1  ARG  11          2HH2      ARG  11  -7.515  16.255   6.273
  104   1HH2  ARG  11          1HH1      ARG  11  -6.433  14.098   8.764
  105   2HH2  ARG  11          2HH1      ARG  11  -7.543  15.361   8.349
  106    HA   PRO  12           HA       PRO  12   0.431   9.126   4.408
  107   1HB   PRO  12          2HB       PRO  12   0.766   7.926   6.841
  108   2HB   PRO  12          1HB       PRO  12   1.405   9.539   6.466
  109   1HG   PRO  12          2HG       PRO  12  -1.010   8.773   8.013
  110   2HG   PRO  12          1HG       PRO  12   0.123  10.105   8.269
  111   1HD   PRO  12          2HD       PRO  12  -2.356  10.382   7.121
  112   2HD   PRO  12          1HD       PRO  12  -0.997  11.496   6.857
  113    HA   PRO  13           HA       PRO  13  -2.311   5.616   3.888
  114   1HB   PRO  13          2HB       PRO  13  -0.739   4.166   2.191
  115   2HB   PRO  13          1HB       PRO  13  -1.675   5.580   1.670
  116   1HG   PRO  13          2HG       PRO  13   1.222   5.309   2.137
  117   2HG   PRO  13          1HG       PRO  13   0.345   6.397   1.053
  118   1HD   PRO  13          2HD       PRO  13   1.459   7.057   3.548
  119   2HD   PRO  13          1HD       PRO  13   0.341   8.052   2.593
  120    H    SER  14           H        SER  14  -1.782   3.030   3.875
  121    HA   SER  14           HA       SER  14   0.460   2.238   5.580
  122   1HB   SER  14          2HB       SER  14  -0.861   1.752   7.549
  123   2HB   SER  14          1HB       SER  14  -1.192   3.418   7.084
  124    HG   SER  14           HG       SER  14  -3.142   2.413   7.435
  125    H    ALA  15           H        ALA  15   0.009   1.110   3.184
  126    HA   ALA  15           HA       ALA  15  -0.237  -0.961   2.150
  127   1HB   ALA  15          1HB       ALA  15  -1.265  -2.526   4.356
  128   2HB   ALA  15          2HB       ALA  15   0.051  -1.499   4.922
  129   3HB   ALA  15          3HB       ALA  15   0.318  -2.614   3.585
  130    H    PHE  16           H        PHE  16  -2.836  -1.348   4.598
  131    HA   PHE  16           HA       PHE  16  -4.840  -2.308   2.942
  132   1HB   PHE  16          2HB       PHE  16  -4.719  -1.851   5.481
  133   2HB   PHE  16          1HB       PHE  16  -5.345  -0.249   5.090
  134    HD1  PHE  16           1HD      PHE  16  -6.223  -3.622   5.803
  135    HD2  PHE  16           2HD      PHE  16  -7.464  -0.186   3.545
  136    HE1  PHE  16           1HE      PHE  16  -8.520  -4.546   5.659
  137    HE2  PHE  16           2HE      PHE  16  -9.761  -1.110   3.399
  138    HZ   PHE  16           HZ       PHE  16 -10.289  -3.291   4.456
  139    H    PHE  17           H        PHE  17  -4.340   1.161   3.699
  140    HA   PHE  17           HA       PHE  17  -6.382   2.226   2.033
  141   1HB   PHE  17          2HB       PHE  17  -4.852   3.321   3.804
  142   2HB   PHE  17          1HB       PHE  17  -3.676   3.494   2.501
  143    HD1  PHE  17           1HD      PHE  17  -7.133   4.370   3.561
  144    HD2  PHE  17           2HD      PHE  17  -3.921   5.171   0.823
  145    HE1  PHE  17           1HE      PHE  17  -8.323   6.392   2.756
  146    HE2  PHE  17           2HE      PHE  17  -5.111   7.192   0.018
  147    HZ   PHE  17           HZ       PHE  17  -7.312   7.802   0.985
  148    H    LEU  18           H        LEU  18  -3.033   1.291   1.280
  149    HA   LEU  18           HA       LEU  18  -2.992   2.333  -1.411
  150   1HB   LEU  18          2HB       LEU  18  -1.422   0.028  -0.207
  151   2HB   LEU  18          1HB       LEU  18  -0.944   1.019  -1.580
  152    HG   LEU  18           HG       LEU  18  -1.205   1.920   1.308
  153   1HD1  LEU  18          1HD1      LEU  18   1.185   2.268   1.168
  154   2HD1  LEU  18          2HD1      LEU  18   1.185   1.868  -0.549
  155   3HD1  LEU  18          3HD1      LEU  18   0.834   0.620   0.646
  156   1HD2  LEU  18          1HD2      LEU  18  -0.137   4.060   0.216
  157   2HD2  LEU  18          2HD2      LEU  18  -1.884   3.836   0.120
  158   3HD2  LEU  18          3HD2      LEU  18  -0.868   3.449  -1.269
  159    H    PHE  19           H        PHE  19  -3.809  -0.841  -0.020
  160    HA   PHE  19           HA       PHE  19  -4.128  -2.202  -2.557
  161   1HB   PHE  19          2HB       PHE  19  -3.669  -3.233  -0.315
  162   2HB   PHE  19          1HB       PHE  19  -5.311  -2.810   0.170
  163    HD1  PHE  19           1HD      PHE  19  -3.283  -4.876  -2.139
  164    HD2  PHE  19           2HD      PHE  19  -7.222  -4.028  -0.650
  165    HE1  PHE  19           1HE      PHE  19  -4.136  -6.937  -3.224
  166    HE2  PHE  19           2HE      PHE  19  -8.074  -6.089  -1.735
  167    HZ   PHE  19           HZ       PHE  19  -6.531  -7.543  -3.021
  168    H    CYS  20           H        CYS  20  -6.529  -0.992  -0.182
  169    HA   CYS  20           HA       CYS  20  -8.877  -1.561  -1.662
  170   1HB   CYS  20          2HB       CYS  20  -8.637  -0.813   0.738
  171   2HB   CYS  20          1HB       CYS  20  -8.355   0.823   0.141
  172    HG   CYS  20           HG       CYS  20 -10.865   0.871   0.365
  173    H    SER  21           H        SER  21  -7.105   1.555  -1.509
  174    HA   SER  21           HA       SER  21  -8.633   2.987  -3.414
  175   1HB   SER  21          2HB       SER  21  -6.814   3.796  -1.842
  176   2HB   SER  21          1HB       SER  21  -5.637   3.150  -2.981
  177    HG   SER  21           HG       SER  21  -7.614   5.132  -3.470
  178    H    GLU  22           H        GLU  22  -6.114   0.565  -3.904
  179    HA   GLU  22           HA       GLU  22  -5.931   1.124  -6.801
  180   1HB   GLU  22          2HB       GLU  22  -4.557  -0.537  -4.748
  181   2HB   GLU  22          1HB       GLU  22  -4.422  -1.045  -6.428
  182   1HG   GLU  22          2HG       GLU  22  -3.801   1.753  -5.441
  183   2HG   GLU  22          1HG       GLU  22  -2.584   0.505  -5.709
  184    H    TYR  23           H        TYR  23  -7.460  -1.184  -4.621
  185    HA   TYR  23           HA       TYR  23  -8.221  -2.969  -6.868
  186   1HB   TYR  23          2HB       TYR  23  -8.157  -3.025  -3.887
  187   2HB   TYR  23          1HB       TYR  23  -9.347  -4.054  -4.683
  188    HD1  TYR  23           1HD      TYR  23  -5.717  -3.141  -4.796
  189    HD2  TYR  23           2HD      TYR  23  -8.702  -6.134  -5.556
  190    HE1  TYR  23           1HE      TYR  23  -3.936  -4.777  -5.347
  191    HE2  TYR  23           2HE      TYR  23  -6.921  -7.771  -6.106
  192    HH   TYR  23           HH       TYR  23  -4.542  -8.121  -5.642
  193    H    ARG  24           H        ARG  24  -9.423  -0.102  -6.082
  194    HA   ARG  24           HA       ARG  24 -12.243  -0.807  -5.681
  195   1HB   ARG  24          2HB       ARG  24 -10.533   1.626  -5.684
  196   2HB   ARG  24          1HB       ARG  24 -12.248   1.829  -6.040
  197   1HG   ARG  24          2HG       ARG  24 -12.903   0.847  -3.965
  198   2HG   ARG  24          1HG       ARG  24 -11.267   0.269  -3.645
  199   1HD   ARG  24          2HD       ARG  24 -11.171   2.187  -2.364
  200   2HD   ARG  24          1HD       ARG  24 -10.789   2.937  -3.927
  201    HE   ARG  24           HE       ARG  24 -13.313   3.279  -4.163
  202   1HH1  ARG  24          1HH2      ARG  24 -13.512   1.771  -1.392
  203   2HH1  ARG  24          2HH2      ARG  24 -13.960   3.107  -0.384
  204   1HH2  ARG  24          1HH1      ARG  24 -13.140   5.507  -2.748
  205   2HH2  ARG  24          2HH1      ARG  24 -13.748   5.223  -1.152
  206    HA   PRO  25           HA       PRO  25 -12.502   1.231 -10.054
  207   1HB   PRO  25          2HB       PRO  25 -10.298   1.004 -11.667
  208   2HB   PRO  25          1HB       PRO  25 -10.649   2.431 -10.673
  209   1HG   PRO  25          2HG       PRO  25  -8.784   0.174 -10.152
  210   2HG   PRO  25          1HG       PRO  25  -8.578   1.905  -9.840
  211   1HD   PRO  25          2HD       PRO  25  -9.194   0.132  -7.919
  212   2HD   PRO  25          1HD       PRO  25  -9.735   1.820  -7.852
  213    H    LYS  26           H        LYS  26 -10.844  -1.694  -9.229
  214    HA   LYS  26           HA       LYS  26 -11.402  -3.196 -11.659
  215   1HB   LYS  26          2HB       LYS  26  -9.693  -3.682  -9.828
  216   2HB   LYS  26          1HB       LYS  26 -11.052  -4.155  -8.803
  217   1HG   LYS  26          2HG       LYS  26 -10.744  -5.370 -11.537
  218   2HG   LYS  26          1HG       LYS  26  -9.798  -5.997 -10.187
  219   1HD   LYS  26          2HD       LYS  26 -12.093  -6.034  -8.929
  220   2HD   LYS  26          1HD       LYS  26 -12.782  -5.983 -10.553
  221   1HE   LYS  26          2HE       LYS  26 -11.423  -7.988 -11.165
  222   2HE   LYS  26          1HE       LYS  26 -10.847  -8.070  -9.488
  223   1HZ   LYS  26          1HZ       LYS  26 -13.115  -8.205  -8.721
  224   2HZ   LYS  26          2HZ       LYS  26 -12.833  -9.447  -9.846
  225   3HZ   LYS  26          3HZ       LYS  26 -13.705  -8.062 -10.305
  226    H    ILE  27           H        ILE  27 -12.863  -3.027  -8.418
  227    HA   ILE  27           HA       ILE  27 -15.085  -4.726  -8.747
  228    HB   ILE  27           HB       ILE  27 -14.969  -2.078  -7.258
  229   1HG1  ILE  27          2HG1      ILE  27 -13.029  -3.292  -6.528
  230   2HG1  ILE  27          1HG1      ILE  27 -14.252  -3.520  -5.292
  231   1HG2  ILE  27          1HG2      ILE  27 -17.191  -2.984  -7.279
  232   2HG2  ILE  27          2HG2      ILE  27 -16.508  -3.288  -5.682
  233   3HG2  ILE  27          3HG2      ILE  27 -16.599  -4.593  -6.866
  234   1HD1  ILE  27          1HD1      ILE  27 -13.383  -5.679  -5.617
  235   2HD1  ILE  27          2HD1      ILE  27 -13.301  -5.480  -7.368
  236   3HD1  ILE  27          3HD1      ILE  27 -14.865  -5.677  -6.575
  237    H    LYS  28           H        LYS  28 -14.649  -1.363  -9.712
  238    HA   LYS  28           HA       LYS  28 -17.421  -0.842 -10.312
  239   1HB   LYS  28          2HB       LYS  28 -15.196   0.620 -11.710
  240   2HB   LYS  28          1HB       LYS  28 -16.686   1.251 -11.027
  241   1HG   LYS  28          2HG       LYS  28 -14.139   0.517  -9.619
  242   2HG   LYS  28          1HG       LYS  28 -14.949   2.064  -9.632
  243   1HD   LYS  28          2HD       LYS  28 -15.858  -0.452  -8.194
  244   2HD   LYS  28          1HD       LYS  28 -15.262   1.032  -7.463
  245   1HE   LYS  28          2HE       LYS  28 -17.731   0.970  -9.232
  246   2HE   LYS  28          1HE       LYS  28 -17.800   0.810  -7.465
  247   1HZ   LYS  28          1HZ       LYS  28 -17.976   3.121  -8.008
  248   2HZ   LYS  28          2HZ       LYS  28 -16.607   3.050  -9.012
  249   3HZ   LYS  28          3HZ       LYS  28 -16.442   2.862  -7.331
  250    H    SER  29           H        SER  29 -14.682  -1.945 -12.289
  251    HA   SER  29           HA       SER  29 -15.869  -1.758 -14.862
  252   1HB   SER  29          2HB       SER  29 -13.485  -2.268 -14.287
  253   2HB   SER  29          1HB       SER  29 -13.986  -3.880 -13.782
  254    HG   SER  29           HG       SER  29 -13.251  -3.807 -15.964
  255    H    GLU  30           H        GLU  30 -16.453  -4.043 -12.268
  256    HA   GLU  30           HA       GLU  30 -18.201  -5.657 -14.098
  257   1HB   GLU  30          2HB       GLU  30 -16.193  -6.267 -12.048
  258   2HB   GLU  30          1HB       GLU  30 -17.704  -7.136 -11.790
  259   1HG   GLU  30          2HG       GLU  30 -16.458  -7.037 -14.530
  260   2HG   GLU  30          1HG       GLU  30 -15.900  -8.210 -13.336
  261    H    HIS  31           H        HIS  31 -18.067  -3.775 -11.149
  262    HA   HIS  31           HA       HIS  31 -20.945  -4.447 -10.618
  263   1HB   HIS  31          2HB       HIS  31 -18.845  -3.478  -8.649
  264   2HB   HIS  31          1HB       HIS  31 -20.452  -4.082  -8.269
  265    HD1  HIS  31           1HD      HIS  31 -17.000  -5.188  -9.081
  266    HD2  HIS  31           2HD      HIS  31 -20.745  -6.949  -8.584
  267    HE1  HIS  31           1HE      HIS  31 -16.598  -7.677  -8.888
  268    HA   PRO  32           HA       PRO  32 -20.854  -0.008 -11.689
  269   1HB   PRO  32          2HB       PRO  32 -23.394   0.087 -12.696
  270   2HB   PRO  32          1HB       PRO  32 -21.994  -0.428 -13.648
  271   1HG   PRO  32          2HG       PRO  32 -24.120  -2.057 -12.390
  272   2HG   PRO  32          1HG       PRO  32 -23.225  -2.327 -13.893
  273   1HD   PRO  32          2HD       PRO  32 -22.736  -3.625 -11.507
  274   2HD   PRO  32          1HD       PRO  32 -21.577  -3.473 -12.845
  275    H    GLY  33           H        GLY  33 -23.252  -1.904  -9.950
  276   1HA   GLY  33          2HA       GLY  33 -24.438   0.453  -8.661
  277   2HA   GLY  33          1HA       GLY  33 -24.872  -1.226  -8.360
  278    H    LEU  34           H        LEU  34 -21.704  -1.535  -8.098
  279    HA   LEU  34           HA       LEU  34 -21.610  -1.684  -5.252
  280   1HB   LEU  34          2HB       LEU  34 -19.927  -2.146  -7.547
  281   2HB   LEU  34          1HB       LEU  34 -18.988  -1.303  -6.322
  282    HG   LEU  34           HG       LEU  34 -18.873  -3.784  -6.089
  283   1HD1  LEU  34          1HD1      LEU  34 -19.850  -1.925  -3.999
  284   2HD1  LEU  34          2HD1      LEU  34 -18.399  -2.927  -4.034
  285   3HD1  LEU  34          3HD1      LEU  34 -19.953  -3.642  -3.607
  286   1HD2  LEU  34          1HD2      LEU  34 -20.718  -5.109  -6.001
  287   2HD2  LEU  34          2HD2      LEU  34 -21.576  -3.721  -6.667
  288   3HD2  LEU  34          3HD2      LEU  34 -21.572  -4.002  -4.927
  289    H    SER  35           H        SER  35 -22.459   0.457  -4.597
  290    HA   SER  35           HA       SER  35 -21.029   2.916  -5.188
  291   1HB   SER  35          2HB       SER  35 -22.510   3.779  -3.367
  292   2HB   SER  35          1HB       SER  35 -23.399   2.831  -4.557
  293    HG   SER  35           HG       SER  35 -23.945   2.181  -2.460
  294    H    ILE  36           H        ILE  36 -20.066   4.231  -3.273
  295    HA   ILE  36           HA       ILE  36 -17.760   2.991  -2.220
  296    HB   ILE  36           HB       ILE  36 -19.392   5.406  -1.398
  297   1HG1  ILE  36          2HG1      ILE  36 -16.994   6.313  -2.264
  298   2HG1  ILE  36          1HG1      ILE  36 -17.073   4.801  -3.166
  299   1HG2  ILE  36          1HG2      ILE  36 -17.214   6.049  -0.154
  300   2HG2  ILE  36          2HG2      ILE  36 -16.825   4.329  -0.210
  301   3HG2  ILE  36          3HG2      ILE  36 -18.272   4.878   0.636
  302   1HD1  ILE  36          1HD1      ILE  36 -19.486   6.574  -3.123
  303   2HD1  ILE  36          2HD1      ILE  36 -18.938   5.460  -4.377
  304   3HD1  ILE  36          3HD1      ILE  36 -18.129   7.013  -4.162
  305    H    GLY  37           H        GLY  37 -21.045   3.045  -0.966
  306   1HA   GLY  37          2HA       GLY  37 -20.527   2.264   1.727
  307   2HA   GLY  37          1HA       GLY  37 -22.022   1.924   0.851
  308    H    ASP  38           H        ASP  38 -21.825   0.083  -0.789
  309    HA   ASP  38           HA       ASP  38 -20.935  -2.316   0.534
  310   1HB   ASP  38          2HB       ASP  38 -22.771  -1.860  -1.262
  311   2HB   ASP  38          1HB       ASP  38 -21.456  -2.041  -2.424
  312    H    THR  39           H        THR  39 -19.415  -0.151  -1.766
  313    HA   THR  39           HA       THR  39 -17.331  -1.922  -2.695
  314    HB   THR  39           HB       THR  39 -17.613   1.086  -2.504
  315    HG1  THR  39           1HG      THR  39 -17.878  -0.766  -4.628
  316   1HG2  THR  39          1HG2      THR  39 -15.253   0.684  -2.672
  317   2HG2  THR  39          2HG2      THR  39 -15.812   1.086  -4.296
  318   3HG2  THR  39          3HG2      THR  39 -15.497  -0.595  -3.864
  319    H    ALA  40           H        ALA  40 -17.739   0.056   0.179
  320    HA   ALA  40           HA       ALA  40 -14.938  -0.025   0.996
  321   1HB   ALA  40          1HB       ALA  40 -16.446   1.757   1.703
  322   2HB   ALA  40          2HB       ALA  40 -15.953   0.846   3.130
  323   3HB   ALA  40          3HB       ALA  40 -17.548   0.584   2.425
  324    H    LYS  41           H        LYS  41 -17.912  -1.730   2.012
  325    HA   LYS  41           HA       LYS  41 -16.449  -3.516   3.802
  326   1HB   LYS  41          2HB       LYS  41 -18.676  -4.432   4.214
  327   2HB   LYS  41          1HB       LYS  41 -18.761  -2.674   4.186
  328   1HG   LYS  41          2HG       LYS  41 -19.339  -2.983   1.658
  329   2HG   LYS  41          1HG       LYS  41 -19.717  -4.641   2.118
  330   1HD   LYS  41          2HD       LYS  41 -21.765  -3.406   2.302
  331   2HD   LYS  41          1HD       LYS  41 -21.194  -3.682   3.947
  332   1HE   LYS  41          2HE       LYS  41 -19.952  -1.290   3.294
  333   2HE   LYS  41          1HE       LYS  41 -21.535  -1.144   2.503
  334   1HZ   LYS  41          1HZ       LYS  41 -22.583  -1.886   4.565
  335   2HZ   LYS  41          2HZ       LYS  41 -21.694  -0.459   4.810
  336   3HZ   LYS  41          3HZ       LYS  41 -21.069  -1.952   5.326
  337    H    LYS  42           H        LYS  42 -17.234  -3.566   0.413
  338    HA   LYS  42           HA       LYS  42 -17.265  -6.469   0.107
  339   1HB   LYS  42          2HB       LYS  42 -18.401  -4.905  -1.436
  340   2HB   LYS  42          1HB       LYS  42 -16.847  -4.189  -1.859
  341   1HG   LYS  42          2HG       LYS  42 -17.539  -5.807  -3.571
  342   2HG   LYS  42          1HG       LYS  42 -16.092  -6.380  -2.740
  343   1HD   LYS  42          2HD       LYS  42 -17.187  -8.132  -1.758
  344   2HD   LYS  42          1HD       LYS  42 -18.674  -7.211  -1.535
  345   1HE   LYS  42          2HE       LYS  42 -19.525  -7.850  -3.567
  346   2HE   LYS  42          1HE       LYS  42 -17.934  -7.822  -4.354
  347   1HZ   LYS  42          1HZ       LYS  42 -17.325  -9.811  -3.133
  348   2HZ   LYS  42          2HZ       LYS  42 -18.727 -10.099  -4.048
  349   3HZ   LYS  42          3HZ       LYS  42 -18.840  -9.844  -2.372
  350    H    LEU  43           H        LEU  43 -14.920  -3.973  -0.970
  351    HA   LEU  43           HA       LEU  43 -12.800  -5.557  -1.811
  352   1HB   LEU  43          2HB       LEU  43 -12.854  -2.966  -0.243
  353   2HB   LEU  43          1HB       LEU  43 -11.397  -3.595  -1.013
  354    HG   LEU  43           HG       LEU  43 -13.963  -3.222  -2.559
  355   1HD1  LEU  43          1HD1      LEU  43 -13.227  -1.028  -3.226
  356   2HD1  LEU  43          2HD1      LEU  43 -11.695  -1.222  -2.373
  357   3HD1  LEU  43          3HD1      LEU  43 -13.197  -1.066  -1.463
  358   1HD2  LEU  43          1HD2      LEU  43 -11.036  -3.307  -3.360
  359   2HD2  LEU  43          2HD2      LEU  43 -12.404  -3.175  -4.464
  360   3HD2  LEU  43          3HD2      LEU  43 -12.173  -4.646  -3.520
  361    H    GLY  44           H        GLY  44 -13.815  -5.011   1.518
  362   1HA   GLY  44          2HA       GLY  44 -11.408  -5.911   2.809
  363   2HA   GLY  44          1HA       GLY  44 -13.011  -5.885   3.546
  364    H    GLU  45           H        GLU  45 -14.277  -7.568   1.572
  365    HA   GLU  45           HA       GLU  45 -14.018 -10.138   2.660
  366   1HB   GLU  45          2HB       GLU  45 -15.628  -8.966   0.882
  367   2HB   GLU  45          1HB       GLU  45 -14.592  -9.819  -0.261
  368   1HG   GLU  45          2HG       GLU  45 -15.017 -11.938   0.980
  369   2HG   GLU  45          1HG       GLU  45 -16.134 -11.066   2.031
  370    H    MET  46           H        MET  46 -12.194  -8.725  -0.051
  371    HA   MET  46           HA       MET  46 -10.759 -11.223  -0.626
  372   1HB   MET  46          2HB       MET  46 -10.587  -8.343  -1.548
  373   2HB   MET  46          1HB       MET  46  -9.507  -9.598  -2.157
  374   1HG   MET  46          2HG       MET  46 -11.471 -10.915  -2.895
  375   2HG   MET  46          1HG       MET  46 -12.535  -9.630  -2.322
  376   1HE   MET  46          1HE       MET  46 -12.524 -10.595  -5.598
  377   2HE   MET  46          2HE       MET  46 -13.115  -8.964  -5.904
  378   3HE   MET  46          3HE       MET  46 -13.585  -9.802  -4.426
  379    H    TRP  47           H        TRP  47 -10.004  -8.078   0.873
  380    HA   TRP  47           HA       TRP  47  -7.261  -8.293   1.335
  381   1HB   TRP  47          2HB       TRP  47  -8.780  -6.380   1.868
  382   2HB   TRP  47          1HB       TRP  47  -9.358  -7.274   3.274
  383    HD1  TRP  47           HD       TRP  47  -8.110  -6.796   5.430
  384    HE1  TRP  47           1HE      TRP  47  -5.782  -5.883   6.059
  385    HE3  TRP  47           3HE      TRP  47  -6.072  -6.300   0.774
  386    HZ2  TRP  47           2HZ      TRP  47  -3.371  -5.054   4.757
  387    HZ3  TRP  47           3HZ      TRP  47  -3.762  -5.448   0.497
  388    HH2  TRP  47           HH       TRP  47  -2.410  -4.825   2.480
  389    H    SER  48           H        SER  48  -9.859  -9.953   3.127
  390    HA   SER  48           HA       SER  48  -7.918 -11.044   5.080
  391   1HB   SER  48          2HB       SER  48 -10.210 -10.164   5.654
  392   2HB   SER  48          1HB       SER  48 -10.897 -11.503   4.738
  393    HG   SER  48           HG       SER  48 -10.599 -11.818   7.078
  394    H    GLU  49           H        GLU  49  -9.629 -12.002   2.171
  395    HA   GLU  49           HA       GLU  49  -9.554 -14.852   2.490
  396   1HB   GLU  49          2HB       GLU  49  -9.726 -12.878   0.232
  397   2HB   GLU  49          1HB       GLU  49  -9.503 -14.587  -0.146
  398   1HG   GLU  49          2HG       GLU  49 -11.623 -13.788   1.823
  399   2HG   GLU  49          1HG       GLU  49 -11.937 -13.608   0.096
  400    H    GLN  50           H        GLN  50  -7.244 -12.560   1.026
  401    HA   GLN  50           HA       GLN  50  -5.331 -14.468   0.093
  402   1HB   GLN  50          2HB       GLN  50  -5.138 -11.593   1.035
  403   2HB   GLN  50          1HB       GLN  50  -3.802 -12.443   0.256
  404   1HG   GLN  50          2HG       GLN  50  -6.510 -12.395  -1.050
  405   2HG   GLN  50          1HG       GLN  50  -5.428 -11.012  -1.217
  406   1HE2  GLN  50          1HE2      GLN  50  -6.264 -13.846  -2.750
  407   2HE2  GLN  50          2HE2      GLN  50  -4.810 -14.161  -3.568
  408    H    SER  51           H        SER  51  -3.258 -15.026   1.061
  409    HA   SER  51           HA       SER  51  -3.439 -15.517   3.969
  410   1HB   SER  51          2HB       SER  51  -2.736 -17.210   2.239
  411   2HB   SER  51          1HB       SER  51  -1.311 -16.226   1.916
  412    HG   SER  51           HG       SER  51  -0.482 -17.327   3.506
  413    H    ALA  52           H        ALA  52  -0.431 -15.438   4.200
  414    HA   ALA  52           HA       ALA  52  -0.184 -12.600   4.926
  415   1HB   ALA  52          1HB       ALA  52   1.727 -14.957   5.072
  416   2HB   ALA  52          2HB       ALA  52   0.621 -14.455   6.351
  417   3HB   ALA  52          3HB       ALA  52   1.956 -13.406   5.879
  418    H    LYS  53           H        LYS  53  -0.486 -12.575   2.218
  419    HA   LYS  53           HA       LYS  53   2.287 -12.086   1.181
  420   1HB   LYS  53          2HB       LYS  53   0.655 -14.124   0.431
  421   2HB   LYS  53          1HB       LYS  53   0.121 -12.873  -0.693
  422   1HG   LYS  53          2HG       LYS  53   2.318 -12.596  -1.586
  423   2HG   LYS  53          1HG       LYS  53   3.042 -13.534  -0.280
  424   1HD   LYS  53          2HD       LYS  53   1.763 -15.534  -1.075
  425   2HD   LYS  53          1HD       LYS  53   1.202 -14.580  -2.449
  426   1HE   LYS  53          2HE       LYS  53   3.673 -14.135  -2.973
  427   2HE   LYS  53          1HE       LYS  53   4.040 -15.423  -1.809
  428   1HZ   LYS  53          1HZ       LYS  53   3.770 -16.339  -4.030
  429   2HZ   LYS  53          2HZ       LYS  53   2.218 -15.658  -4.148
  430   3HZ   LYS  53          3HZ       LYS  53   2.527 -16.884  -3.013
  431    H    ASP  54           H        ASP  54  -1.165 -11.220   1.003
  432    HA   ASP  54           HA       ASP  54  -1.010  -9.102  -0.878
  433   1HB   ASP  54          2HB       ASP  54  -3.117  -8.368   0.231
  434   2HB   ASP  54          1HB       ASP  54  -3.091 -10.108  -0.046
  435    H    LYS  55           H        LYS  55  -0.434  -9.068   2.653
  436    HA   LYS  55           HA       LYS  55   0.107  -6.160   2.586
  437   1HB   LYS  55          2HB       LYS  55  -1.217  -7.414   4.360
  438   2HB   LYS  55          1HB       LYS  55   0.313  -8.114   4.888
  439   1HG   LYS  55          2HG       LYS  55   1.191  -5.989   5.495
  440   2HG   LYS  55          1HG       LYS  55  -0.072  -5.129   4.615
  441   1HD   LYS  55          2HD       LYS  55  -1.741  -6.204   6.210
  442   2HD   LYS  55          1HD       LYS  55  -0.355  -6.719   7.173
  443   1HE   LYS  55          2HE       LYS  55  -0.825  -3.827   6.380
  444   2HE   LYS  55          1HE       LYS  55  -1.366  -4.517   7.923
  445   1HZ   LYS  55          1HZ       LYS  55   1.416  -4.506   6.876
  446   2HZ   LYS  55          2HZ       LYS  55   0.919  -5.296   8.295
  447   3HZ   LYS  55          3HZ       LYS  55   0.837  -3.602   8.188
  448    H    GLN  56           H        GLN  56   1.979  -8.289   1.322
  449    HA   GLN  56           HA       GLN  56   4.398  -7.873   3.009
  450   1HB   GLN  56          2HB       GLN  56   3.431  -9.832   1.050
  451   2HB   GLN  56          1HB       GLN  56   5.116  -9.388   0.800
  452   1HG   GLN  56          2HG       GLN  56   4.094 -10.079   3.550
  453   2HG   GLN  56          1HG       GLN  56   4.602 -11.343   2.429
  454   1HE2  GLN  56          1HE2      GLN  56   5.803  -9.690   4.971
  455   2HE2  GLN  56          2HE2      GLN  56   7.435  -9.566   4.522
  456    HA   PRO  57           HA       PRO  57   5.837  -5.795  -0.973
  457   1HB   PRO  57          2HB       PRO  57   4.308  -5.773  -3.218
  458   2HB   PRO  57          1HB       PRO  57   5.386  -7.122  -2.811
  459   1HG   PRO  57          2HG       PRO  57   2.459  -6.921  -2.608
  460   2HG   PRO  57          1HG       PRO  57   3.471  -8.338  -2.903
  461   1HD   PRO  57          2HD       PRO  57   2.259  -7.626  -0.482
  462   2HD   PRO  57          1HD       PRO  57   3.531  -8.842  -0.708
  463    H    TYR  58           H        TYR  58   2.337  -5.513  -0.551
  464    HA   TYR  58           HA       TYR  58   2.228  -2.703  -1.369
  465   1HB   TYR  58          2HB       TYR  58   0.410  -4.858  -0.414
  466   2HB   TYR  58          1HB       TYR  58  -0.133  -3.199  -0.161
  467    HD1  TYR  58           1HD      TYR  58   0.599  -5.796  -2.631
  468    HD2  TYR  58           2HD      TYR  58  -0.443  -1.665  -2.083
  469    HE1  TYR  58           1HE      TYR  58  -0.047  -5.642  -5.021
  470    HE2  TYR  58           2HE      TYR  58  -1.089  -1.510  -4.472
  471    HH   TYR  58           HH       TYR  58  -0.197  -3.203  -6.729
  472    H    GLU  59           H        GLU  59   3.393  -4.129   1.453
  473    HA   GLU  59           HA       GLU  59   2.263  -2.108   3.297
  474   1HB   GLU  59          2HB       GLU  59   3.341  -3.485   4.993
  475   2HB   GLU  59          1HB       GLU  59   2.510  -4.532   3.853
  476   1HG   GLU  59          2HG       GLU  59   4.501  -5.641   3.745
  477   2HG   GLU  59          1HG       GLU  59   4.979  -4.323   2.678
  478    H    GLN  60           H        GLN  60   5.204  -2.717   1.491
  479    HA   GLN  60           HA       GLN  60   6.871  -0.901   3.064
  480   1HB   GLN  60          2HB       GLN  60   8.480  -1.337   1.214
  481   2HB   GLN  60          1HB       GLN  60   7.794  -2.826   1.856
  482   1HG   GLN  60          2HG       GLN  60   6.429  -3.155  -0.014
  483   2HG   GLN  60          1HG       GLN  60   6.506  -1.462  -0.496
  484   1HE2  GLN  60          1HE2      GLN  60   7.356  -4.142  -1.873
  485   2HE2  GLN  60          2HE2      GLN  60   8.926  -3.809  -2.423
  486    H    LYS  61           H        LYS  61   4.684  -0.614   0.350
  487    HA   LYS  61           HA       LYS  61   5.669   1.786  -0.853
  488   1HB   LYS  61          2HB       LYS  61   3.956   0.270  -1.804
  489   2HB   LYS  61          1HB       LYS  61   2.838   0.731  -0.522
  490   1HG   LYS  61          2HG       LYS  61   2.687   2.973  -1.321
  491   2HG   LYS  61          1HG       LYS  61   4.074   2.760  -2.391
  492   1HD   LYS  61          2HD       LYS  61   2.759   1.040  -3.658
  493   2HD   LYS  61          1HD       LYS  61   1.362   1.431  -2.654
  494   1HE   LYS  61          2HE       LYS  61   1.273   3.682  -3.497
  495   2HE   LYS  61          1HE       LYS  61   2.853   3.511  -4.288
  496   1HZ   LYS  61          1HZ       LYS  61   0.448   1.871  -4.893
  497   2HZ   LYS  61          2HZ       LYS  61   1.960   1.749  -5.658
  498   3HZ   LYS  61          3HZ       LYS  61   1.018   3.149  -5.851
  499    H    ALA  62           H        ALA  62   3.316   1.288   1.797
  500    HA   ALA  62           HA       ALA  62   2.815   4.106   2.242
  501   1HB   ALA  62          1HB       ALA  62   2.127   2.931   4.563
  502   2HB   ALA  62          2HB       ALA  62   2.275   1.485   3.563
  503   3HB   ALA  62          3HB       ALA  62   1.148   2.763   3.106
  504    H    ALA  63           H        ALA  63   5.525   2.117   2.967
  505    HA   ALA  63           HA       ALA  63   6.344   3.634   5.364
  506   1HB   ALA  63          1HB       ALA  63   6.689   1.168   5.036
  507   2HB   ALA  63          2HB       ALA  63   8.191   2.039   5.348
  508   3HB   ALA  63          3HB       ALA  63   7.786   1.540   3.705
  509    H    LYS  64           H        LYS  64   6.259   4.491   2.203
  510    HA   LYS  64           HA       LYS  64   8.978   5.733   2.171
  511   1HB   LYS  64          2HB       LYS  64   6.920   4.968   0.088
  512   2HB   LYS  64          1HB       LYS  64   8.247   6.062  -0.294
  513   1HG   LYS  64          2HG       LYS  64   8.620   3.300   0.896
  514   2HG   LYS  64          1HG       LYS  64   8.741   3.654  -0.829
  515   1HD   LYS  64          2HD       LYS  64  10.488   5.411  -0.211
  516   2HD   LYS  64          1HD       LYS  64  10.498   4.697   1.403
  517   1HE   LYS  64          2HE       LYS  64  11.304   2.604   0.590
  518   2HE   LYS  64          1HE       LYS  64  10.935   3.033  -1.093
  519   1HZ   LYS  64          1HZ       LYS  64  12.532   4.811  -0.991
  520   2HZ   LYS  64          2HZ       LYS  64  13.300   3.365  -0.537
  521   3HZ   LYS  64          3HZ       LYS  64  12.849   4.499   0.645
  522    H    LEU  65           H        LEU  65   5.516   6.296   1.957
  523    HA   LEU  65           HA       LEU  65   5.745   9.192   1.549
  524   1HB   LEU  65          2HB       LEU  65   3.602   7.125   1.954
  525   2HB   LEU  65          1HB       LEU  65   3.187   8.827   2.140
  526    HG   LEU  65           HG       LEU  65   4.405   9.128  -0.148
  527   1HD1  LEU  65          1HD1      LEU  65   4.032   6.988  -1.536
  528   2HD1  LEU  65          2HD1      LEU  65   3.942   6.146   0.012
  529   3HD1  LEU  65          3HD1      LEU  65   5.416   7.001  -0.444
  530   1HD2  LEU  65          1HD2      LEU  65   1.728   7.739   0.175
  531   2HD2  LEU  65          2HD2      LEU  65   2.277   8.457  -1.340
  532   3HD2  LEU  65          3HD2      LEU  65   2.021   9.476   0.077
  533    H    LYS  66           H        LYS  66   6.194   7.174   4.227
  534    HA   LYS  66           HA       LYS  66   4.910   8.850   6.254
  535   1HB   LYS  66          2HB       LYS  66   5.191   6.406   6.482
  536   2HB   LYS  66          1HB       LYS  66   6.941   6.590   6.373
  537   1HG   LYS  66          2HG       LYS  66   6.762   6.590   8.661
  538   2HG   LYS  66          1HG       LYS  66   6.463   8.308   8.391
  539   1HD   LYS  66          2HD       LYS  66   4.697   7.569   9.818
  540   2HD   LYS  66          1HD       LYS  66   3.983   7.702   8.211
  541   1HE   LYS  66          2HE       LYS  66   4.647   5.180   7.969
  542   2HE   LYS  66          1HE       LYS  66   4.726   5.214   9.743
  543   1HZ   LYS  66          1HZ       LYS  66   2.514   6.230   9.763
  544   2HZ   LYS  66          2HZ       LYS  66   2.484   4.698   9.028
  545   3HZ   LYS  66          3HZ       LYS  66   2.431   6.103   8.074
  546    H    GLU  67           H        GLU  67   8.108   8.478   4.782
  547    HA   GLU  67           HA       GLU  67   9.563  10.067   6.721
  548   1HB   GLU  67          2HB       GLU  67   9.938   8.873   4.031
  549   2HB   GLU  67          1HB       GLU  67  10.952  10.277   4.373
  550   1HG   GLU  67          2HG       GLU  67  12.028   9.230   6.162
  551   2HG   GLU  67          1HG       GLU  67  10.706   8.092   6.422
  552    H    LYS  68           H        LYS  68   8.662  10.881   3.351
  553    HA   LYS  68           HA       LYS  68   9.155  13.655   3.467
  554   1HB   LYS  68          2HB       LYS  68   7.504  11.775   1.852
  555   2HB   LYS  68          1HB       LYS  68   7.141  13.492   1.677
  556   1HG   LYS  68          2HG       LYS  68   8.818  13.373   0.119
  557   2HG   LYS  68          1HG       LYS  68   9.833  13.604   1.543
  558   1HD   LYS  68          2HD       LYS  68  10.761  11.726   0.404
  559   2HD   LYS  68          1HD       LYS  68   9.857  11.053   1.761
  560   1HE   LYS  68          2HE       LYS  68   7.878  10.809   0.145
  561   2HE   LYS  68          1HE       LYS  68   9.041  11.134  -1.156
  562   1HZ   LYS  68          1HZ       LYS  68   8.902   8.757  -0.683
  563   2HZ   LYS  68          2HZ       LYS  68   9.329   9.040   0.936
  564   3HZ   LYS  68          3HZ       LYS  68  10.442   9.359  -0.306
  565    H    TYR  69           H        TYR  69   6.447  11.845   4.763
  566    HA   TYR  69           HA       TYR  69   4.666  14.151   5.029
  567   1HB   TYR  69          2HB       TYR  69   3.856  11.848   4.751
  568   2HB   TYR  69          1HB       TYR  69   4.680  11.358   6.229
  569    HD1  TYR  69           1HD      TYR  69   2.535  14.312   5.328
  570    HD2  TYR  69           2HD      TYR  69   3.140  10.948   7.928
  571    HE1  TYR  69           1HE      TYR  69   0.555  14.986   6.659
  572    HE2  TYR  69           2HE      TYR  69   1.160  11.623   9.261
  573    HH   TYR  69           HH       TYR  69  -1.055  13.061   8.660
  574    H    GLU  70           H        GLU  70   5.974  12.018   7.583
  575    HA   GLU  70           HA       GLU  70   5.652  13.905   9.703
  576   1HB   GLU  70          2HB       GLU  70   7.415  11.472   9.325
  577   2HB   GLU  70          1HB       GLU  70   7.216  12.293  10.875
  578   1HG   GLU  70          2HG       GLU  70   4.713  11.976  10.602
  579   2HG   GLU  70          1HG       GLU  70   5.073  10.926   9.231
  580    H    LYS  71           H        LYS  71   8.077  13.798   7.233
  581    HA   LYS  71           HA       LYS  71  10.048  15.286   8.893
  582   1HB   LYS  71          2HB       LYS  71  10.495  13.292   7.300
  583   2HB   LYS  71          1HB       LYS  71  10.295  14.465   6.000
  584   1HG   LYS  71          2HG       LYS  71  12.170  15.714   6.668
  585   2HG   LYS  71          1HG       LYS  71  12.157  15.036   8.297
  586   1HD   LYS  71          2HD       LYS  71  12.807  12.836   7.393
  587   2HD   LYS  71          1HD       LYS  71  12.817  13.507   5.762
  588   1HE   LYS  71          2HE       LYS  71  14.837  14.532   6.070
  589   2HE   LYS  71          1HE       LYS  71  14.445  15.009   7.734
  590   1HZ   LYS  71          1HZ       LYS  71  15.083  12.245   6.844
  591   2HZ   LYS  71          2HZ       LYS  71  14.720  12.722   8.434
  592   3HZ   LYS  71          3HZ       LYS  71  16.145  13.268   7.683
  593    H    ASP  72           H        ASP  72   7.768  15.759   6.255
  594    HA   ASP  72           HA       ASP  72   8.798  18.529   5.807
  595   1HB   ASP  72          2HB       ASP  72   8.401  16.747   3.981
  596   2HB   ASP  72          1HB       ASP  72   6.684  17.056   4.235
  597    H    ILE  73           H        ILE  73   6.041  16.754   7.068
  598    HA   ILE  73           HA       ILE  73   4.116  18.900   6.926
  599    HB   ILE  73           HB       ILE  73   3.728  16.403   7.217
  600   1HG1  ILE  73          2HG1      ILE  73   1.916  16.895   9.098
  601   2HG1  ILE  73          1HG1      ILE  73   2.420  18.564   8.817
  602   1HG2  ILE  73          1HG2      ILE  73   3.906  15.396   9.369
  603   2HG2  ILE  73          2HG2      ILE  73   4.201  16.947  10.154
  604   3HG2  ILE  73          3HG2      ILE  73   5.438  16.233   9.119
  605   1HD1  ILE  73          1HD1      ILE  73   1.617  16.676   6.588
  606   2HD1  ILE  73          2HD1      ILE  73   1.875  18.417   6.477
  607   3HD1  ILE  73          3HD1      ILE  73   0.490  17.787   7.368
  608    H    ALA  74           H        ALA  74   6.621  18.045   9.249
  609    HA   ALA  74           HA       ALA  74   5.748  19.617  11.477
  610   1HB   ALA  74          1HB       ALA  74   8.096  19.390  12.170
  611   2HB   ALA  74          2HB       ALA  74   8.559  18.965  10.522
  612   3HB   ALA  74          3HB       ALA  74   7.540  17.875  11.460
  613    H    ALA  75           H        ALA  75   7.941  20.408   8.767
  614    HA   ALA  75           HA       ALA  75   8.200  23.210   9.601
  615   1HB   ALA  75          1HB       ALA  75   8.986  21.815   7.023
  616   2HB   ALA  75          2HB       ALA  75   9.968  21.801   8.488
  617   3HB   ALA  75          3HB       ALA  75   9.652  23.322   7.652
  618    H    TYR  76           H        TYR  76   6.062  21.359   7.560
  619    HA   TYR  76           HA       TYR  76   5.233  23.433   5.743
  620   1HB   TYR  76          2HB       TYR  76   4.876  20.968   5.497
  621   2HB   TYR  76          1HB       TYR  76   3.710  21.034   6.819
  622    HD1  TYR  76           1HD      TYR  76   4.463  22.500   3.461
  623    HD2  TYR  76           2HD      TYR  76   1.462  21.600   6.400
  624    HE1  TYR  76           1HE      TYR  76   2.693  23.185   1.863
  625    HE2  TYR  76           2HE      TYR  76  -0.308  22.285   4.803
  626    HH   TYR  76           HH       TYR  76  -0.591  22.489   2.350
  627    H    ARG  77           H        ARG  77   4.159  22.468   8.985
  628    HA   ARG  77           HA       ARG  77   2.072  24.601   8.961
  629   1HB   ARG  77          2HB       ARG  77   2.708  22.223  10.724
  630   2HB   ARG  77          1HB       ARG  77   1.452  23.395  11.126
  631   1HG   ARG  77          2HG       ARG  77   0.218  22.887   9.131
  632   2HG   ARG  77          1HG       ARG  77   1.550  21.932   8.479
  633   1HD   ARG  77          2HD       ARG  77   1.218  20.182  10.059
  634   2HD   ARG  77          1HD       ARG  77   0.186  21.201  11.083
  635    HE   ARG  77           HE       ARG  77  -0.703  20.692   8.294
  636   1HH1  ARG  77          1HH1      ARG  77  -2.423  21.891  10.485
  637   2HH1  ARG  77          2HH1      ARG  77  -3.409  20.537  10.926
  638   1HH2  ARG  77          1HH2      ARG  77  -1.364  18.204   9.377
  639   2HH2  ARG  77          2HH2      ARG  77  -2.810  18.450  10.299
  640    H    ALA  78           H        ALA  78   5.274  24.626   9.559
  641    HA   ALA  78           HA       ALA  78   6.700  25.884  10.955
  642   1HB   ALA  78          1HB       ALA  78   5.888  28.081  11.331
  643   2HB   ALA  78          2HB       ALA  78   4.226  27.524  11.517
  644   3HB   ALA  78          3HB       ALA  78   4.982  27.525   9.924
  645    H    LYS  79           H        LYS  79   6.753  24.048  12.526
  646    HA   LYS  79           HA       LYS  79   5.307  24.709  15.072
  647   1HB   LYS  79          2HB       LYS  79   5.588  22.270  13.455
  648   2HB   LYS  79          1HB       LYS  79   5.932  22.017  15.165
  649   1HG   LYS  79          2HG       LYS  79   3.764  23.150  15.712
  650   2HG   LYS  79          1HG       LYS  79   3.412  23.221  13.985
  651   1HD   LYS  79          2HD       LYS  79   3.376  20.831  13.803
  652   2HD   LYS  79          1HD       LYS  79   4.046  20.635  15.423
  653   1HE   LYS  79          2HE       LYS  79   1.468  22.148  15.124
  654   2HE   LYS  79          1HE       LYS  79   1.436  20.374  15.043
  655   1HZ   LYS  79          1HZ       LYS  79   2.706  21.992  17.190
  656   2HZ   LYS  79          2HZ       LYS  79   2.719  20.296  17.096
  657   3HZ   LYS  79          3HZ       LYS  79   1.255  21.125  17.336
  Start of MODEL   16
    1   1H    MET   1          1HT       MET   1 -15.577  16.370   1.424
    2   2H    MET   1          2HT       MET   1 -16.121  15.028   0.534
    3   3H    MET   1          3HT       MET   1 -16.695  16.584   0.167
    4    HA   MET   1           HA       MET   1 -15.094  16.084  -1.493
    5   1HB   MET   1          2HB       MET   1 -15.147  18.306  -0.159
    6   2HB   MET   1          1HB       MET   1 -13.666  17.725   0.603
    7   1HG   MET   1          2HG       MET   1 -12.469  17.738  -1.422
    8   2HG   MET   1          1HG       MET   1 -13.939  17.739  -2.396
    9   1HE   MET   1          1HE       MET   1 -13.429  21.128  -3.630
   10   2HE   MET   1          2HE       MET   1 -14.047  19.491  -3.832
   11   3HE   MET   1          3HE       MET   1 -12.314  19.755  -3.667
   12    H    LYS   2           H        LYS   2 -13.783  15.568   1.788
   13    HA   LYS   2           HA       LYS   2 -12.019  14.195   2.556
   14   1HB   LYS   2          2HB       LYS   2 -13.460  12.812   0.371
   15   2HB   LYS   2          1HB       LYS   2 -11.883  12.134   0.780
   16   1HG   LYS   2          2HG       LYS   2 -12.979  12.610   3.272
   17   2HG   LYS   2          1HG       LYS   2 -14.385  12.125   2.328
   18   1HD   LYS   2          2HD       LYS   2 -12.797  10.206   1.480
   19   2HD   LYS   2          1HD       LYS   2 -11.898  10.573   2.953
   20   1HE   LYS   2          2HE       LYS   2 -14.806  10.364   3.380
   21   2HE   LYS   2          1HE       LYS   2 -14.048   8.862   2.817
   22   1HZ   LYS   2          1HZ       LYS   2 -12.341   9.121   4.506
   23   2HZ   LYS   2          2HZ       LYS   2 -13.877   9.072   5.229
   24   3HZ   LYS   2          3HZ       LYS   2 -13.064  10.553   5.055
   25    H    LYS   3           H        LYS   3 -10.047  12.762   1.343
   26    HA   LYS   3           HA       LYS   3  -7.929  13.020   0.337
   27   1HB   LYS   3          2HB       LYS   3 -10.032  13.562  -1.524
   28   2HB   LYS   3          1HB       LYS   3  -8.702  14.658  -1.890
   29   1HG   LYS   3          2HG       LYS   3  -8.104  11.764  -1.365
   30   2HG   LYS   3          1HG       LYS   3  -8.746  12.235  -2.938
   31   1HD   LYS   3          2HD       LYS   3  -6.919  13.950  -3.101
   32   2HD   LYS   3          1HD       LYS   3  -6.232  13.290  -1.616
   33   1HE   LYS   3          2HE       LYS   3  -5.796  11.168  -2.647
   34   2HE   LYS   3          1HE       LYS   3  -6.776  11.585  -4.067
   35   1HZ   LYS   3          1HZ       LYS   3  -5.268  13.445  -4.494
   36   2HZ   LYS   3          2HZ       LYS   3  -4.441  11.961  -4.533
   37   3HZ   LYS   3          3HZ       LYS   3  -4.304  12.978  -3.179
   38    H    LYS   4           H        LYS   4  -6.800  15.136  -1.100
   39    HA   LYS   4           HA       LYS   4  -7.256  17.701   0.153
   40   1HB   LYS   4          2HB       LYS   4  -5.833  15.788   1.627
   41   2HB   LYS   4          1HB       LYS   4  -4.581  16.824   0.945
   42   1HG   LYS   4          2HG       LYS   4  -5.701  18.810   1.851
   43   2HG   LYS   4          1HG       LYS   4  -7.001  17.804   2.490
   44   1HD   LYS   4          2HD       LYS   4  -5.321  16.579   3.872
   45   2HD   LYS   4          1HD       LYS   4  -4.081  17.694   3.298
   46   1HE   LYS   4          2HE       LYS   4  -5.009  19.523   4.453
   47   2HE   LYS   4          1HE       LYS   4  -6.600  18.749   4.586
   48   1HZ   LYS   4          1HZ       LYS   4  -4.101  17.786   5.878
   49   2HZ   LYS   4          2HZ       LYS   4  -5.629  17.051   5.998
   50   3HZ   LYS   4          3HZ       LYS   4  -5.367  18.588   6.673
   51    H    ASP   5           H        ASP   5  -4.508  18.583  -0.073
   52    HA   ASP   5           HA       ASP   5  -4.360  19.224  -2.862
   53   1HB   ASP   5          2HB       ASP   5  -2.687  19.489  -0.409
   54   2HB   ASP   5          1HB       ASP   5  -1.876  19.732  -1.957
   55    HA   PRO   6           HA       PRO   6  -2.301  15.651  -4.454
   56   1HB   PRO   6          2HB       PRO   6  -0.965  16.731  -6.582
   57   2HB   PRO   6          1HB       PRO   6  -2.720  16.471  -6.577
   58   1HG   PRO   6          2HG       PRO   6  -1.178  18.974  -6.146
   59   2HG   PRO   6          1HG       PRO   6  -2.715  18.724  -6.987
   60   1HD   PRO   6          2HD       PRO   6  -2.504  19.739  -4.453
   61   2HD   PRO   6          1HD       PRO   6  -3.937  18.887  -5.067
   62    H    ASN   7           H        ASN   7  -0.252  18.581  -4.294
   63    HA   ASN   7           HA       ASN   7   2.225  17.059  -4.033
   64   1HB   ASN   7          2HB       ASN   7   1.458  19.971  -3.675
   65   2HB   ASN   7          1HB       ASN   7   3.121  19.388  -3.614
   66   1HD2  ASN   7          1HD2      ASN   7   4.047  19.993  -5.589
   67   2HD2  ASN   7          2HD2      ASN   7   3.345  19.713  -7.109
   68    H    ALA   8           H        ALA   8  -0.161  18.326  -1.801
   69    HA   ALA   8           HA       ALA   8   1.591  18.315   0.543
   70   1HB   ALA   8          1HB       ALA   8  -1.433  18.191   0.461
   71   2HB   ALA   8          2HB       ALA   8  -0.556  19.673   0.082
   72   3HB   ALA   8          3HB       ALA   8  -0.411  18.948   1.683
   73    HA   PRO   9           HA       PRO   9   1.259  13.944   1.217
   74   1HB   PRO   9          2HB       PRO   9   1.891  13.827   3.877
   75   2HB   PRO   9          1HB       PRO   9   3.099  14.100   2.607
   76   1HG   PRO   9          2HG       PRO   9   1.794  16.053   4.431
   77   2HG   PRO   9          1HG       PRO   9   3.470  15.983   3.862
   78   1HD   PRO   9          2HD       PRO   9   1.603  17.689   2.835
   79   2HD   PRO   9          1HD       PRO   9   2.987  17.074   1.904
   80    H    LYS  10           H        LYS  10  -0.977  13.543   0.994
   81    HA   LYS  10           HA       LYS  10  -2.999  14.383   2.846
   82   1HB   LYS  10          2HB       LYS  10  -4.369  12.742   1.585
   83   2HB   LYS  10          1HB       LYS  10  -3.382  13.711   0.495
   84   1HG   LYS  10          2HG       LYS  10  -1.674  11.652   1.010
   85   2HG   LYS  10          1HG       LYS  10  -3.224  10.819   1.112
   86   1HD   LYS  10          2HD       LYS  10  -3.835  11.480  -1.104
   87   2HD   LYS  10          1HD       LYS  10  -2.503  12.633  -1.199
   88   1HE   LYS  10          2HE       LYS  10  -1.866   9.737  -0.701
   89   2HE   LYS  10          1HE       LYS  10  -2.251  10.268  -2.350
   90   1HZ   LYS  10          1HZ       LYS  10   0.118  10.528  -1.872
   91   2HZ   LYS  10          2HZ       LYS  10  -0.249  11.537  -0.556
   92   3HZ   LYS  10          3HZ       LYS  10  -0.620  12.031  -2.138
   93    H    ARG  11           H        ARG  11  -4.320  11.829   3.319
   94    HA   ARG  11           HA       ARG  11  -3.334  11.100   5.866
   95   1HB   ARG  11          2HB       ARG  11  -5.194  10.034   3.812
   96   2HB   ARG  11          1HB       ARG  11  -4.634   8.860   5.004
   97   1HG   ARG  11          2HG       ARG  11  -6.573   9.801   5.986
   98   2HG   ARG  11          1HG       ARG  11  -5.237  10.647   6.770
   99   1HD   ARG  11          2HD       ARG  11  -5.491  12.448   4.966
  100   2HD   ARG  11          1HD       ARG  11  -7.029  11.667   4.550
  101    HE   ARG  11           HE       ARG  11  -7.813  12.126   6.830
  102   1HH1  ARG  11          1HH1      ARG  11  -5.311  12.254   8.356
  103   2HH1  ARG  11          2HH1      ARG  11  -5.060  13.956   8.567
  104   1HH2  ARG  11          1HH2      ARG  11  -7.269  14.862   6.053
  105   2HH2  ARG  11          2HH2      ARG  11  -6.168  15.432   7.263
  106    HA   PRO  12           HA       PRO  12   0.180   8.627   4.822
  107   1HB   PRO  12          2HB       PRO  12   0.424   7.148   7.109
  108   2HB   PRO  12          1HB       PRO  12   0.884   8.859   7.007
  109   1HG   PRO  12          2HG       PRO  12  -1.562   7.622   8.153
  110   2HG   PRO  12          1HG       PRO  12  -0.631   9.018   8.708
  111   1HD   PRO  12          2HD       PRO  12  -2.991   9.203   7.334
  112   2HD   PRO  12          1HD       PRO  12  -1.742  10.467   7.344
  113    HA   PRO  13           HA       PRO  13  -2.020   4.916   3.556
  114   1HB   PRO  13          2HB       PRO  13  -0.197   4.043   1.718
  115   2HB   PRO  13          1HB       PRO  13  -1.335   5.363   1.393
  116   1HG   PRO  13          2HG       PRO  13   1.555   5.467   1.953
  117   2HG   PRO  13          1HG       PRO  13   0.540   6.577   1.026
  118   1HD   PRO  13          2HD       PRO  13   1.477   6.952   3.650
  119   2HD   PRO  13          1HD       PRO  13   0.243   7.920   2.820
  120    H    SER  14           H        SER  14  -1.313   2.486   3.383
  121    HA   SER  14           HA       SER  14   1.131   1.651   4.710
  122   1HB   SER  14          2HB       SER  14  -0.132   2.680   6.586
  123   2HB   SER  14          1HB       SER  14  -1.467   1.574   6.280
  124    HG   SER  14           HG       SER  14   0.769   1.173   7.692
  125    H    ALA  15           H        ALA  15   0.443   0.546   2.416
  126    HA   ALA  15           HA       ALA  15   0.098  -1.507   1.392
  127   1HB   ALA  15          1HB       ALA  15  -0.898  -3.007   3.687
  128   2HB   ALA  15          2HB       ALA  15   0.568  -2.115   4.091
  129   3HB   ALA  15          3HB       ALA  15   0.574  -3.256   2.747
  130    H    PHE  16           H        PHE  16  -2.405  -1.727   3.967
  131    HA   PHE  16           HA       PHE  16  -4.521  -2.645   2.435
  132   1HB   PHE  16          2HB       PHE  16  -4.332  -2.159   4.932
  133   2HB   PHE  16          1HB       PHE  16  -4.775  -0.495   4.547
  134    HD1  PHE  16           1HD      PHE  16  -7.020  -0.022   4.919
  135    HD2  PHE  16           2HD      PHE  16  -5.917  -3.900   3.438
  136    HE1  PHE  16           1HE      PHE  16  -9.414  -0.667   4.825
  137    HE2  PHE  16           2HE      PHE  16  -8.311  -4.545   3.345
  138    HZ   PHE  16           HZ       PHE  16 -10.057  -2.929   4.036
  139    H    PHE  17           H        PHE  17  -3.864   0.834   3.038
  140    HA   PHE  17           HA       PHE  17  -5.916   1.889   1.370
  141   1HB   PHE  17          2HB       PHE  17  -4.251   2.967   3.083
  142   2HB   PHE  17          1HB       PHE  17  -3.198   3.159   1.681
  143    HD1  PHE  17           1HD      PHE  17  -3.726   4.715  -0.092
  144    HD2  PHE  17           2HD      PHE  17  -6.453   4.096   3.169
  145    HE1  PHE  17           1HE      PHE  17  -5.013   6.718  -0.789
  146    HE2  PHE  17           2HE      PHE  17  -7.740   6.098   2.472
  147    HZ   PHE  17           HZ       PHE  17  -7.020   7.408   0.493
  148    H    LEU  18           H        LEU  18  -2.574   0.915   0.611
  149    HA   LEU  18           HA       LEU  18  -2.520   1.826  -2.108
  150   1HB   LEU  18          2HB       LEU  18  -1.106  -0.544  -0.832
  151   2HB   LEU  18          1HB       LEU  18  -0.586   0.324  -2.271
  152    HG   LEU  18           HG       LEU  18  -0.717   1.423   0.558
  153   1HD1  LEU  18          1HD1      LEU  18   1.808   1.805  -0.255
  154   2HD1  LEU  18          2HD1      LEU  18   1.420   0.396  -1.243
  155   3HD1  LEU  18          3HD1      LEU  18   1.286   0.307   0.514
  156   1HD2  LEU  18          1HD2      LEU  18   0.319   3.467  -0.485
  157   2HD2  LEU  18          2HD2      LEU  18  -1.346   3.194  -1.002
  158   3HD2  LEU  18          3HD2      LEU  18  -0.009   2.772  -2.073
  159    H    PHE  19           H        PHE  19  -3.418  -1.304  -0.650
  160    HA   PHE  19           HA       PHE  19  -3.959  -2.667  -3.137
  161   1HB   PHE  19          2HB       PHE  19  -3.486  -3.724  -0.927
  162   2HB   PHE  19          1HB       PHE  19  -5.032  -3.121  -0.331
  163    HD1  PHE  19           1HD      PHE  19  -3.467  -5.320  -2.897
  164    HD2  PHE  19           2HD      PHE  19  -7.066  -4.255  -0.808
  165    HE1  PHE  19           1HE      PHE  19  -4.610  -7.299  -3.859
  166    HE2  PHE  19           2HE      PHE  19  -8.209  -6.234  -1.772
  167    HZ   PHE  19           HZ       PHE  19  -6.982  -7.756  -3.297
  168    H    CYS  20           H        CYS  20  -6.151  -1.207  -0.706
  169    HA   CYS  20           HA       CYS  20  -8.613  -1.634  -2.032
  170   1HB   CYS  20          2HB       CYS  20  -7.476   0.223  -0.006
  171   2HB   CYS  20          1HB       CYS  20  -8.994   0.729  -0.746
  172    HG   CYS  20           HG       CYS  20  -9.329  -0.902   1.405
  173    H    SER  21           H        SER  21  -6.637   1.359  -2.115
  174    HA   SER  21           HA       SER  21  -8.139   2.779  -4.048
  175   1HB   SER  21          2HB       SER  21  -6.024   4.036  -4.345
  176   2HB   SER  21          1HB       SER  21  -6.327   3.692  -2.644
  177    HG   SER  21           HG       SER  21  -4.211   3.150  -3.112
  178    H    GLU  22           H        GLU  22  -5.738   0.221  -4.491
  179    HA   GLU  22           HA       GLU  22  -5.610   0.611  -7.408
  180   1HB   GLU  22          2HB       GLU  22  -4.332  -1.066  -5.308
  181   2HB   GLU  22          1HB       GLU  22  -4.278  -1.659  -6.965
  182   1HG   GLU  22          2HG       GLU  22  -3.406   1.119  -6.122
  183   2HG   GLU  22          1HG       GLU  22  -2.303  -0.237  -6.357
  184    H    TYR  23           H        TYR  23  -7.290  -1.462  -5.106
  185    HA   TYR  23           HA       TYR  23  -8.268  -3.225  -7.298
  186   1HB   TYR  23          2HB       TYR  23  -8.012  -3.309  -4.330
  187   2HB   TYR  23          1HB       TYR  23  -9.322  -4.244  -5.046
  188    HD1  TYR  23           1HD      TYR  23  -5.644  -3.623  -5.309
  189    HD2  TYR  23           2HD      TYR  23  -8.896  -6.327  -6.060
  190    HE1  TYR  23           1HE      TYR  23  -4.029  -5.379  -5.987
  191    HE2  TYR  23           2HE      TYR  23  -7.282  -8.083  -6.737
  192    HH   TYR  23           HH       TYR  23  -4.944  -8.184  -7.622
  193    H    ARG  24           H        ARG  24  -9.228  -0.290  -6.442
  194    HA   ARG  24           HA       ARG  24 -12.054  -0.806  -5.845
  195   1HB   ARG  24          2HB       ARG  24 -10.183   1.497  -5.973
  196   2HB   ARG  24          1HB       ARG  24 -11.890   1.831  -6.266
  197   1HG   ARG  24          2HG       ARG  24 -12.535   0.918  -4.151
  198   2HG   ARG  24          1HG       ARG  24 -10.929   0.242  -3.881
  199   1HD   ARG  24          2HD       ARG  24 -10.634   2.169  -2.654
  200   2HD   ARG  24          1HD       ARG  24 -10.311   2.883  -4.246
  201    HE   ARG  24           HE       ARG  24 -13.128   2.857  -3.885
  202   1HH1  ARG  24          1HH1      ARG  24 -11.347   5.262  -4.511
  203   2HH1  ARG  24          2HH1      ARG  24 -11.680   6.281  -3.151
  204   1HH2  ARG  24          1HH2      ARG  24 -13.112   3.747  -1.267
  205   2HH2  ARG  24          2HH2      ARG  24 -12.679   5.423  -1.314
  206    HA   PRO  25           HA       PRO  25 -12.497   1.208 -10.214
  207   1HB   PRO  25          2HB       PRO  25 -10.415   0.870 -11.961
  208   2HB   PRO  25          1HB       PRO  25 -10.633   2.317 -10.958
  209   1HG   PRO  25          2HG       PRO  25  -8.849  -0.025 -10.539
  210   2HG   PRO  25          1HG       PRO  25  -8.540   1.696 -10.256
  211   1HD   PRO  25          2HD       PRO  25  -9.114  -0.031  -8.283
  212   2HD   PRO  25          1HD       PRO  25  -9.574   1.681  -8.200
  213    H    LYS  26           H        LYS  26 -10.924  -1.788  -9.477
  214    HA   LYS  26           HA       LYS  26 -11.698  -3.273 -11.855
  215   1HB   LYS  26          2HB       LYS  26  -9.915  -3.811 -10.090
  216   2HB   LYS  26          1HB       LYS  26 -11.250  -4.262  -9.025
  217   1HG   LYS  26          2HG       LYS  26 -11.116  -5.442 -11.782
  218   2HG   LYS  26          1HG       LYS  26 -10.081  -6.100 -10.514
  219   1HD   LYS  26          2HD       LYS  26 -12.232  -6.198  -9.081
  220   2HD   LYS  26          1HD       LYS  26 -13.095  -5.991 -10.606
  221   1HE   LYS  26          2HE       LYS  26 -10.966  -8.117 -10.339
  222   2HE   LYS  26          1HE       LYS  26 -12.633  -8.426  -9.813
  223   1HZ   LYS  26          1HZ       LYS  26 -13.430  -7.717 -11.968
  224   2HZ   LYS  26          2HZ       LYS  26 -12.310  -8.979 -12.165
  225   3HZ   LYS  26          3HZ       LYS  26 -11.850  -7.374 -12.481
  226    H    ILE  27           H        ILE  27 -12.966  -3.002  -8.539
  227    HA   ILE  27           HA       ILE  27 -15.276  -4.609  -8.728
  228    HB   ILE  27           HB       ILE  27 -14.978  -1.959  -7.271
  229   1HG1  ILE  27          2HG1      ILE  27 -13.040  -3.224  -6.637
  230   2HG1  ILE  27          1HG1      ILE  27 -14.199  -3.405  -5.334
  231   1HG2  ILE  27          1HG2      ILE  27 -16.458  -3.117  -5.599
  232   2HG2  ILE  27          2HG2      ILE  27 -16.664  -4.416  -6.774
  233   3HG2  ILE  27          3HG2      ILE  27 -17.222  -2.787  -7.153
  234   1HD1  ILE  27          1HD1      ILE  27 -13.433  -5.408  -7.445
  235   2HD1  ILE  27          2HD1      ILE  27 -14.944  -5.555  -6.546
  236   3HD1  ILE  27          3HD1      ILE  27 -13.401  -5.589  -5.692
  237    H    LYS  28           H        LYS  28 -14.740  -1.274  -9.728
  238    HA   LYS  28           HA       LYS  28 -17.513  -0.627 -10.183
  239   1HB   LYS  28          2HB       LYS  28 -15.313   0.742 -11.705
  240   2HB   LYS  28          1HB       LYS  28 -16.725   1.434 -10.923
  241   1HG   LYS  28          2HG       LYS  28 -14.130   0.570  -9.683
  242   2HG   LYS  28          1HG       LYS  28 -14.858   2.158  -9.648
  243   1HD   LYS  28          2HD       LYS  28 -15.812  -0.310  -8.154
  244   2HD   LYS  28          1HD       LYS  28 -15.084   1.134  -7.461
  245   1HE   LYS  28          2HE       LYS  28 -17.646   1.257  -9.084
  246   2HE   LYS  28          1HE       LYS  28 -17.639   1.035  -7.322
  247   1HZ   LYS  28          1HZ       LYS  28 -16.150   2.995  -7.188
  248   2HZ   LYS  28          2HZ       LYS  28 -17.702   3.369  -7.770
  249   3HZ   LYS  28          3HZ       LYS  28 -16.391   3.259  -8.846
  250    H    SER  29           H        SER  29 -14.935  -1.845 -12.303
  251    HA   SER  29           HA       SER  29 -16.276  -1.609 -14.801
  252   1HB   SER  29          2HB       SER  29 -13.870  -2.173 -14.378
  253   2HB   SER  29          1HB       SER  29 -14.375  -3.778 -13.853
  254    HG   SER  29           HG       SER  29 -14.308  -2.643 -16.394
  255    H    GLU  30           H        GLU  30 -16.767  -3.868 -12.170
  256    HA   GLU  30           HA       GLU  30 -18.643  -5.454 -13.895
  257   1HB   GLU  30          2HB       GLU  30 -16.560  -6.092 -11.917
  258   2HB   GLU  30          1HB       GLU  30 -18.069  -6.956 -11.641
  259   1HG   GLU  30          2HG       GLU  30 -16.830  -6.819 -14.388
  260   2HG   GLU  30          1HG       GLU  30 -16.343  -8.053 -13.225
  261    H    HIS  31           H        HIS  31 -18.339  -3.514 -11.011
  262    HA   HIS  31           HA       HIS  31 -21.189  -4.155 -10.313
  263   1HB   HIS  31          2HB       HIS  31 -18.968  -3.214  -8.467
  264   2HB   HIS  31          1HB       HIS  31 -20.575  -3.748  -7.994
  265    HD1  HIS  31           1HD      HIS  31 -17.216  -5.002  -8.959
  266    HD2  HIS  31           2HD      HIS  31 -20.996  -6.604  -8.246
  267    HE1  HIS  31           1HE      HIS  31 -16.900  -7.501  -8.741
  268    HA   PRO  32           HA       PRO  32 -21.097   0.269 -11.438
  269   1HB   PRO  32          2HB       PRO  32 -23.685   0.385 -12.314
  270   2HB   PRO  32          1HB       PRO  32 -22.341  -0.157 -13.331
  271   1HG   PRO  32          2HG       PRO  32 -24.417  -1.750 -11.948
  272   2HG   PRO  32          1HG       PRO  32 -23.608  -2.043 -13.493
  273   1HD   PRO  32          2HD       PRO  32 -23.004  -3.327 -11.129
  274   2HD   PRO  32          1HD       PRO  32 -21.913  -3.194 -12.524
  275    H    GLY  33           H        GLY  33 -23.416  -1.585  -9.555
  276   1HA   GLY  33          2HA       GLY  33 -24.525   0.787  -8.233
  277   2HA   GLY  33          1HA       GLY  33 -24.931  -0.888  -7.879
  278    H    LEU  34           H        LEU  34 -21.776  -1.228  -7.785
  279    HA   LEU  34           HA       LEU  34 -21.504  -1.296  -4.949
  280   1HB   LEU  34          2HB       LEU  34 -19.968  -1.829  -7.334
  281   2HB   LEU  34          1HB       LEU  34 -18.949  -0.985  -6.177
  282    HG   LEU  34           HG       LEU  34 -18.861  -3.461  -5.908
  283   1HD1  LEU  34          1HD1      LEU  34 -18.262  -2.562  -3.899
  284   2HD1  LEU  34          2HD1      LEU  34 -19.790  -3.272  -3.376
  285   3HD1  LEU  34          3HD1      LEU  34 -19.710  -1.561  -3.796
  286   1HD2  LEU  34          1HD2      LEU  34 -21.597  -3.353  -6.330
  287   2HD2  LEU  34          2HD2      LEU  34 -21.490  -3.630  -4.593
  288   3HD2  LEU  34          3HD2      LEU  34 -20.720  -4.753  -5.714
  289    H    SER  35           H        SER  35 -22.297   0.886  -4.322
  290    HA   SER  35           HA       SER  35 -20.811   3.287  -5.048
  291   1HB   SER  35          2HB       SER  35 -23.164   3.340  -4.398
  292   2HB   SER  35          1HB       SER  35 -22.785   2.611  -2.840
  293    HG   SER  35           HG       SER  35 -22.183   4.497  -2.131
  294    H    ILE  36           H        ILE  36 -19.799   4.644  -3.179
  295    HA   ILE  36           HA       ILE  36 -17.503   3.408  -2.119
  296    HB   ILE  36           HB       ILE  36 -19.116   5.776  -1.111
  297   1HG1  ILE  36          2HG1      ILE  36 -18.373   5.977  -3.459
  298   2HG1  ILE  36          1HG1      ILE  36 -17.485   7.095  -2.428
  299   1HG2  ILE  36          1HG2      ILE  36 -16.313   4.828  -0.467
  300   2HG2  ILE  36          2HG2      ILE  36 -17.627   5.170   0.660
  301   3HG2  ILE  36          3HG2      ILE  36 -16.836   6.492  -0.199
  302   1HD1  ILE  36          1HD1      ILE  36 -15.657   5.337  -2.278
  303   2HD1  ILE  36          2HD1      ILE  36 -15.870   6.056  -3.873
  304   3HD1  ILE  36          3HD1      ILE  36 -16.514   4.448  -3.538
  305    H    GLY  37           H        GLY  37 -20.773   3.470  -0.831
  306   1HA   GLY  37          2HA       GLY  37 -20.209   2.746   1.870
  307   2HA   GLY  37          1HA       GLY  37 -21.721   2.398   1.028
  308    H    ASP  38           H        ASP  38 -21.572   0.522  -0.569
  309    HA   ASP  38           HA       ASP  38 -20.647  -1.847   0.787
  310   1HB   ASP  38          2HB       ASP  38 -22.565  -1.479  -0.901
  311   2HB   ASP  38          1HB       ASP  38 -21.322  -1.591  -2.149
  312    H    THR  39           H        THR  39 -19.172   0.264  -1.596
  313    HA   THR  39           HA       THR  39 -17.161  -1.576  -2.564
  314    HB   THR  39           HB       THR  39 -17.304   1.454  -2.424
  315    HG1  THR  39           1HG      THR  39 -18.086   1.255  -4.481
  316   1HG2  THR  39          1HG2      THR  39 -15.640   1.309  -4.331
  317   2HG2  THR  39          2HG2      THR  39 -15.421  -0.391  -3.915
  318   3HG2  THR  39          3HG2      THR  39 -14.993   0.864  -2.751
  319    H    ALA  40           H        ALA  40 -17.415   0.510   0.255
  320    HA   ALA  40           HA       ALA  40 -14.595   0.398   0.981
  321   1HB   ALA  40          1HB       ALA  40 -15.459   1.387   3.083
  322   2HB   ALA  40          2HB       ALA  40 -17.105   1.000   2.584
  323   3HB   ALA  40          3HB       ALA  40 -16.166   2.184   1.676
  324    H    LYS  41           H        LYS  41 -17.541  -1.268   2.128
  325    HA   LYS  41           HA       LYS  41 -16.019  -3.042   3.887
  326   1HB   LYS  41          2HB       LYS  41 -18.241  -3.939   4.397
  327   2HB   LYS  41          1HB       LYS  41 -18.292  -2.179   4.387
  328   1HG   LYS  41          2HG       LYS  41 -18.976  -2.506   1.859
  329   2HG   LYS  41          1HG       LYS  41 -19.425  -4.121   2.396
  330   1HD   LYS  41          2HD       LYS  41 -21.361  -2.637   2.563
  331   2HD   LYS  41          1HD       LYS  41 -20.837  -3.116   4.177
  332   1HE   LYS  41          2HE       LYS  41 -19.376  -0.750   3.504
  333   2HE   LYS  41          1HE       LYS  41 -21.084  -0.455   3.116
  334   1HZ   LYS  41          1HZ       LYS  41 -20.688  -0.009   5.446
  335   2HZ   LYS  41          2HZ       LYS  41 -20.032  -1.560   5.668
  336   3HZ   LYS  41          3HZ       LYS  41 -21.678  -1.378   5.289
  337    H    LYS  42           H        LYS  42 -16.880  -3.116   0.528
  338    HA   LYS  42           HA       LYS  42 -17.025  -6.019   0.257
  339   1HB   LYS  42          2HB       LYS  42 -18.129  -4.477  -1.303
  340   2HB   LYS  42          1HB       LYS  42 -16.580  -3.746  -1.713
  341   1HG   LYS  42          2HG       LYS  42 -17.295  -5.356  -3.439
  342   2HG   LYS  42          1HG       LYS  42 -15.811  -5.895  -2.649
  343   1HD   LYS  42          2HD       LYS  42 -16.821  -7.706  -1.698
  344   2HD   LYS  42          1HD       LYS  42 -18.311  -6.824  -1.366
  345   1HE   LYS  42          2HE       LYS  42 -19.279  -7.498  -3.316
  346   2HE   LYS  42          1HE       LYS  42 -17.782  -7.271  -4.242
  347   1HZ   LYS  42          1HZ       LYS  42 -18.364  -9.633  -4.002
  348   2HZ   LYS  42          2HZ       LYS  42 -18.276  -9.478  -2.312
  349   3HZ   LYS  42          3HZ       LYS  42 -16.882  -9.268  -3.263
  350    H    LEU  43           H        LEU  43 -14.593  -3.623  -0.853
  351    HA   LEU  43           HA       LEU  43 -12.542  -5.317  -1.680
  352   1HB   LEU  43          2HB       LEU  43 -12.494  -2.679  -0.192
  353   2HB   LEU  43          1HB       LEU  43 -11.059  -3.386  -0.935
  354    HG   LEU  43           HG       LEU  43 -13.597  -2.991  -2.516
  355   1HD1  LEU  43          1HD1      LEU  43 -12.793  -0.823  -1.447
  356   2HD1  LEU  43          2HD1      LEU  43 -12.845  -0.822  -3.210
  357   3HD1  LEU  43          3HD1      LEU  43 -11.305  -1.018  -2.374
  358   1HD2  LEU  43          1HD2      LEU  43 -10.659  -3.141  -3.270
  359   2HD2  LEU  43          2HD2      LEU  43 -12.008  -3.007  -4.399
  360   3HD2  LEU  43          3HD2      LEU  43 -11.818  -4.462  -3.421
  361    H    GLY  44           H        GLY  44 -13.529  -4.641   1.629
  362   1HA   GLY  44          2HA       GLY  44 -11.167  -5.557   2.970
  363   2HA   GLY  44          1HA       GLY  44 -12.783  -5.513   3.679
  364    H    GLU  45           H        GLU  45 -14.066  -7.224   1.789
  365    HA   GLU  45           HA       GLU  45 -13.766  -9.787   2.898
  366   1HB   GLU  45          2HB       GLU  45 -15.457  -8.648   1.194
  367   2HB   GLU  45          1HB       GLU  45 -14.443  -9.458   0.000
  368   1HG   GLU  45          2HG       GLU  45 -16.160 -11.024   0.510
  369   2HG   GLU  45          1HG       GLU  45 -14.749 -11.581   1.409
  370    H    MET  46           H        MET  46 -12.099  -8.412   0.067
  371    HA   MET  46           HA       MET  46 -10.694 -10.861  -0.638
  372   1HB   MET  46          2HB       MET  46 -10.391  -7.917  -1.289
  373   2HB   MET  46          1HB       MET  46  -9.335  -9.148  -1.986
  374   1HG   MET  46          2HG       MET  46 -12.341  -9.376  -2.140
  375   2HG   MET  46          1HG       MET  46 -11.419  -8.485  -3.350
  376   1HE   MET  46          1HE       MET  46 -11.356 -11.172  -5.787
  377   2HE   MET  46          2HE       MET  46 -10.628  -9.599  -5.473
  378   3HE   MET  46          3HE       MET  46 -12.341  -9.850  -5.142
  379    H    TRP  47           H        TRP  47  -9.796  -7.874   1.085
  380    HA   TRP  47           HA       TRP  47  -7.086  -8.370   1.639
  381   1HB   TRP  47          2HB       TRP  47  -8.498  -6.331   2.143
  382   2HB   TRP  47          1HB       TRP  47  -9.125  -7.192   3.548
  383    HD1  TRP  47           HD       TRP  47  -7.887  -6.613   5.675
  384    HE1  TRP  47           1HE      TRP  47  -5.476  -5.941   6.296
  385    HE3  TRP  47           3HE      TRP  47  -5.725  -6.713   1.051
  386    HZ2  TRP  47           2HZ      TRP  47  -2.964  -5.503   5.001
  387    HZ3  TRP  47           3HZ      TRP  47  -3.324  -6.165   0.773
  388    HH2  TRP  47           HH       TRP  47  -1.942  -5.560   2.741
  389    H    SER  48           H        SER  48  -9.806  -9.157   3.866
  390    HA   SER  48           HA       SER  48  -8.277 -10.654   5.739
  391   1HB   SER  48          2HB       SER  48 -10.655  -9.738   5.888
  392   2HB   SER  48          1HB       SER  48 -11.161 -11.137   4.943
  393    HG   SER  48           HG       SER  48 -11.324 -11.548   7.173
  394    H    GLU  49           H        GLU  49  -9.768 -11.607   2.683
  395    HA   GLU  49           HA       GLU  49  -9.576 -14.453   2.978
  396   1HB   GLU  49          2HB       GLU  49  -9.949 -12.429   0.845
  397   2HB   GLU  49          1HB       GLU  49  -9.318 -13.981   0.296
  398   1HG   GLU  49          2HG       GLU  49 -11.202 -15.068   1.634
  399   2HG   GLU  49          1HG       GLU  49 -11.891 -13.452   1.793
  400    H    GLN  50           H        GLN  50  -7.311 -12.040   1.649
  401    HA   GLN  50           HA       GLN  50  -5.282 -13.878   0.781
  402   1HB   GLN  50          2HB       GLN  50  -5.217 -10.984   1.694
  403   2HB   GLN  50          1HB       GLN  50  -3.866 -11.794   0.901
  404   1HG   GLN  50          2HG       GLN  50  -6.604 -11.794  -0.356
  405   2HG   GLN  50          1HG       GLN  50  -5.511 -10.426  -0.578
  406   1HE2  GLN  50          1HE2      GLN  50  -6.448 -13.117  -2.176
  407   2HE2  GLN  50          2HE2      GLN  50  -4.998 -13.537  -2.954
  408    H    SER  51           H        SER  51  -3.266 -14.391   1.826
  409    HA   SER  51           HA       SER  51  -3.471 -14.558   4.797
  410   1HB   SER  51          2HB       SER  51  -1.884 -16.373   4.521
  411   2HB   SER  51          1HB       SER  51  -3.123 -16.564   3.282
  412    HG   SER  51           HG       SER  51  -0.627 -16.519   2.830
  413    H    ALA  52           H        ALA  52  -0.517 -14.916   5.002
  414    HA   ALA  52           HA       ALA  52   0.222 -12.089   5.253
  415   1HB   ALA  52          1HB       ALA  52   0.883 -13.635   6.971
  416   2HB   ALA  52          2HB       ALA  52   2.359 -13.203   6.107
  417   3HB   ALA  52          3HB       ALA  52   1.571 -14.749   5.788
  418    H    LYS  53           H        LYS  53  -0.196 -12.293   2.608
  419    HA   LYS  53           HA       LYS  53   2.554 -12.413   1.427
  420   1HB   LYS  53          2HB       LYS  53   0.699 -14.337   1.055
  421   2HB   LYS  53          1HB       LYS  53   0.194 -13.214  -0.209
  422   1HG   LYS  53          2HG       LYS  53   2.388 -13.250  -1.218
  423   2HG   LYS  53          1HG       LYS  53   3.045 -14.180   0.130
  424   1HD   LYS  53          2HD       LYS  53   1.881 -16.133  -0.489
  425   2HD   LYS  53          1HD       LYS  53   0.738 -15.241  -1.493
  426   1HE   LYS  53          2HE       LYS  53   2.349 -14.889  -3.212
  427   2HE   LYS  53          1HE       LYS  53   3.695 -15.343  -2.146
  428   1HZ   LYS  53          1HZ       LYS  53   1.475 -17.132  -2.993
  429   2HZ   LYS  53          2HZ       LYS  53   2.745 -17.559  -1.947
  430   3HZ   LYS  53          3HZ       LYS  53   3.067 -17.196  -3.576
  431    H    ASP  54           H        ASP  54  -0.808 -11.272   1.024
  432    HA   ASP  54           HA       ASP  54  -0.310  -9.387  -1.071
  433   1HB   ASP  54          2HB       ASP  54  -2.483 -10.391   0.088
  434   2HB   ASP  54          1HB       ASP  54  -2.375  -8.916   1.050
  435    H    LYS  55           H        LYS  55   0.018  -9.129   2.461
  436    HA   LYS  55           HA       LYS  55   0.545  -6.225   2.293
  437   1HB   LYS  55          2HB       LYS  55  -0.827  -7.370   4.073
  438   2HB   LYS  55          1HB       LYS  55   0.656  -8.128   4.650
  439   1HG   LYS  55          2HG       LYS  55   1.593  -6.062   5.306
  440   2HG   LYS  55          1HG       LYS  55   0.463  -5.136   4.316
  441   1HD   LYS  55          2HD       LYS  55  -0.501  -4.852   6.404
  442   2HD   LYS  55          1HD       LYS  55  -1.337  -6.312   5.874
  443   1HE   LYS  55          2HE       LYS  55   0.347  -7.699   7.070
  444   2HE   LYS  55          1HE       LYS  55   1.132  -6.216   7.648
  445   1HZ   LYS  55          1HZ       LYS  55  -1.700  -6.996   8.108
  446   2HZ   LYS  55          2HZ       LYS  55  -1.005  -5.521   8.587
  447   3HZ   LYS  55          3HZ       LYS  55  -0.469  -6.979   9.274
  448    H    GLN  56           H        GLN  56   2.471  -8.417   1.191
  449    HA   GLN  56           HA       GLN  56   4.834  -7.904   2.924
  450   1HB   GLN  56          2HB       GLN  56   3.961  -9.919   0.954
  451   2HB   GLN  56          1HB       GLN  56   5.672  -9.509   0.858
  452   1HG   GLN  56          2HG       GLN  56   4.340 -10.146   3.493
  453   2HG   GLN  56          1HG       GLN  56   5.022 -11.409   2.468
  454   1HE2  GLN  56          1HE2      GLN  56   5.802  -9.279   4.971
  455   2HE2  GLN  56          2HE2      GLN  56   7.490  -9.286   4.795
  456    HA   PRO  57           HA       PRO  57   6.458  -6.020  -1.090
  457   1HB   PRO  57          2HB       PRO  57   5.017  -6.088  -3.393
  458   2HB   PRO  57          1HB       PRO  57   6.080  -7.418  -2.890
  459   1HG   PRO  57          2HG       PRO  57   3.138  -7.196  -2.761
  460   2HG   PRO  57          1HG       PRO  57   4.148  -8.618  -3.040
  461   1HD   PRO  57          2HD       PRO  57   2.908  -7.962  -0.650
  462   2HD   PRO  57          1HD       PRO  57   4.269  -9.087  -0.836
  463    H    TYR  58           H        TYR  58   2.956  -5.706  -0.761
  464    HA   TYR  58           HA       TYR  58   2.870  -2.952  -1.754
  465   1HB   TYR  58          2HB       TYR  58   1.052  -5.081  -0.809
  466   2HB   TYR  58          1HB       TYR  58   0.487  -3.442  -0.491
  467    HD1  TYR  58           1HD      TYR  58   1.844  -5.632  -3.200
  468    HD2  TYR  58           2HD      TYR  58  -0.469  -2.149  -2.216
  469    HE1  TYR  58           1HE      TYR  58   1.178  -5.403  -5.578
  470    HE2  TYR  58           2HE      TYR  58  -1.135  -1.920  -4.594
  471    HH   TYR  58           HH       TYR  58  -1.348  -3.437  -6.596
  472    H    GLU  59           H        GLU  59   3.735  -4.312   1.271
  473    HA   GLU  59           HA       GLU  59   2.647  -2.133   2.918
  474   1HB   GLU  59          2HB       GLU  59   3.678  -3.388   4.729
  475   2HB   GLU  59          1HB       GLU  59   2.899  -4.516   3.631
  476   1HG   GLU  59          2HG       GLU  59   4.905  -5.604   3.671
  477   2HG   GLU  59          1HG       GLU  59   5.402  -4.358   2.528
  478    H    GLN  60           H        GLN  60   5.660  -2.832   1.263
  479    HA   GLN  60           HA       GLN  60   7.255  -0.901   2.772
  480   1HB   GLN  60          2HB       GLN  60   8.933  -1.440   1.016
  481   2HB   GLN  60          1HB       GLN  60   8.229  -2.891   1.726
  482   1HG   GLN  60          2HG       GLN  60   6.946  -3.354  -0.168
  483   2HG   GLN  60          1HG       GLN  60   7.010  -1.690  -0.748
  484   1HE2  GLN  60          1HE2      GLN  60   9.061  -4.601  -0.284
  485   2HE2  GLN  60          2HE2      GLN  60  10.174  -4.200  -1.500
  486    H    LYS  61           H        LYS  61   5.138  -0.764   0.005
  487    HA   LYS  61           HA       LYS  61   6.209   1.579  -1.283
  488   1HB   LYS  61          2HB       LYS  61   4.660   0.055  -2.382
  489   2HB   LYS  61          1HB       LYS  61   3.444   0.325  -1.137
  490   1HG   LYS  61          2HG       LYS  61   3.106   2.598  -1.844
  491   2HG   LYS  61          1HG       LYS  61   4.503   2.533  -2.920
  492   1HD   LYS  61          2HD       LYS  61   3.172   0.496  -3.979
  493   2HD   LYS  61          1HD       LYS  61   1.786   1.321  -3.261
  494   1HE   LYS  61          2HE       LYS  61   2.525   3.436  -4.419
  495   2HE   LYS  61          1HE       LYS  61   3.757   2.475  -5.263
  496   1HZ   LYS  61          1HZ       LYS  61   2.089   1.063  -6.162
  497   2HZ   LYS  61          2HZ       LYS  61   1.596   2.659  -6.472
  498   3HZ   LYS  61          3HZ       LYS  61   0.874   1.772  -5.216
  499    H    ALA  62           H        ALA  62   3.688   1.157   1.220
  500    HA   ALA  62           HA       ALA  62   3.257   4.045   1.469
  501   1HB   ALA  62          1HB       ALA  62   2.300   1.508   2.762
  502   2HB   ALA  62          2HB       ALA  62   1.364   2.768   1.959
  503   3HB   ALA  62          3HB       ALA  62   2.001   3.042   3.579
  504    H    ALA  63           H        ALA  63   5.530   1.767   2.739
  505    HA   ALA  63           HA       ALA  63   6.063   2.843   5.327
  506   1HB   ALA  63          1HB       ALA  63   7.923   1.603   3.264
  507   2HB   ALA  63          2HB       ALA  63   6.942   0.708   4.425
  508   3HB   ALA  63          3HB       ALA  63   8.259   1.735   4.991
  509    H    LYS  64           H        LYS  64   7.005   3.902   2.073
  510    HA   LYS  64           HA       LYS  64   8.974   5.855   2.949
  511   1HB   LYS  64          2HB       LYS  64   9.047   4.888   0.739
  512   2HB   LYS  64          1HB       LYS  64   7.380   5.344   0.436
  513   1HG   LYS  64          2HG       LYS  64   7.997   7.366  -0.327
  514   2HG   LYS  64          1HG       LYS  64   8.915   7.691   1.144
  515   1HD   LYS  64          2HD       LYS  64  10.489   7.764  -0.666
  516   2HD   LYS  64          1HD       LYS  64  10.762   6.236   0.175
  517   1HE   LYS  64          2HE       LYS  64   9.764   4.967  -1.535
  518   2HE   LYS  64          1HE       LYS  64   8.861   6.359  -2.168
  519   1HZ   LYS  64          1HZ       LYS  64  10.774   5.944  -3.561
  520   2HZ   LYS  64          2HZ       LYS  64  11.814   6.004  -2.218
  521   3HZ   LYS  64          3HZ       LYS  64  10.996   7.404  -2.726
  522    H    LEU  65           H        LEU  65   5.775   6.273   1.419
  523    HA   LEU  65           HA       LEU  65   5.281   8.957   1.778
  524   1HB   LEU  65          2HB       LEU  65   3.528   6.517   2.003
  525   2HB   LEU  65          1HB       LEU  65   2.839   8.136   2.102
  526    HG   LEU  65           HG       LEU  65   4.569   8.244  -0.112
  527   1HD1  LEU  65          1HD1      LEU  65   4.769   5.855  -0.254
  528   2HD1  LEU  65          2HD1      LEU  65   3.625   6.342  -1.504
  529   3HD1  LEU  65          3HD1      LEU  65   3.039   5.634   0.001
  530   1HD2  LEU  65          1HD2      LEU  65   1.600   7.679  -0.258
  531   2HD2  LEU  65          2HD2      LEU  65   2.573   8.672  -1.342
  532   3HD2  LEU  65          3HD2      LEU  65   2.233   9.229   0.296
  533    H    LYS  66           H        LYS  66   5.343   6.581   4.388
  534    HA   LYS  66           HA       LYS  66   3.893   8.093   6.368
  535   1HB   LYS  66          2HB       LYS  66   4.496   5.669   6.475
  536   2HB   LYS  66          1HB       LYS  66   6.188   6.123   6.672
  537   1HG   LYS  66          2HG       LYS  66   5.473   5.811   8.889
  538   2HG   LYS  66          1HG       LYS  66   5.334   7.555   8.671
  539   1HD   LYS  66          2HD       LYS  66   3.169   7.385   9.272
  540   2HD   LYS  66          1HD       LYS  66   2.879   6.521   7.764
  541   1HE   LYS  66          2HE       LYS  66   3.808   5.164  10.319
  542   2HE   LYS  66          1HE       LYS  66   2.115   5.241   9.795
  543   1HZ   LYS  66          1HZ       LYS  66   3.211   3.225   8.981
  544   2HZ   LYS  66          2HZ       LYS  66   4.368   4.173   8.174
  545   3HZ   LYS  66          3HZ       LYS  66   2.737   4.230   7.700
  546    H    GLU  67           H        GLU  67   7.347   7.876   5.519
  547    HA   GLU  67           HA       GLU  67   8.308   9.722   7.509
  548   1HB   GLU  67          2HB       GLU  67   9.304   8.681   4.850
  549   2HB   GLU  67          1HB       GLU  67  10.254   9.823   5.802
  550   1HG   GLU  67          2HG       GLU  67  10.134   8.260   7.739
  551   2HG   GLU  67          1HG       GLU  67   9.277   7.103   6.720
  552    H    LYS  68           H        LYS  68   7.831  10.201   3.978
  553    HA   LYS  68           HA       LYS  68   8.285  12.965   3.816
  554   1HB   LYS  68          2HB       LYS  68   6.675  10.925   2.355
  555   2HB   LYS  68          1HB       LYS  68   6.350  12.616   1.973
  556   1HG   LYS  68          2HG       LYS  68   8.071  12.112   0.474
  557   2HG   LYS  68          1HG       LYS  68   8.960  12.809   1.829
  558   1HD   LYS  68          2HD       LYS  68   9.501  10.605   2.684
  559   2HD   LYS  68          1HD       LYS  68   8.477   9.839   1.469
  560   1HE   LYS  68          2HE       LYS  68  10.763  11.636   0.642
  561   2HE   LYS  68          1HE       LYS  68  11.024   9.913   0.981
  562   1HZ   LYS  68          1HZ       LYS  68   9.053  11.058  -0.927
  563   2HZ   LYS  68          2HZ       LYS  68   9.167   9.410  -0.528
  564   3HZ   LYS  68          3HZ       LYS  68  10.449  10.183  -1.330
  565    H    TYR  69           H        TYR  69   5.408  11.279   4.983
  566    HA   TYR  69           HA       TYR  69   3.707  13.651   5.088
  567   1HB   TYR  69          2HB       TYR  69   2.813  11.374   4.878
  568   2HB   TYR  69          1HB       TYR  69   3.595  10.900   6.384
  569    HD1  TYR  69           1HD      TYR  69   0.727  12.572   4.874
  570    HD2  TYR  69           2HD      TYR  69   2.830  11.888   8.556
  571    HE1  TYR  69           1HE      TYR  69  -1.256  13.336   6.151
  572    HE2  TYR  69           2HE      TYR  69   0.848  12.652   9.832
  573    HH   TYR  69           HH       TYR  69  -1.436  14.426   8.788
  574    H    GLU  70           H        GLU  70   4.992  11.582   7.691
  575    HA   GLU  70           HA       GLU  70   4.598  13.424   9.826
  576   1HB   GLU  70          2HB       GLU  70   6.451  11.089   9.341
  577   2HB   GLU  70          1HB       GLU  70   6.428  11.940  10.886
  578   1HG   GLU  70          2HG       GLU  70   3.848  11.582  10.778
  579   2HG   GLU  70          1HG       GLU  70   4.234  10.341   9.585
  580    H    LYS  71           H        LYS  71   7.045  13.429   7.343
  581    HA   LYS  71           HA       LYS  71   8.850  15.165   8.954
  582   1HB   LYS  71          2HB       LYS  71   9.060  13.805   6.253
  583   2HB   LYS  71          1HB       LYS  71  10.337  14.799   6.953
  584   1HG   LYS  71          2HG       LYS  71   9.147  12.501   8.499
  585   2HG   LYS  71          1HG       LYS  71  10.453  12.237   7.342
  586   1HD   LYS  71          2HD       LYS  71  10.648  14.339   9.502
  587   2HD   LYS  71          1HD       LYS  71  11.138  12.668   9.785
  588   1HE   LYS  71          2HE       LYS  71  12.883  12.780   8.191
  589   2HE   LYS  71          1HE       LYS  71  12.192  14.218   7.412
  590   1HZ   LYS  71          1HZ       LYS  71  12.545  15.456   9.459
  591   2HZ   LYS  71          2HZ       LYS  71  14.016  14.828   8.887
  592   3HZ   LYS  71          3HZ       LYS  71  13.226  14.088  10.196
  593    H    ASP  72           H        ASP  72   6.551  15.354   6.304
  594    HA   ASP  72           HA       ASP  72   7.463  18.126   5.655
  595   1HB   ASP  72          2HB       ASP  72   7.168  16.334   3.898
  596   2HB   ASP  72          1HB       ASP  72   5.441  16.350   4.259
  597    H    ILE  73           H        ILE  73   4.738  16.311   6.974
  598    HA   ILE  73           HA       ILE  73   2.766  18.393   6.796
  599    HB   ILE  73           HB       ILE  73   2.454  15.909   7.212
  600   1HG1  ILE  73          2HG1      ILE  73   0.680  16.434   9.124
  601   2HG1  ILE  73          1HG1      ILE  73   1.122  18.100   8.747
  602   1HG2  ILE  73          1HG2      ILE  73   4.223  15.915   9.092
  603   2HG2  ILE  73          2HG2      ILE  73   2.753  14.981   9.369
  604   3HG2  ILE  73          3HG2      ILE  73   2.944  16.566  10.118
  605   1HD1  ILE  73          1HD1      ILE  73   0.567  17.770   6.401
  606   2HD1  ILE  73          2HD1      ILE  73  -0.809  17.266   7.383
  607   3HD1  ILE  73          3HD1      ILE  73   0.263  16.055   6.679
  608    H    ALA  74           H        ALA  74   5.228  17.626   9.229
  609    HA   ALA  74           HA       ALA  74   4.363  19.389  11.308
  610   1HB   ALA  74          1HB       ALA  74   6.054  17.663  11.623
  611   2HB   ALA  74          2HB       ALA  74   6.792  19.226  11.968
  612   3HB   ALA  74          3HB       ALA  74   7.105  18.424  10.430
  613    H    ALA  75           H        ALA  75   6.695  19.911   8.645
  614    HA   ALA  75           HA       ALA  75   7.085  22.733   9.265
  615   1HB   ALA  75          1HB       ALA  75   8.320  22.648   7.092
  616   2HB   ALA  75          2HB       ALA  75   7.699  21.018   6.835
  617   3HB   ALA  75          3HB       ALA  75   8.791  21.344   8.182
  618    H    TYR  76           H        TYR  76   4.797  20.894   7.367
  619    HA   TYR  76           HA       TYR  76   3.957  22.961   5.543
  620   1HB   TYR  76          2HB       TYR  76   3.535  20.505   5.341
  621   2HB   TYR  76          1HB       TYR  76   2.427  20.609   6.710
  622    HD1  TYR  76           1HD      TYR  76   3.026  21.739   3.223
  623    HD2  TYR  76           2HD      TYR  76   0.213  21.499   6.461
  624    HE1  TYR  76           1HE      TYR  76   1.205  22.442   1.693
  625    HE2  TYR  76           2HE      TYR  76  -1.608  22.202   4.931
  626    HH   TYR  76           HH       TYR  76  -1.477  22.052   1.729
  627    H    ARG  77           H        ARG  77   3.096  22.141   8.866
  628    HA   ARG  77           HA       ARG  77   1.044  24.319   8.892
  629   1HB   ARG  77          2HB       ARG  77   1.624  21.989  10.747
  630   2HB   ARG  77          1HB       ARG  77   0.308  23.143  10.968
  631   1HG   ARG  77          2HG       ARG  77  -0.789  22.435   8.980
  632   2HG   ARG  77          1HG       ARG  77   0.636  21.565   8.413
  633   1HD   ARG  77          2HD       ARG  77  -0.631  19.795   9.262
  634   2HD   ARG  77          1HD       ARG  77   0.301  20.235  10.707
  635    HE   ARG  77           HE       ARG  77  -1.654  21.667  11.378
  636   1HH1  ARG  77          1HH2      ARG  77  -2.717  20.946   8.438
  637   2HH1  ARG  77          2HH2      ARG  77  -4.119  20.038   8.894
  638   1HH2  ARG  77          1HH1      ARG  77  -3.178  19.750  12.219
  639   2HH2  ARG  77          2HH1      ARG  77  -4.381  19.361  11.035
  640    H    ALA  78           H        ALA  78   4.268  24.139   9.436
  641    HA   ALA  78           HA       ALA  78   5.787  25.341  10.777
  642   1HB   ALA  78          1HB       ALA  78   5.108  27.563  11.178
  643   2HB   ALA  78          2HB       ALA  78   3.442  27.090  11.511
  644   3HB   ALA  78          3HB       ALA  78   4.052  27.065   9.856
  645    H    LYS  79           H        LYS  79   5.615  23.337  12.232
  646    HA   LYS  79           HA       LYS  79   4.665  24.172  14.948
  647   1HB   LYS  79          2HB       LYS  79   3.303  22.437  13.418
  648   2HB   LYS  79          1HB       LYS  79   4.475  21.315  14.113
  649   1HG   LYS  79          2HG       LYS  79   2.884  21.230  15.774
  650   2HG   LYS  79          1HG       LYS  79   3.805  22.615  16.355
  651   1HD   LYS  79          2HD       LYS  79   1.630  23.147  14.383
  652   2HD   LYS  79          1HD       LYS  79   1.150  22.731  16.029
  653   1HE   LYS  79          2HE       LYS  79   3.098  24.530  16.583
  654   2HE   LYS  79          1HE       LYS  79   2.525  25.170  15.029
  655   1HZ   LYS  79          1HZ       LYS  79   0.292  25.163  15.814
  656   2HZ   LYS  79          2HZ       LYS  79   1.228  25.957  16.989
  657   3HZ   LYS  79          3HZ       LYS  79   0.722  24.355  17.243
  Start of MODEL   17
    1   1H    MET   1          1HT       MET   1  -9.108  17.484  -3.140
    2   2H    MET   1          2HT       MET   1  -9.988  18.115  -4.449
    3   3H    MET   1          3HT       MET   1  -8.875  16.855  -4.698
    4    HA   MET   1           HA       MET   1 -11.427  16.675  -3.175
    5   1HB   MET   1          2HB       MET   1 -11.257  16.836  -5.772
    6   2HB   MET   1          1HB       MET   1 -10.578  15.211  -5.673
    7   1HG   MET   1          2HG       MET   1 -12.571  14.401  -4.528
    8   2HG   MET   1          1HG       MET   1 -13.240  16.032  -4.475
    9   1HE   MET   1          1HE       MET   1 -13.175  17.482  -6.411
   10   2HE   MET   1          2HE       MET   1 -14.844  16.977  -6.664
   11   3HE   MET   1          3HE       MET   1 -13.737  17.050  -8.032
   12    H    LYS   2           H        LYS   2  -8.916  14.630  -4.724
   13    HA   LYS   2           HA       LYS   2  -8.763  13.018  -2.205
   14   1HB   LYS   2          2HB       LYS   2  -9.735  12.299  -4.891
   15   2HB   LYS   2          1HB       LYS   2  -8.535  11.175  -4.255
   16   1HG   LYS   2          2HG       LYS   2 -10.471  10.268  -3.356
   17   2HG   LYS   2          1HG       LYS   2 -10.000  11.363  -2.055
   18   1HD   LYS   2          2HD       LYS   2 -11.701  12.844  -2.498
   19   2HD   LYS   2          1HD       LYS   2 -11.696  12.498  -4.227
   20   1HE   LYS   2          2HE       LYS   2 -12.490  10.079  -3.150
   21   2HE   LYS   2          1HE       LYS   2 -13.269  11.262  -2.080
   22   1HZ   LYS   2          1HZ       LYS   2 -13.344  11.305  -5.051
   23   2HZ   LYS   2          2HZ       LYS   2 -14.067  12.452  -4.027
   24   3HZ   LYS   2          3HZ       LYS   2 -14.629  10.850  -4.042
   25    H    LYS   3           H        LYS   3  -6.911  11.168  -2.951
   26    HA   LYS   3           HA       LYS   3  -4.587  10.872  -3.210
   27   1HB   LYS   3          2HB       LYS   3  -5.705  11.771  -5.545
   28   2HB   LYS   3          1HB       LYS   3  -4.443  12.976  -5.286
   29   1HG   LYS   3          2HG       LYS   3  -2.926  10.893  -4.797
   30   2HG   LYS   3          1HG       LYS   3  -4.169  10.009  -5.683
   31   1HD   LYS   3          2HD       LYS   3  -3.876  11.427  -7.629
   32   2HD   LYS   3          1HD       LYS   3  -2.764  12.475  -6.746
   33   1HE   LYS   3          2HE       LYS   3  -1.235  10.488  -6.446
   34   2HE   LYS   3          1HE       LYS   3  -2.303   9.579  -7.535
   35   1HZ   LYS   3          1HZ       LYS   3  -0.477  10.708  -8.725
   36   2HZ   LYS   3          2HZ       LYS   3  -1.069  12.205  -8.182
   37   3HZ   LYS   3          3HZ       LYS   3  -2.008  11.243  -9.223
   38    H    LYS   4           H        LYS   4  -2.514  12.555  -3.758
   39    HA   LYS   4           HA       LYS   4  -2.782  14.921  -2.029
   40   1HB   LYS   4          2HB       LYS   4  -0.738  14.166  -0.828
   41   2HB   LYS   4          1HB       LYS   4  -2.089  13.071  -0.597
   42   1HG   LYS   4          2HG       LYS   4  -0.543  11.485  -1.162
   43   2HG   LYS   4          1HG       LYS   4  -0.936  11.972  -2.807
   44   1HD   LYS   4          2HD       LYS   4   1.446  12.045  -2.663
   45   2HD   LYS   4          1HD       LYS   4   0.913  13.724  -2.584
   46   1HE   LYS   4          2HE       LYS   4   2.492  13.534  -0.812
   47   2HE   LYS   4          1HE       LYS   4   0.925  13.373   0.004
   48   1HZ   LYS   4          1HZ       LYS   4   1.080  11.011  -0.100
   49   2HZ   LYS   4          2HZ       LYS   4   2.538  11.580   0.563
   50   3HZ   LYS   4          3HZ       LYS   4   2.477  11.076  -1.059
   51    H    ASP   5           H        ASP   5  -0.567  16.158  -2.113
   52    HA   ASP   5           HA       ASP   5   0.253  16.292  -4.976
   53   1HB   ASP   5          2HB       ASP   5  -0.460  18.151  -2.989
   54   2HB   ASP   5          1HB       ASP   5   1.283  18.346  -3.172
   55    HA   PRO   6           HA       PRO   6   4.247  14.650  -4.078
   56   1HB   PRO   6          2HB       PRO   6   5.836  16.034  -5.823
   57   2HB   PRO   6          1HB       PRO   6   4.726  14.748  -6.334
   58   1HG   PRO   6          2HG       PRO   6   4.383  17.702  -6.463
   59   2HG   PRO   6          1HG       PRO   6   3.921  16.460  -7.638
   60   1HD   PRO   6          2HD       PRO   6   2.152  17.636  -5.943
   61   2HD   PRO   6          1HD       PRO   6   1.959  15.979  -6.557
   62    H    ASN   7           H        ASN   7   3.688  18.092  -3.828
   63    HA   ASN   7           HA       ASN   7   6.234  18.538  -2.358
   64   1HB   ASN   7          2HB       ASN   7   4.035  20.219  -3.550
   65   2HB   ASN   7          1HB       ASN   7   5.159  20.928  -2.390
   66   1HD2  ASN   7          1HD2      ASN   7   6.883  21.923  -3.426
   67   2HD2  ASN   7          2HD2      ASN   7   7.596  21.394  -4.873
   68    H    ALA   8           H        ALA   8   2.764  18.234  -1.838
   69    HA   ALA   8           HA       ALA   8   3.090  18.971   1.042
   70   1HB   ALA   8          1HB       ALA   8   0.617  19.168   0.935
   71   2HB   ALA   8          2HB       ALA   8   0.657  18.624  -0.742
   72   3HB   ALA   8          3HB       ALA   8   1.394  20.163  -0.295
   73    HA   PRO   9           HA       PRO   9   2.859  14.412   1.283
   74   1HB   PRO   9          2HB       PRO   9   3.960  14.204   3.777
   75   2HB   PRO   9          1HB       PRO   9   4.935  14.359   2.304
   76   1HG   PRO   9          2HG       PRO   9   4.202  16.432   4.310
   77   2HG   PRO   9          1HG       PRO   9   5.731  16.182   3.453
   78   1HD   PRO   9          2HD       PRO   9   3.917  18.088   2.751
   79   2HD   PRO   9          1HD       PRO   9   5.027  17.321   1.593
   80    H    LYS  10           H        LYS  10   0.504  14.689   1.423
   81    HA   LYS  10           HA       LYS  10  -0.904  15.571   3.738
   82   1HB   LYS  10          2HB       LYS  10  -1.438  14.601   1.149
   83   2HB   LYS  10          1HB       LYS  10  -2.259  13.477   2.229
   84   1HG   LYS  10          2HG       LYS  10  -3.775  15.295   1.693
   85   2HG   LYS  10          1HG       LYS  10  -3.305  15.435   3.387
   86   1HD   LYS  10          2HD       LYS  10  -2.969  17.621   2.692
   87   2HD   LYS  10          1HD       LYS  10  -1.371  16.946   2.369
   88   1HE   LYS  10          2HE       LYS  10  -1.711  16.888   0.061
   89   2HE   LYS  10          1HE       LYS  10  -3.477  16.805   0.224
   90   1HZ   LYS  10          1HZ       LYS  10  -3.496  19.045   1.081
   91   2HZ   LYS  10          2HZ       LYS  10  -2.717  19.034  -0.429
   92   3HZ   LYS  10          3HZ       LYS  10  -1.805  19.136   1.001
   93    H    ARG  11           H        ARG  11  -2.647  13.296   4.181
   94    HA   ARG  11           HA       ARG  11  -1.364  12.021   6.384
   95   1HB   ARG  11          2HB       ARG  11  -3.907  12.028   5.010
   96   2HB   ARG  11          1HB       ARG  11  -3.464  10.364   5.395
   97   1HG   ARG  11          2HG       ARG  11  -4.638  11.157   7.308
   98   2HG   ARG  11          1HG       ARG  11  -2.933  11.219   7.756
   99   1HD   ARG  11          2HD       ARG  11  -2.830  13.599   7.370
  100   2HD   ARG  11          1HD       ARG  11  -4.447  13.602   6.637
  101    HE   ARG  11           HE       ARG  11  -3.896  13.059   9.524
  102   1HH1  ARG  11          1HH2      ARG  11  -5.401  15.457   8.207
  103   2HH1  ARG  11          2HH2      ARG  11  -7.031  15.045   8.622
  104   1HH2  ARG  11          1HH1      ARG  11  -6.265  11.780   9.499
  105   2HH2  ARG  11          2HH1      ARG  11  -7.521  12.964   9.354
  106    HA   PRO  12           HA       PRO  12   0.929   8.977   4.052
  107   1HB   PRO  12          2HB       PRO  12   1.870   7.494   6.146
  108   2HB   PRO  12          1HB       PRO  12   2.551   9.071   5.700
  109   1HG   PRO  12          2HG       PRO  12   0.709   8.363   7.911
  110   2HG   PRO  12          1HG       PRO  12   1.991   9.580   7.848
  111   1HD   PRO  12          2HD       PRO  12  -0.709  10.113   7.610
  112   2HD   PRO  12          1HD       PRO  12   0.594  11.178   7.044
  113    HA   PRO  13           HA       PRO  13  -2.186   5.779   4.117
  114   1HB   PRO  13          2HB       PRO  13  -1.181   4.187   2.139
  115   2HB   PRO  13          1HB       PRO  13  -2.007   5.724   1.818
  116   1HG   PRO  13          2HG       PRO  13   0.876   5.082   1.742
  117   2HG   PRO  13          1HG       PRO  13  -0.048   6.258   0.799
  118   1HD   PRO  13          2HD       PRO  13   1.575   6.831   2.995
  119   2HD   PRO  13          1HD       PRO  13   0.358   7.913   2.289
  120    H    SER  14           H        SER  14  -1.847   3.088   3.808
  121    HA   SER  14           HA       SER  14   0.508   2.102   5.256
  122   1HB   SER  14          2HB       SER  14  -0.680   1.509   7.275
  123   2HB   SER  14          1HB       SER  14  -1.003   3.210   6.954
  124    HG   SER  14           HG       SER  14  -3.011   2.707   6.276
  125    H    ALA  15           H        ALA  15  -0.017   1.099   2.877
  126    HA   ALA  15           HA       ALA  15  -0.410  -0.886   1.720
  127   1HB   ALA  15          1HB       ALA  15  -0.117  -1.586   4.476
  128   2HB   ALA  15          2HB       ALA  15   0.162  -2.604   3.067
  129   3HB   ALA  15          3HB       ALA  15  -1.430  -2.562   3.820
  130    H    PHE  16           H        PHE  16  -2.927  -1.331   4.227
  131    HA   PHE  16           HA       PHE  16  -5.034  -2.074   2.571
  132   1HB   PHE  16          2HB       PHE  16  -4.790  -1.877   5.125
  133   2HB   PHE  16          1HB       PHE  16  -5.350  -0.219   4.928
  134    HD1  PHE  16           1HD      PHE  16  -6.335  -3.662   5.194
  135    HD2  PHE  16           2HD      PHE  16  -7.560   0.156   3.652
  136    HE1  PHE  16           1HE      PHE  16  -8.679  -4.463   5.072
  137    HE2  PHE  16           2HE      PHE  16  -9.904  -0.645   3.530
  138    HZ   PHE  16           HZ       PHE  16 -10.463  -2.954   4.240
  139    H    PHE  17           H        PHE  17  -4.266   1.278   3.579
  140    HA   PHE  17           HA       PHE  17  -6.375   2.572   2.169
  141   1HB   PHE  17          2HB       PHE  17  -4.696   3.437   3.935
  142   2HB   PHE  17          1HB       PHE  17  -3.594   3.691   2.582
  143    HD1  PHE  17           1HD      PHE  17  -6.794   4.714   4.112
  144    HD2  PHE  17           2HD      PHE  17  -4.016   5.402   0.909
  145    HE1  PHE  17           1HE      PHE  17  -7.944   6.844   3.572
  146    HE2  PHE  17           2HE      PHE  17  -5.165   7.532   0.370
  147    HZ   PHE  17           HZ       PHE  17  -7.130   8.253   1.701
  148    H    LEU  18           H        LEU  18  -3.171   1.481   1.122
  149    HA   LEU  18           HA       LEU  18  -3.217   2.779  -1.470
  150   1HB   LEU  18          2HB       LEU  18  -1.721   0.293  -0.561
  151   2HB   LEU  18          1HB       LEU  18  -1.267   1.368  -1.877
  152    HG   LEU  18           HG       LEU  18  -1.310   2.055   1.081
  153   1HD1  LEU  18          1HD1      LEU  18   0.662   0.863   0.704
  154   2HD1  LEU  18          2HD1      LEU  18   1.176   2.525   0.418
  155   3HD1  LEU  18          3HD1      LEU  18   0.827   1.463  -0.946
  156   1HD2  LEU  18          1HD2      LEU  18  -1.819   4.128   0.172
  157   2HD2  LEU  18          2HD2      LEU  18  -1.117   3.728  -1.396
  158   3HD2  LEU  18          3HD2      LEU  18  -0.068   4.151  -0.042
  159    H    PHE  19           H        PHE  19  -4.289  -0.332  -0.195
  160    HA   PHE  19           HA       PHE  19  -4.804  -1.584  -2.763
  161   1HB   PHE  19          2HB       PHE  19  -4.406  -2.616  -0.436
  162   2HB   PHE  19          1HB       PHE  19  -6.090  -2.217  -0.100
  163    HD1  PHE  19           1HD      PHE  19  -7.913  -3.195  -1.518
  164    HD2  PHE  19           2HD      PHE  19  -3.819  -4.446  -1.861
  165    HE1  PHE  19           1HE      PHE  19  -8.639  -5.239  -2.720
  166    HE2  PHE  19           2HE      PHE  19  -4.544  -6.490  -3.064
  167    HZ   PHE  19           HZ       PHE  19  -6.954  -6.887  -3.493
  168    H    CYS  20           H        CYS  20  -6.986  -0.190  -0.270
  169    HA   CYS  20           HA       CYS  20  -9.397  -0.470  -1.774
  170   1HB   CYS  20          2HB       CYS  20 -10.313   0.981  -0.075
  171   2HB   CYS  20          1HB       CYS  20  -9.060   0.020   0.702
  172    HG   CYS  20           HG       CYS  20  -8.450   2.365   1.454
  173    H    SER  21           H        SER  21  -6.914   2.006  -1.806
  174    HA   SER  21           HA       SER  21  -8.381   4.009  -3.277
  175   1HB   SER  21          2HB       SER  21  -6.172   5.042  -3.460
  176   2HB   SER  21          1HB       SER  21  -6.377   4.366  -1.847
  177    HG   SER  21           HG       SER  21  -4.361   3.899  -3.161
  178    H    GLU  22           H        GLU  22  -6.600   1.142  -4.331
  179    HA   GLU  22           HA       GLU  22  -6.798   2.135  -7.152
  180   1HB   GLU  22          2HB       GLU  22  -4.942   0.581  -7.580
  181   2HB   GLU  22          1HB       GLU  22  -4.546   1.676  -6.259
  182   1HG   GLU  22          2HG       GLU  22  -4.123  -0.110  -4.956
  183   2HG   GLU  22          1HG       GLU  22  -5.826  -0.550  -5.062
  184    H    TYR  23           H        TYR  23  -7.821  -0.497  -5.006
  185    HA   TYR  23           HA       TYR  23  -8.592  -2.273  -7.197
  186   1HB   TYR  23          2HB       TYR  23  -8.621  -2.188  -4.233
  187   2HB   TYR  23          1HB       TYR  23  -9.873  -3.184  -4.972
  188    HD1  TYR  23           1HD      TYR  23  -9.355  -5.279  -5.972
  189    HD2  TYR  23           2HD      TYR  23  -6.198  -2.586  -4.864
  190    HE1  TYR  23           1HE      TYR  23  -7.683  -7.055  -6.418
  191    HE2  TYR  23           2HE      TYR  23  -4.525  -4.362  -5.311
  192    HH   TYR  23           HH       TYR  23  -5.417  -7.640  -5.808
  193    H    ARG  24           H        ARG  24 -10.275   0.041  -5.074
  194    HA   ARG  24           HA       ARG  24 -12.947  -0.538  -5.538
  195   1HB   ARG  24          2HB       ARG  24 -11.448   2.069  -5.299
  196   2HB   ARG  24          1HB       ARG  24 -13.211   1.993  -5.347
  197   1HG   ARG  24          2HG       ARG  24 -13.261   0.555  -3.390
  198   2HG   ARG  24          1HG       ARG  24 -11.500   0.459  -3.374
  199   1HD   ARG  24          2HD       ARG  24 -11.769   2.170  -1.834
  200   2HD   ARG  24          1HD       ARG  24 -11.788   3.150  -3.313
  201    HE   ARG  24           HE       ARG  24 -14.363   2.652  -3.238
  202   1HH1  ARG  24          1HH2      ARG  24 -13.828   1.368  -0.457
  203   2HH1  ARG  24          2HH2      ARG  24 -14.375   2.646   0.575
  204   1HH2  ARG  24          1HH1      ARG  24 -14.398   5.029  -1.943
  205   2HH2  ARG  24          2HH1      ARG  24 -14.699   4.719  -0.266
  206    HA   PRO  25           HA       PRO  25 -12.977   2.156  -9.593
  207   1HB   PRO  25          2HB       PRO  25 -10.561   2.335 -10.899
  208   2HB   PRO  25          1HB       PRO  25 -11.175   3.577  -9.786
  209   1HG   PRO  25          2HG       PRO  25  -9.256   1.345  -9.248
  210   2HG   PRO  25          1HG       PRO  25  -9.147   3.055  -8.786
  211   1HD   PRO  25          2HD       PRO  25  -9.924   1.249  -7.018
  212   2HD   PRO  25          1HD       PRO  25 -10.732   2.829  -7.082
  213    H    LYS  26           H        LYS  26 -10.848  -0.594  -9.111
  214    HA   LYS  26           HA       LYS  26 -11.183  -1.804 -11.730
  215   1HB   LYS  26          2HB       LYS  26  -9.452  -2.246  -9.851
  216   2HB   LYS  26          1HB       LYS  26 -10.729  -3.199  -9.088
  217   1HG   LYS  26          2HG       LYS  26  -9.994  -3.679 -11.968
  218   2HG   LYS  26          1HG       LYS  26  -9.046  -4.413 -10.674
  219   1HD   LYS  26          2HD       LYS  26 -11.369  -5.160  -9.736
  220   2HD   LYS  26          1HD       LYS  26 -11.936  -4.857 -11.378
  221   1HE   LYS  26          2HE       LYS  26  -9.466  -6.529 -10.931
  222   2HE   LYS  26          1HE       LYS  26 -11.079  -7.258 -10.806
  223   1HZ   LYS  26          1HZ       LYS  26 -10.081  -5.651 -13.100
  224   2HZ   LYS  26          2HZ       LYS  26 -11.632  -6.335 -12.969
  225   3HZ   LYS  26          3HZ       LYS  26 -10.264  -7.337 -13.089
  226    H    ILE  27           H        ILE  27 -12.716  -2.225  -8.555
  227    HA   ILE  27           HA       ILE  27 -14.594  -4.258  -9.161
  228    HB   ILE  27           HB       ILE  27 -14.817  -1.840  -7.324
  229   1HG1  ILE  27          2HG1      ILE  27 -12.787  -3.136  -6.850
  230   2HG1  ILE  27          1HG1      ILE  27 -13.965  -3.375  -5.571
  231   1HG2  ILE  27          1HG2      ILE  27 -16.977  -2.924  -7.600
  232   2HG2  ILE  27          2HG2      ILE  27 -16.340  -3.300  -6.000
  233   3HG2  ILE  27          3HG2      ILE  27 -16.260  -4.504  -7.286
  234   1HD1  ILE  27          1HD1      ILE  27 -13.227  -5.268  -7.798
  235   2HD1  ILE  27          2HD1      ILE  27 -14.711  -5.458  -6.865
  236   3HD1  ILE  27          3HD1      ILE  27 -13.145  -5.543  -6.057
  237    H    LYS  28           H        LYS  28 -14.650  -0.798  -9.822
  238    HA   LYS  28           HA       LYS  28 -17.481  -0.635 -10.386
  239   1HB   LYS  28          2HB       LYS  28 -15.411   1.244 -11.524
  240   2HB   LYS  28          1HB       LYS  28 -17.030   1.609 -10.945
  241   1HG   LYS  28          2HG       LYS  28 -14.514   1.163  -9.388
  242   2HG   LYS  28          1HG       LYS  28 -15.628   2.504  -9.286
  243   1HD   LYS  28          2HD       LYS  28 -16.045  -0.304  -8.204
  244   2HD   LYS  28          1HD       LYS  28 -15.842   1.176  -7.277
  245   1HE   LYS  28          2HE       LYS  28 -18.119   0.877  -9.256
  246   2HE   LYS  28          1HE       LYS  28 -18.266   0.349  -7.569
  247   1HZ   LYS  28          1HZ       LYS  28 -18.932   2.644  -7.735
  248   2HZ   LYS  28          2HZ       LYS  28 -17.476   3.055  -8.508
  249   3HZ   LYS  28          3HZ       LYS  28 -17.468   2.555  -6.884
  250    H    SER  29           H        SER  29 -14.617  -1.216 -12.397
  251    HA   SER  29           HA       SER  29 -15.907  -0.961 -14.953
  252   1HB   SER  29          2HB       SER  29 -13.453  -0.956 -14.492
  253   2HB   SER  29          1HB       SER  29 -13.548  -2.671 -14.099
  254    HG   SER  29           HG       SER  29 -13.137  -2.793 -16.187
  255    H    GLU  30           H        GLU  30 -15.915  -3.510 -12.560
  256    HA   GLU  30           HA       GLU  30 -17.258  -5.349 -14.511
  257   1HB   GLU  30          2HB       GLU  30 -15.351  -5.657 -12.227
  258   2HB   GLU  30          1HB       GLU  30 -16.485  -6.968 -12.535
  259   1HG   GLU  30          2HG       GLU  30 -15.643  -6.498 -15.063
  260   2HG   GLU  30          1HG       GLU  30 -14.196  -6.025 -14.173
  261    H    HIS  31           H        HIS  31 -17.684  -3.517 -11.604
  262    HA   HIS  31           HA       HIS  31 -20.325  -4.870 -11.170
  263   1HB   HIS  31          2HB       HIS  31 -18.508  -3.733  -9.016
  264   2HB   HIS  31          1HB       HIS  31 -19.985  -4.655  -8.774
  265    HD1  HIS  31           1HD      HIS  31 -16.370  -5.032  -9.620
  266    HD2  HIS  31           2HD      HIS  31 -19.727  -7.476  -9.264
  267    HE1  HIS  31           1HE      HIS  31 -15.518  -7.414  -9.599
  268    HA   PRO  32           HA       PRO  32 -21.029  -0.412 -11.864
  269   1HB   PRO  32          2HB       PRO  32 -23.492  -0.703 -13.020
  270   2HB   PRO  32          1HB       PRO  32 -21.974  -0.847 -13.920
  271   1HG   PRO  32          2HG       PRO  32 -23.796  -2.967 -12.947
  272   2HG   PRO  32          1HG       PRO  32 -22.799  -2.913 -14.408
  273   1HD   PRO  32          2HD       PRO  32 -22.169  -4.322 -12.125
  274   2HD   PRO  32          1HD       PRO  32 -21.001  -3.812 -13.359
  275    H    GLY  33           H        GLY  33 -23.274  -2.844 -10.596
  276   1HA   GLY  33          2HA       GLY  33 -24.898  -0.922  -9.140
  277   2HA   GLY  33          1HA       GLY  33 -24.952  -2.674  -8.961
  278    H    LEU  34           H        LEU  34 -21.883  -2.518  -8.544
  279    HA   LEU  34           HA       LEU  34 -21.778  -2.770  -5.740
  280   1HB   LEU  34          2HB       LEU  34 -20.009  -2.692  -8.009
  281   2HB   LEU  34          1HB       LEU  34 -19.283  -1.763  -6.708
  282    HG   LEU  34           HG       LEU  34 -18.665  -4.200  -6.692
  283   1HD1  LEU  34          1HD1      LEU  34 -19.314  -4.499  -4.219
  284   2HD1  LEU  34          2HD1      LEU  34 -20.117  -2.937  -4.373
  285   3HD1  LEU  34          3HD1      LEU  34 -18.380  -3.066  -4.645
  286   1HD2  LEU  34          1HD2      LEU  34 -21.293  -4.917  -5.505
  287   2HD2  LEU  34          2HD2      LEU  34 -20.212  -5.880  -6.513
  288   3HD2  LEU  34          3HD2      LEU  34 -21.280  -4.689  -7.254
  289    H    SER  35           H        SER  35 -23.010  -0.933  -4.872
  290    HA   SER  35           HA       SER  35 -22.015   1.806  -5.218
  291   1HB   SER  35          2HB       SER  35 -24.391   1.284  -4.864
  292   2HB   SER  35          1HB       SER  35 -24.012   0.515  -3.324
  293    HG   SER  35           HG       SER  35 -24.314   3.152  -3.948
  294    H    ILE  36           H        ILE  36 -21.482   3.073  -3.104
  295    HA   ILE  36           HA       ILE  36 -19.115   2.120  -1.900
  296    HB   ILE  36           HB       ILE  36 -21.216   4.057  -0.865
  297   1HG1  ILE  36          2HG1      ILE  36 -20.311   4.654  -3.084
  298   2HG1  ILE  36          1HG1      ILE  36 -19.728   5.774  -1.858
  299   1HG2  ILE  36          1HG2      ILE  36 -19.204   5.037   0.364
  300   2HG2  ILE  36          2HG2      ILE  36 -18.355   3.539  -0.016
  301   3HG2  ILE  36          3HG2      ILE  36 -19.804   3.500   0.988
  302   1HD1  ILE  36          1HD1      ILE  36 -17.641   4.340  -1.686
  303   2HD1  ILE  36          2HD1      ILE  36 -17.835   5.189  -3.219
  304   3HD1  ILE  36          3HD1      ILE  36 -18.213   3.470  -3.110
  305    H    GLY  37           H        GLY  37 -22.457   1.452  -1.057
  306   1HA   GLY  37          2HA       GLY  37 -22.092   0.551   1.624
  307   2HA   GLY  37          1HA       GLY  37 -23.387   0.017   0.549
  308    H    ASP  38           H        ASP  38 -22.671  -1.614  -1.161
  309    HA   ASP  38           HA       ASP  38 -21.420  -3.883   0.122
  310   1HB   ASP  38          2HB       ASP  38 -23.211  -3.758  -1.728
  311   2HB   ASP  38          1HB       ASP  38 -21.872  -3.477  -2.841
  312    H    THR  39           H        THR  39 -20.234  -1.331  -1.985
  313    HA   THR  39           HA       THR  39 -17.778  -2.628  -2.805
  314    HB   THR  39           HB       THR  39 -18.575   0.294  -2.558
  315    HG1  THR  39           1HG      THR  39 -19.176   0.068  -4.662
  316   1HG2  THR  39          1HG2      THR  39 -16.261  -1.052  -3.979
  317   2HG2  THR  39          2HG2      THR  39 -16.166   0.159  -2.699
  318   3HG2  THR  39          3HG2      THR  39 -16.769   0.607  -4.296
  319    H    ALA  40           H        ALA  40 -18.743  -0.708  -0.009
  320    HA   ALA  40           HA       ALA  40 -16.082  -0.254   1.035
  321   1HB   ALA  40          1HB       ALA  40 -17.976   1.109   1.702
  322   2HB   ALA  40          2HB       ALA  40 -17.423   0.232   3.130
  323   3HB   ALA  40          3HB       ALA  40 -18.858  -0.313   2.262
  324    H    LYS  41           H        LYS  41 -18.560  -2.754   1.552
  325    HA   LYS  41           HA       LYS  41 -16.817  -4.194   3.446
  326   1HB   LYS  41          2HB       LYS  41 -18.793  -5.577   3.787
  327   2HB   LYS  41          1HB       LYS  41 -19.263  -3.882   3.807
  328   1HG   LYS  41          2HG       LYS  41 -19.765  -4.200   1.286
  329   2HG   LYS  41          1HG       LYS  41 -19.690  -5.924   1.628
  330   1HD   LYS  41          2HD       LYS  41 -22.000  -5.228   1.825
  331   2HD   LYS  41          1HD       LYS  41 -21.391  -5.571   3.444
  332   1HE   LYS  41          2HE       LYS  41 -20.777  -2.862   3.066
  333   2HE   LYS  41          1HE       LYS  41 -22.394  -3.052   2.360
  334   1HZ   LYS  41          1HZ       LYS  41 -22.532  -2.689   4.751
  335   2HZ   LYS  41          2HZ       LYS  41 -21.545  -4.042   5.031
  336   3HZ   LYS  41          3HZ       LYS  41 -23.088  -4.240   4.347
  337    H    LYS  42           H        LYS  42 -17.443  -4.261   0.017
  338    HA   LYS  42           HA       LYS  42 -16.800  -7.109  -0.312
  339   1HB   LYS  42          2HB       LYS  42 -18.366  -5.815  -1.766
  340   2HB   LYS  42          1HB       LYS  42 -17.019  -4.807  -2.285
  341   1HG   LYS  42          2HG       LYS  42 -17.491  -6.579  -3.933
  342   2HG   LYS  42          1HG       LYS  42 -15.893  -6.794  -3.226
  343   1HD   LYS  42          2HD       LYS  42 -16.512  -8.688  -2.060
  344   2HD   LYS  42          1HD       LYS  42 -18.184  -8.156  -1.881
  345   1HE   LYS  42          2HE       LYS  42 -18.724  -8.768  -4.133
  346   2HE   LYS  42          1HE       LYS  42 -17.013  -8.983  -4.554
  347   1HZ   LYS  42          1HZ       LYS  42 -18.015 -11.116  -4.050
  348   2HZ   LYS  42          2HZ       LYS  42 -18.527 -10.550  -2.532
  349   3HZ   LYS  42          3HZ       LYS  42 -16.869 -10.723  -2.864
  350    H    LEU  43           H        LEU  43 -14.916  -4.485   0.512
  351    HA   LEU  43           HA       LEU  43 -12.596  -5.232  -1.199
  352   1HB   LEU  43          2HB       LEU  43 -13.320  -2.968   0.666
  353   2HB   LEU  43          1HB       LEU  43 -11.662  -3.186   0.107
  354    HG   LEU  43           HG       LEU  43 -13.956  -3.125  -1.846
  355   1HD1  LEU  43          1HD1      LEU  43 -13.863  -0.780  -2.014
  356   2HD1  LEU  43          2HD1      LEU  43 -12.329  -0.686  -1.148
  357   3HD1  LEU  43          3HD1      LEU  43 -13.816  -1.054  -0.273
  358   1HD2  LEU  43          1HD2      LEU  43 -12.055  -2.219  -3.286
  359   2HD2  LEU  43          2HD2      LEU  43 -11.881  -3.897  -2.771
  360   3HD2  LEU  43          3HD2      LEU  43 -10.970  -2.625  -1.956
  361    H    GLY  44           H        GLY  44 -13.738  -5.183   2.148
  362   1HA   GLY  44          2HA       GLY  44 -11.258  -6.059   3.347
  363   2HA   GLY  44          1HA       GLY  44 -12.851  -6.139   4.107
  364    H    GLU  45           H        GLU  45 -14.028  -7.676   1.897
  365    HA   GLU  45           HA       GLU  45 -13.685 -10.332   2.811
  366   1HB   GLU  45          2HB       GLU  45 -14.731  -8.976   0.354
  367   2HB   GLU  45          1HB       GLU  45 -14.549 -10.729   0.318
  368   1HG   GLU  45          2HG       GLU  45 -15.868 -10.849   2.451
  369   2HG   GLU  45          1HG       GLU  45 -16.157  -9.114   2.315
  370    H    MET  46           H        MET  46 -12.194  -8.738  -0.024
  371    HA   MET  46           HA       MET  46 -10.552 -11.017  -0.762
  372   1HB   MET  46          2HB       MET  46 -10.367  -8.041  -1.355
  373   2HB   MET  46          1HB       MET  46  -9.454  -9.289  -2.202
  374   1HG   MET  46          2HG       MET  46 -11.413 -10.241  -3.144
  375   2HG   MET  46          1HG       MET  46 -12.467  -9.376  -2.026
  376   1HE   MET  46          1HE       MET  46 -10.951  -8.153  -6.058
  377   2HE   MET  46          2HE       MET  46 -11.829  -9.587  -5.532
  378   3HE   MET  46          3HE       MET  46 -10.166  -9.339  -5.006
  379    H    TRP  47           H        TRP  47  -9.886  -7.927   0.902
  380    HA   TRP  47           HA       TRP  47  -7.149  -8.253   1.487
  381   1HB   TRP  47          2HB       TRP  47  -8.649  -6.262   1.886
  382   2HB   TRP  47          1HB       TRP  47  -9.281  -7.093   3.308
  383    HD1  TRP  47           HD       TRP  47  -7.962  -6.852   5.483
  384    HE1  TRP  47           1HE      TRP  47  -5.667  -5.872   6.130
  385    HE3  TRP  47           3HE      TRP  47  -6.063  -5.909   0.836
  386    HZ2  TRP  47           2HZ      TRP  47  -3.335  -4.825   4.846
  387    HZ3  TRP  47           3HZ      TRP  47  -3.806  -4.921   0.577
  388    HH2  TRP  47           HH       TRP  47  -2.440  -4.379   2.574
  389    H    SER  48           H        SER  48  -9.847  -9.076   3.725
  390    HA   SER  48           HA       SER  48  -8.251 -10.437   5.656
  391   1HB   SER  48          2HB       SER  48 -10.561  -9.630   5.992
  392   2HB   SER  48          1HB       SER  48 -11.151 -10.822   4.838
  393    HG   SER  48           HG       SER  48 -11.045 -12.277   6.348
  394    H    GLU  49           H        GLU  49  -9.797 -11.579   2.678
  395    HA   GLU  49           HA       GLU  49  -9.557 -14.388   3.040
  396   1HB   GLU  49          2HB       GLU  49  -9.830 -12.437   0.830
  397   2HB   GLU  49          1HB       GLU  49  -9.156 -13.996   0.356
  398   1HG   GLU  49          2HG       GLU  49 -11.062 -15.176   1.222
  399   2HG   GLU  49          1HG       GLU  49 -11.680 -13.722   2.007
  400    H    GLN  50           H        GLN  50  -7.192 -12.011   1.845
  401    HA   GLN  50           HA       GLN  50  -5.148 -13.908   1.103
  402   1HB   GLN  50          2HB       GLN  50  -5.236 -10.972   1.817
  403   2HB   GLN  50          1HB       GLN  50  -3.721 -11.767   1.387
  404   1HG   GLN  50          2HG       GLN  50  -6.146 -12.040  -0.379
  405   2HG   GLN  50          1HG       GLN  50  -5.096 -10.630  -0.509
  406   1HE2  GLN  50          1HE2      GLN  50  -5.566 -13.480  -2.017
  407   2HE2  GLN  50          2HE2      GLN  50  -3.973 -13.877  -2.444
  408    H    SER  51           H        SER  51  -3.034 -14.100   2.293
  409    HA   SER  51           HA       SER  51  -3.156 -13.673   5.230
  410   1HB   SER  51          2HB       SER  51  -2.797 -16.375   3.894
  411   2HB   SER  51          1HB       SER  51  -2.723 -16.073   5.627
  412    HG   SER  51           HG       SER  51  -4.903 -16.116   3.889
  413    H    ALA  52           H        ALA  52  -1.257 -12.495   5.372
  414    HA   ALA  52           HA       ALA  52   1.041 -11.970   5.217
  415   1HB   ALA  52          1HB       ALA  52   2.431 -13.810   5.755
  416   2HB   ALA  52          2HB       ALA  52   1.422 -14.944   4.856
  417   3HB   ALA  52          3HB       ALA  52   0.853 -14.281   6.388
  418    H    LYS  53           H        LYS  53  -0.276 -11.668   2.768
  419    HA   LYS  53           HA       LYS  53   1.917 -12.291   0.863
  420   1HB   LYS  53          2HB       LYS  53  -0.944 -13.247   0.746
  421   2HB   LYS  53          1HB       LYS  53   0.004 -13.061  -0.729
  422   1HG   LYS  53          2HG       LYS  53   1.741 -14.555   0.207
  423   2HG   LYS  53          1HG       LYS  53   0.767 -14.763   1.663
  424   1HD   LYS  53          2HD       LYS  53   0.200 -16.643   0.362
  425   2HD   LYS  53          1HD       LYS  53  -1.113 -15.511   0.035
  426   1HE   LYS  53          2HE       LYS  53  -0.193 -14.897  -2.087
  427   2HE   LYS  53          1HE       LYS  53   1.356 -15.681  -1.718
  428   1HZ   LYS  53          1HZ       LYS  53  -0.043 -17.118  -3.085
  429   2HZ   LYS  53          2HZ       LYS  53  -1.273 -17.058  -1.913
  430   3HZ   LYS  53          3HZ       LYS  53   0.212 -17.801  -1.553
  431    H    ASP  54           H        ASP  54  -1.464 -11.113   0.709
  432    HA   ASP  54           HA       ASP  54  -1.002  -9.075  -1.219
  433   1HB   ASP  54          2HB       ASP  54  -3.168 -10.147  -0.286
  434   2HB   ASP  54          1HB       ASP  54  -3.057  -8.934   0.990
  435    H    LYS  55           H        LYS  55  -0.635  -9.041   2.311
  436    HA   LYS  55           HA       LYS  55  -0.113  -6.118   2.296
  437   1HB   LYS  55          2HB       LYS  55  -1.555  -7.421   3.973
  438   2HB   LYS  55          1HB       LYS  55  -0.041  -8.037   4.629
  439   1HG   LYS  55          2HG       LYS  55   0.605  -5.452   4.603
  440   2HG   LYS  55          1HG       LYS  55  -1.146  -5.260   4.686
  441   1HD   LYS  55          2HD       LYS  55  -1.243  -6.656   6.689
  442   2HD   LYS  55          1HD       LYS  55   0.491  -6.966   6.584
  443   1HE   LYS  55          2HE       LYS  55  -0.363  -4.103   6.628
  444   2HE   LYS  55          1HE       LYS  55  -0.477  -5.013   8.148
  445   1HZ   LYS  55          1HZ       LYS  55   1.740  -4.084   7.880
  446   2HZ   LYS  55          2HZ       LYS  55   1.912  -4.867   6.382
  447   3HZ   LYS  55          3HZ       LYS  55   1.799  -5.777   7.812
  448    H    GLN  56           H        GLN  56   1.805  -8.317   1.192
  449    HA   GLN  56           HA       GLN  56   4.124  -7.869   3.006
  450   1HB   GLN  56          2HB       GLN  56   3.236  -9.899   1.081
  451   2HB   GLN  56          1HB       GLN  56   4.942  -9.492   0.912
  452   1HG   GLN  56          2HG       GLN  56   3.694 -10.107   3.597
  453   2HG   GLN  56          1HG       GLN  56   4.382 -11.365   2.569
  454   1HE2  GLN  56          1HE2      GLN  56   6.433 -11.851   3.370
  455   2HE2  GLN  56          2HE2      GLN  56   7.585 -10.702   3.855
  456    HA   PRO  57           HA       PRO  57   5.805  -6.003  -0.986
  457   1HB   PRO  57          2HB       PRO  57   4.376  -6.030  -3.296
  458   2HB   PRO  57          1HB       PRO  57   5.397  -7.387  -2.787
  459   1HG   PRO  57          2HG       PRO  57   2.475  -7.111  -2.744
  460   2HG   PRO  57          1HG       PRO  57   3.464  -8.565  -2.899
  461   1HD   PRO  57          2HD       PRO  57   2.143  -7.660  -0.592
  462   2HD   PRO  57          1HD       PRO  57   3.357  -8.953  -0.683
  463    H    TYR  58           H        TYR  58   2.273  -5.586  -0.885
  464    HA   TYR  58           HA       TYR  58   2.364  -2.786  -1.723
  465   1HB   TYR  58          2HB       TYR  58   0.370  -4.842  -0.914
  466   2HB   TYR  58          1HB       TYR  58  -0.117  -3.156  -0.738
  467    HD1  TYR  58           1HD      TYR  58  -0.167  -1.647  -2.705
  468    HD2  TYR  58           2HD      TYR  58   0.713  -5.834  -3.087
  469    HE1  TYR  58           1HE      TYR  58  -0.579  -1.511  -5.148
  470    HE2  TYR  58           2HE      TYR  58   0.301  -5.698  -5.529
  471    HH   TYR  58           HH       TYR  58  -1.245  -3.929  -7.035
  472    H    GLU  59           H        GLU  59   3.375  -4.108   1.140
  473    HA   GLU  59           HA       GLU  59   2.112  -2.064   2.888
  474   1HB   GLU  59          2HB       GLU  59   2.977  -3.466   4.675
  475   2HB   GLU  59          1HB       GLU  59   2.241  -4.506   3.466
  476   1HG   GLU  59          2HG       GLU  59   4.211  -5.656   3.565
  477   2HG   GLU  59          1HG       GLU  59   4.817  -4.360   2.538
  478    H    GLN  60           H        GLN  60   5.100  -2.719   1.217
  479    HA   GLN  60           HA       GLN  60   6.803  -1.064   2.911
  480   1HB   GLN  60          2HB       GLN  60   8.431  -1.494   1.110
  481   2HB   GLN  60          1HB       GLN  60   7.590  -2.980   1.541
  482   1HG   GLN  60          2HG       GLN  60   5.947  -2.027  -0.418
  483   2HG   GLN  60          1HG       GLN  60   7.504  -1.420  -0.977
  484   1HE2  GLN  60          1HE2      GLN  60   7.906  -2.920  -2.675
  485   2HE2  GLN  60          2HE2      GLN  60   8.058  -4.592  -2.426
  486    H    LYS  61           H        LYS  61   4.673  -0.519   0.185
  487    HA   LYS  61           HA       LYS  61   5.742   1.891  -0.887
  488   1HB   LYS  61          2HB       LYS  61   3.916   0.517  -1.855
  489   2HB   LYS  61          1HB       LYS  61   2.857   1.005  -0.532
  490   1HG   LYS  61          2HG       LYS  61   2.765   3.241  -1.269
  491   2HG   LYS  61          1HG       LYS  61   4.207   3.066  -2.270
  492   1HD   LYS  61          2HD       LYS  61   2.858   1.348  -3.624
  493   2HD   LYS  61          1HD       LYS  61   1.439   1.970  -2.783
  494   1HE   LYS  61          2HE       LYS  61   1.489   3.320  -4.709
  495   2HE   LYS  61          1HE       LYS  61   2.388   4.321  -3.552
  496   1HZ   LYS  61          1HZ       LYS  61   3.620   4.025  -5.634
  497   2HZ   LYS  61          2HZ       LYS  61   3.601   2.341  -5.410
  498   3HZ   LYS  61          3HZ       LYS  61   4.443   3.336  -4.321
  499    H    ALA  62           H        ALA  62   3.406   1.402   1.781
  500    HA   ALA  62           HA       ALA  62   3.124   4.226   2.379
  501   1HB   ALA  62          1HB       ALA  62   1.367   2.785   3.034
  502   2HB   ALA  62          2HB       ALA  62   2.186   3.149   4.554
  503   3HB   ALA  62          3HB       ALA  62   2.478   1.611   3.740
  504    H    ALA  63           H        ALA  63   5.679   2.015   2.953
  505    HA   ALA  63           HA       ALA  63   6.595   3.248   5.469
  506   1HB   ALA  63          1HB       ALA  63   6.800   0.803   4.781
  507   2HB   ALA  63          2HB       ALA  63   8.298   1.553   5.335
  508   3HB   ALA  63          3HB       ALA  63   8.012   1.321   3.610
  509    H    LYS  64           H        LYS  64   6.602   4.311   2.324
  510    HA   LYS  64           HA       LYS  64   9.350   5.473   2.428
  511   1HB   LYS  64          2HB       LYS  64   7.258   4.993   0.295
  512   2HB   LYS  64          1HB       LYS  64   8.667   6.005  -0.002
  513   1HG   LYS  64          2HG       LYS  64   8.913   3.195   1.077
  514   2HG   LYS  64          1HG       LYS  64   8.875   3.528  -0.654
  515   1HD   LYS  64          2HD       LYS  64  10.853   4.899  -0.513
  516   2HD   LYS  64          1HD       LYS  64  10.827   4.847   1.250
  517   1HE   LYS  64          2HE       LYS  64  12.466   3.227   0.624
  518   2HE   LYS  64          1HE       LYS  64  11.014   2.268   0.976
  519   1HZ   LYS  64          1HZ       LYS  64  11.934   1.659  -1.176
  520   2HZ   LYS  64          2HZ       LYS  64  11.825   3.271  -1.703
  521   3HZ   LYS  64          3HZ       LYS  64  10.414   2.387  -1.367
  522    H    LEU  65           H        LEU  65   5.919   6.222   2.274
  523    HA   LEU  65           HA       LEU  65   6.285   9.116   2.012
  524   1HB   LEU  65          2HB       LEU  65   4.025   7.170   2.409
  525   2HB   LEU  65          1HB       LEU  65   3.731   8.899   2.585
  526    HG   LEU  65           HG       LEU  65   5.049   9.011   0.282
  527   1HD1  LEU  65          1HD1      LEU  65   4.048   6.173   0.498
  528   2HD1  LEU  65          2HD1      LEU  65   5.629   6.741  -0.037
  529   3HD1  LEU  65          3HD1      LEU  65   4.217   6.962  -1.070
  530   1HD2  LEU  65          1HD2      LEU  65   2.613   9.604   0.851
  531   2HD2  LEU  65          2HD2      LEU  65   2.204   7.987   0.280
  532   3HD2  LEU  65          3HD2      LEU  65   2.941   9.150  -0.821
  533    H    LYS  66           H        LYS  66   6.921   7.125   4.593
  534    HA   LYS  66           HA       LYS  66   5.704   8.871   6.667
  535   1HB   LYS  66          2HB       LYS  66   5.675   6.306   6.650
  536   2HB   LYS  66          1HB       LYS  66   7.404   6.385   6.990
  537   1HG   LYS  66          2HG       LYS  66   7.024   7.569   9.052
  538   2HG   LYS  66          1HG       LYS  66   5.314   7.780   8.678
  539   1HD   LYS  66          2HD       LYS  66   4.999   5.327   8.751
  540   2HD   LYS  66          1HD       LYS  66   6.704   5.128   9.157
  541   1HE   LYS  66          2HE       LYS  66   6.377   6.439  11.227
  542   2HE   LYS  66          1HE       LYS  66   4.660   6.642  10.824
  543   1HZ   LYS  66          1HZ       LYS  66   4.966   4.726  12.263
  544   2HZ   LYS  66          2HZ       LYS  66   6.075   4.050  11.168
  545   3HZ   LYS  66          3HZ       LYS  66   4.444   4.228  10.727
  546    H    GLU  67           H        GLU  67   8.784   8.079   5.165
  547    HA   GLU  67           HA       GLU  67  10.392   9.430   7.225
  548   1HB   GLU  67          2HB       GLU  67  10.787   7.923   4.672
  549   2HB   GLU  67          1HB       GLU  67  12.090   8.989   5.204
  550   1HG   GLU  67          2HG       GLU  67  12.261   7.845   7.321
  551   2HG   GLU  67          1HG       GLU  67  10.809   6.902   6.986
  552    H    LYS  68           H        LYS  68   8.638  10.372   4.402
  553    HA   LYS  68           HA       LYS  68  10.279  12.843   4.048
  554   1HB   LYS  68          2HB       LYS  68   8.366  11.209   2.416
  555   2HB   LYS  68          1HB       LYS  68   8.528  12.924   2.040
  556   1HG   LYS  68          2HG       LYS  68  10.979  11.213   2.376
  557   2HG   LYS  68          1HG       LYS  68  10.109  11.226   0.842
  558   1HD   LYS  68          2HD       LYS  68  10.240  13.823   1.069
  559   2HD   LYS  68          1HD       LYS  68  11.537  13.489   2.218
  560   1HE   LYS  68          2HE       LYS  68  12.918  12.532   0.580
  561   2HE   LYS  68          1HE       LYS  68  11.552  12.167  -0.494
  562   1HZ   LYS  68          1HZ       LYS  68  12.810  14.148  -1.209
  563   2HZ   LYS  68          2HZ       LYS  68  12.424  14.906   0.262
  564   3HZ   LYS  68          3HZ       LYS  68  11.194  14.504  -0.839
  565    H    TYR  69           H        TYR  69   7.117  11.640   5.009
  566    HA   TYR  69           HA       TYR  69   5.780  14.229   5.048
  567   1HB   TYR  69          2HB       TYR  69   4.520  12.188   4.761
  568   2HB   TYR  69          1HB       TYR  69   5.238  11.471   6.199
  569    HD1  TYR  69           1HD      TYR  69   3.522  11.139   7.748
  570    HD2  TYR  69           2HD      TYR  69   3.732  14.870   5.628
  571    HE1  TYR  69           1HE      TYR  69   1.666  12.029   9.130
  572    HE2  TYR  69           2HE      TYR  69   1.873  15.756   7.010
  573    HH   TYR  69           HH       TYR  69  -0.202  14.060   8.606
  574    H    GLU  70           H        GLU  70   6.982  12.043   7.627
  575    HA   GLU  70           HA       GLU  70   6.525  13.843   9.804
  576   1HB   GLU  70          2HB       GLU  70   8.362  11.487   9.335
  577   2HB   GLU  70          1HB       GLU  70   8.236  12.284  10.904
  578   1HG   GLU  70          2HG       GLU  70   5.790  11.307   9.429
  579   2HG   GLU  70          1HG       GLU  70   6.706  10.248  10.502
  580    H    LYS  71           H        LYS  71   8.944  13.957   7.333
  581    HA   LYS  71           HA       LYS  71  10.732  15.628   9.052
  582   1HB   LYS  71          2HB       LYS  71  11.048  13.979   6.549
  583   2HB   LYS  71          1HB       LYS  71  12.250  15.197   6.975
  584   1HG   LYS  71          2HG       LYS  71  11.360  13.212   9.045
  585   2HG   LYS  71          1HG       LYS  71  12.548  12.731   7.834
  586   1HD   LYS  71          2HD       LYS  71  13.684  15.028   8.518
  587   2HD   LYS  71          1HD       LYS  71  12.782  14.772  10.013
  588   1HE   LYS  71          2HE       LYS  71  14.390  12.500   8.867
  589   2HE   LYS  71          1HE       LYS  71  15.202  13.764   9.810
  590   1HZ   LYS  71          1HZ       LYS  71  12.814  12.217  10.669
  591   2HZ   LYS  71          2HZ       LYS  71  13.550  13.463  11.559
  592   3HZ   LYS  71          3HZ       LYS  71  14.389  12.015  11.266
  593    H    ASP  72           H        ASP  72   8.831  15.638   6.056
  594    HA   ASP  72           HA       ASP  72   9.755  18.346   5.324
  595   1HB   ASP  72          2HB       ASP  72   9.292  16.387   3.758
  596   2HB   ASP  72          1HB       ASP  72   7.579  16.647   4.087
  597    H    ILE  73           H        ILE  73   6.796  16.797   6.583
  598    HA   ILE  73           HA       ILE  73   5.102  19.099   6.343
  599    HB   ILE  73           HB       ILE  73   4.599  16.579   6.746
  600   1HG1  ILE  73          2HG1      ILE  73   2.507  17.317   8.145
  601   2HG1  ILE  73          1HG1      ILE  73   3.163  18.940   7.916
  602   1HG2  ILE  73          1HG2      ILE  73   4.550  17.424   9.645
  603   2HG2  ILE  73          2HG2      ILE  73   5.949  16.606   8.949
  604   3HG2  ILE  73          3HG2      ILE  73   4.379  15.802   8.972
  605   1HD1  ILE  73          1HD1      ILE  73   2.669  16.988   5.650
  606   2HD1  ILE  73          2HD1      ILE  73   3.117  18.688   5.508
  607   3HD1  ILE  73          3HD1      ILE  73   1.527  18.243   6.129
  608    H    ALA  74           H        ALA  74   7.655  18.376   8.580
  609    HA   ALA  74           HA       ALA  74   6.750  19.946  10.831
  610   1HB   ALA  74          1HB       ALA  74   9.513  19.161   9.839
  611   2HB   ALA  74          2HB       ALA  74   8.509  18.234  10.955
  612   3HB   ALA  74          3HB       ALA  74   9.166  19.794  11.449
  613    H    ALA  75           H        ALA  75   8.900  20.663   8.068
  614    HA   ALA  75           HA       ALA  75   9.116  23.503   8.836
  615   1HB   ALA  75          1HB       ALA  75  10.079  21.970   6.399
  616   2HB   ALA  75          2HB       ALA  75  10.989  22.134   7.901
  617   3HB   ALA  75          3HB       ALA  75  10.643  23.557   6.919
  618    H    TYR  76           H        TYR  76   7.278  21.493   6.620
  619    HA   TYR  76           HA       TYR  76   6.439  23.467   4.730
  620   1HB   TYR  76          2HB       TYR  76   6.193  20.961   4.608
  621   2HB   TYR  76          1HB       TYR  76   4.900  21.079   5.803
  622    HD1  TYR  76           1HD      TYR  76   2.709  21.286   5.036
  623    HD2  TYR  76           2HD      TYR  76   5.938  22.636   2.546
  624    HE1  TYR  76           1HE      TYR  76   1.092  21.830   3.236
  625    HE2  TYR  76           2HE      TYR  76   4.321  23.179   0.745
  626    HH   TYR  76           HH       TYR  76   1.267  23.666   1.104
  627    H    ARG  77           H        ARG  77   4.836  22.315   7.723
  628    HA   ARG  77           HA       ARG  77   3.040  24.705   7.622
  629   1HB   ARG  77          2HB       ARG  77   2.938  21.959   8.866
  630   2HB   ARG  77          1HB       ARG  77   1.845  23.235   9.406
  631   1HG   ARG  77          2HG       ARG  77   0.836  23.431   7.271
  632   2HG   ARG  77          1HG       ARG  77   2.141  22.545   6.481
  633   1HD   ARG  77          2HD       ARG  77   1.445  20.463   7.461
  634   2HD   ARG  77          1HD       ARG  77   0.315  21.287   8.555
  635    HE   ARG  77           HE       ARG  77  -0.076  20.897   5.646
  636   1HH1  ARG  77          1HH2      ARG  77  -2.008  20.376   8.014
  637   2HH1  ARG  77          2HH2      ARG  77  -3.166  21.637   7.747
  638   1HH2  ARG  77          1HH1      ARG  77  -1.143  23.396   5.548
  639   2HH2  ARG  77          2HH1      ARG  77  -2.676  23.346   6.351
  640    H    ALA  78           H        ALA  78   5.977  24.112   8.902
  641    HA   ALA  78           HA       ALA  78   7.163  24.929  10.766
  642   1HB   ALA  78          1HB       ALA  78   4.788  26.704  11.302
  643   2HB   ALA  78          2HB       ALA  78   5.742  26.933   9.837
  644   3HB   ALA  78          3HB       ALA  78   6.505  27.089  11.419
  645    H    LYS  79           H        LYS  79   6.462  22.669  11.618
  646    HA   LYS  79           HA       LYS  79   4.558  22.871  13.913
  647   1HB   LYS  79          2HB       LYS  79   4.812  21.060  11.891
  648   2HB   LYS  79          1HB       LYS  79   5.797  20.292  13.135
  649   1HG   LYS  79          2HG       LYS  79   3.748  19.455  13.762
  650   2HG   LYS  79          1HG       LYS  79   3.697  20.974  14.657
  651   1HD   LYS  79          2HD       LYS  79   2.749  21.824  12.269
  652   2HD   LYS  79          1HD       LYS  79   2.188  20.152  12.233
  653   1HE   LYS  79          2HE       LYS  79   1.232  20.531  14.563
  654   2HE   LYS  79          1HE       LYS  79   1.575  22.257  14.329
  655   1HZ   LYS  79          1HZ       LYS  79  -0.675  21.615  13.572
  656   2HZ   LYS  79          2HZ       LYS  79   0.029  20.576  12.427
  657   3HZ   LYS  79          3HZ       LYS  79   0.282  22.252  12.325
  Start of MODEL   18
    1   1H    MET   1          1HT       MET   1 -13.234  23.779  -3.265
    2   2H    MET   1          2HT       MET   1 -13.867  22.575  -4.282
    3   3H    MET   1          3HT       MET   1 -12.518  23.484  -4.772
    4    HA   MET   1           HA       MET   1 -12.580  21.560  -2.500
    5   1HB   MET   1          2HB       MET   1 -12.720  20.841  -5.001
    6   2HB   MET   1          1HB       MET   1 -11.046  21.391  -5.092
    7   1HG   MET   1          2HG       MET   1 -10.494  19.890  -3.170
    8   2HG   MET   1          1HG       MET   1 -12.147  19.277  -3.218
    9   1HE   MET   1          1HE       MET   1  -8.925  19.910  -4.880
   10   2HE   MET   1          2HE       MET   1  -8.660  18.595  -6.021
   11   3HE   MET   1          3HE       MET   1  -8.643  18.266  -4.291
   12    H    LYS   2           H        LYS   2 -10.970  21.970  -1.044
   13    HA   LYS   2           HA       LYS   2  -8.761  23.833  -1.848
   14   1HB   LYS   2          2HB       LYS   2 -10.375  23.346   0.631
   15   2HB   LYS   2          1HB       LYS   2  -8.732  23.964   0.807
   16   1HG   LYS   2          2HG       LYS   2  -9.874  25.964   0.594
   17   2HG   LYS   2          1HG       LYS   2  -9.537  25.633  -1.106
   18   1HD   LYS   2          2HD       LYS   2 -11.853  26.148  -1.048
   19   2HD   LYS   2          1HD       LYS   2 -11.793  24.387  -1.128
   20   1HE   LYS   2          2HE       LYS   2 -11.697  24.846   1.595
   21   2HE   LYS   2          1HE       LYS   2 -12.783  26.126   1.020
   22   1HZ   LYS   2          1HZ       LYS   2 -14.009  24.073   1.393
   23   2HZ   LYS   2          2HZ       LYS   2 -12.981  23.243   0.326
   24   3HZ   LYS   2          3HZ       LYS   2 -14.002  24.469  -0.256
   25    H    LYS   3           H        LYS   3  -6.634  23.355  -0.850
   26    HA   LYS   3           HA       LYS   3  -6.114  20.827   0.451
   27   1HB   LYS   3          2HB       LYS   3  -6.615  20.595  -2.204
   28   2HB   LYS   3          1HB       LYS   3  -4.879  20.904  -2.252
   29   1HG   LYS   3          2HG       LYS   3  -4.491  19.055  -0.678
   30   2HG   LYS   3          1HG       LYS   3  -6.227  18.753  -0.592
   31   1HD   LYS   3          2HD       LYS   3  -5.935  18.646  -3.257
   32   2HD   LYS   3          1HD       LYS   3  -4.305  18.158  -2.792
   33   1HE   LYS   3          2HE       LYS   3  -5.582  16.552  -1.120
   34   2HE   LYS   3          1HE       LYS   3  -6.912  16.761  -2.276
   35   1HZ   LYS   3          1HZ       LYS   3  -4.133  15.921  -2.914
   36   2HZ   LYS   3          2HZ       LYS   3  -5.331  16.251  -4.072
   37   3HZ   LYS   3          3HZ       LYS   3  -5.521  14.949  -2.998
   38    H    LYS   4           H        LYS   4  -3.894  20.676   1.101
   39    HA   LYS   4           HA       LYS   4  -2.503  23.118   1.538
   40   1HB   LYS   4          2HB       LYS   4  -1.787  20.186   1.634
   41   2HB   LYS   4          1HB       LYS   4  -0.598  21.424   2.042
   42   1HG   LYS   4          2HG       LYS   4  -1.505  21.128   4.135
   43   2HG   LYS   4          1HG       LYS   4  -2.648  22.325   3.524
   44   1HD   LYS   4          2HD       LYS   4  -4.291  20.703   3.059
   45   2HD   LYS   4          1HD       LYS   4  -3.123  19.381   3.091
   46   1HE   LYS   4          2HE       LYS   4  -4.305  19.216   5.167
   47   2HE   LYS   4          1HE       LYS   4  -2.772  20.007   5.584
   48   1HZ   LYS   4          1HZ       LYS   4  -3.836  22.155   5.314
   49   2HZ   LYS   4          2HZ       LYS   4  -4.669  21.236   6.475
   50   3HZ   LYS   4          3HZ       LYS   4  -5.305  21.409   4.909
   51    H    ASP   5           H        ASP   5  -1.169  20.418  -0.385
   52    HA   ASP   5           HA       ASP   5  -0.612  22.126  -2.701
   53   1HB   ASP   5          2HB       ASP   5   1.336  21.611  -0.514
   54   2HB   ASP   5          1HB       ASP   5   1.963  21.469  -2.157
   55    HA   PRO   6           HA       PRO   6  -0.475  18.116  -4.542
   56   1HB   PRO   6          2HB       PRO   6   1.058  18.572  -6.762
   57   2HB   PRO   6          1HB       PRO   6  -0.615  19.144  -6.610
   58   1HG   PRO   6          2HG       PRO   6   1.934  20.636  -6.260
   59   2HG   PRO   6          1HG       PRO   6   0.410  21.160  -6.993
   60   1HD   PRO   6          2HD       PRO   6   1.194  21.857  -4.473
   61   2HD   PRO   6          1HD       PRO   6  -0.506  21.747  -4.983
   62    H    ASN   7           H        ASN   7   2.704  19.764  -4.545
   63    HA   ASN   7           HA       ASN   7   4.185  17.237  -4.437
   64   1HB   ASN   7          2HB       ASN   7   4.812  19.493  -5.524
   65   2HB   ASN   7          1HB       ASN   7   5.218  20.022  -3.890
   66   1HD2  ASN   7          1HD2      ASN   7   7.449  19.859  -3.632
   67   2HD2  ASN   7          2HD2      ASN   7   8.397  18.554  -4.160
   68    H    ALA   8           H        ALA   8   2.411  18.788  -2.081
   69    HA   ALA   8           HA       ALA   8   4.373  18.440   0.113
   70   1HB   ALA   8          1HB       ALA   8   2.545  19.498   1.424
   71   2HB   ALA   8          2HB       ALA   8   1.499  19.415   0.008
   72   3HB   ALA   8          3HB       ALA   8   2.935  20.439  -0.015
   73    HA   PRO   9           HA       PRO   9   2.635  14.439   0.985
   74   1HB   PRO   9          2HB       PRO   9   3.724  14.018   3.451
   75   2HB   PRO   9          1HB       PRO   9   4.669  13.910   1.955
   76   1HG   PRO   9          2HG       PRO   9   4.579  16.061   3.985
   77   2HG   PRO   9          1HG       PRO   9   5.921  15.516   2.972
   78   1HD   PRO   9          2HD       PRO   9   4.377  17.784   2.527
   79   2HD   PRO   9          1HD       PRO   9   5.404  16.981   1.322
   80    H    LYS  10           H        LYS  10   0.400  15.274   1.203
   81    HA   LYS  10           HA       LYS  10  -0.410  15.879   3.987
   82   1HB   LYS  10          2HB       LYS  10  -2.331  17.003   2.941
   83   2HB   LYS  10          1HB       LYS  10  -0.823  17.596   2.251
   84   1HG   LYS  10          2HG       LYS  10  -1.499  15.383   0.660
   85   2HG   LYS  10          1HG       LYS  10  -3.028  16.212   0.942
   86   1HD   LYS  10          2HD       LYS  10  -2.179  18.271   0.056
   87   2HD   LYS  10          1HD       LYS  10  -0.527  17.653   0.034
   88   1HE   LYS  10          2HE       LYS  10  -2.546  16.080  -1.496
   89   2HE   LYS  10          1HE       LYS  10  -2.063  17.646  -2.177
   90   1HZ   LYS  10          1HZ       LYS  10  -0.187  15.547  -1.223
   91   2HZ   LYS  10          2HZ       LYS  10   0.244  17.034  -1.923
   92   3HZ   LYS  10          3HZ       LYS  10  -0.550  15.852  -2.851
   93    H    ARG  11           H        ARG  11   0.009  13.176   2.738
   94    HA   ARG  11           HA       ARG  11  -2.492  11.953   3.705
   95   1HB   ARG  11          2HB       ARG  11  -2.891  12.651   1.325
   96   2HB   ARG  11          1HB       ARG  11  -1.559  11.602   0.838
   97   1HG   ARG  11          2HG       ARG  11  -2.749   9.674   1.231
   98   2HG   ARG  11          1HG       ARG  11  -3.667  10.391   2.555
   99   1HD   ARG  11          2HD       ARG  11  -4.218  11.645  -0.051
  100   2HD   ARG  11          1HD       ARG  11  -4.686   9.938   0.037
  101    HE   ARG  11           HE       ARG  11  -5.494  11.202   2.462
  102   1HH1  ARG  11          1HH2      ARG  11  -6.930   9.691   0.021
  103   2HH1  ARG  11          2HH2      ARG  11  -8.253  10.784  -0.205
  104   1HH2  ARG  11          1HH1      ARG  11  -6.877  13.278   1.772
  105   2HH2  ARG  11          2HH1      ARG  11  -8.223  12.816   0.786
  106    HA   PRO  12           HA       PRO  12   1.193   9.335   4.399
  107   1HB   PRO  12          2HB       PRO  12   0.451   8.428   6.864
  108   2HB   PRO  12          1HB       PRO  12   1.291   9.970   6.612
  109   1HG   PRO  12          2HG       PRO  12  -1.569   9.444   7.170
  110   2HG   PRO  12          1HG       PRO  12  -0.546  10.800   7.656
  111   1HD   PRO  12          2HD       PRO  12  -2.390  10.863   5.598
  112   2HD   PRO  12          1HD       PRO  12  -1.030  11.989   5.789
  113    HA   PRO  13           HA       PRO  13  -1.508   5.908   3.172
  114   1HB   PRO  13          2HB       PRO  13   0.366   4.537   1.729
  115   2HB   PRO  13          1HB       PRO  13  -0.516   5.933   1.084
  116   1HG   PRO  13          2HG       PRO  13   2.272   5.737   2.021
  117   2HG   PRO  13          1HG       PRO  13   1.554   6.818   0.822
  118   1HD   PRO  13          2HD       PRO  13   2.219   7.466   3.472
  119   2HD   PRO  13          1HD       PRO  13   1.237   8.442   2.364
  120    H    SER  14           H        SER  14  -1.392   3.502   3.595
  121    HA   SER  14           HA       SER  14   0.785   2.551   5.350
  122   1HB   SER  14          2HB       SER  14  -0.704   2.226   7.258
  123   2HB   SER  14          1HB       SER  14  -0.766   3.916   6.762
  124    HG   SER  14           HG       SER  14  -2.764   3.648   6.082
  125    H    ALA  15           H        ALA  15   0.189   1.445   2.910
  126    HA   ALA  15           HA       ALA  15  -0.222  -0.629   1.913
  127   1HB   ALA  15          1HB       ALA  15  -1.253  -2.097   4.181
  128   2HB   ALA  15          2HB       ALA  15   0.139  -1.141   4.687
  129   3HB   ALA  15          3HB       ALA  15   0.294  -2.288   3.358
  130    H    PHE  16           H        PHE  16  -2.710  -0.792   4.488
  131    HA   PHE  16           HA       PHE  16  -4.868  -1.626   2.944
  132   1HB   PHE  16          2HB       PHE  16  -4.615  -1.224   5.453
  133   2HB   PHE  16          1HB       PHE  16  -5.040   0.455   5.128
  134    HD1  PHE  16           1HD      PHE  16  -7.296   1.095   4.967
  135    HD2  PHE  16           2HD      PHE  16  -6.231  -3.043   4.544
  136    HE1  PHE  16           1HE      PHE  16  -9.698   0.482   4.914
  137    HE2  PHE  16           2HE      PHE  16  -8.633  -3.657   4.493
  138    HZ   PHE  16           HZ       PHE  16 -10.367  -1.895   4.676
  139    H    PHE  17           H        PHE  17  -4.044   1.790   3.657
  140    HA   PHE  17           HA       PHE  17  -6.093   3.024   2.118
  141   1HB   PHE  17          2HB       PHE  17  -4.235   3.909   3.776
  142   2HB   PHE  17          1HB       PHE  17  -3.304   4.139   2.296
  143    HD1  PHE  17           1HD      PHE  17  -6.316   5.159   4.166
  144    HD2  PHE  17           2HD      PHE  17  -3.964   5.778   0.625
  145    HE1  PHE  17           1HE      PHE  17  -7.566   7.250   3.701
  146    HE2  PHE  17           2HE      PHE  17  -5.214   7.869   0.159
  147    HZ   PHE  17           HZ       PHE  17  -7.015   8.606   1.698
  148    H    LEU  18           H        LEU  18  -2.844   1.902   1.190
  149    HA   LEU  18           HA       LEU  18  -2.848   2.872  -1.503
  150   1HB   LEU  18          2HB       LEU  18  -1.515   0.400  -0.344
  151   2HB   LEU  18          1HB       LEU  18  -1.008   1.279  -1.781
  152    HG   LEU  18           HG       LEU  18  -0.970   2.308   1.078
  153   1HD1  LEU  18          1HD1      LEU  18   0.881   0.850   0.680
  154   2HD1  LEU  18          2HD1      LEU  18   1.504   2.492   0.520
  155   3HD1  LEU  18          3HD1      LEU  18   1.162   1.534  -0.921
  156   1HD2  LEU  18          1HD2      LEU  18   0.356   4.203  -0.241
  157   2HD2  LEU  18          2HD2      LEU  18  -1.400   4.276  -0.096
  158   3HD2  LEU  18          3HD2      LEU  18  -0.662   3.672  -1.580
  159    H    PHE  19           H        PHE  19  -3.822  -0.284  -0.120
  160    HA   PHE  19           HA       PHE  19  -4.495  -1.534  -2.619
  161   1HB   PHE  19          2HB       PHE  19  -4.061  -2.632  -0.398
  162   2HB   PHE  19          1HB       PHE  19  -5.620  -2.024   0.157
  163    HD1  PHE  19           1HD      PHE  19  -3.955  -4.257  -2.293
  164    HD2  PHE  19           2HD      PHE  19  -7.682  -3.033  -0.545
  165    HE1  PHE  19           1HE      PHE  19  -5.086  -6.192  -3.354
  166    HE2  PHE  19           2HE      PHE  19  -8.814  -4.969  -1.604
  167    HZ   PHE  19           HZ       PHE  19  -7.517  -6.548  -3.009
  168    H    CYS  20           H        CYS  20  -6.584  -0.012  -0.132
  169    HA   CYS  20           HA       CYS  20  -9.024  -0.240  -1.660
  170   1HB   CYS  20          2HB       CYS  20  -8.784   0.096   0.817
  171   2HB   CYS  20          1HB       CYS  20  -8.250   1.748   0.501
  172    HG   CYS  20           HG       CYS  20 -10.990   1.340   0.884
  173    H    SER  21           H        SER  21  -6.360   1.999  -1.767
  174    HA   SER  21           HA       SER  21  -7.762   4.236  -2.958
  175   1HB   SER  21          2HB       SER  21  -4.943   3.359  -2.496
  176   2HB   SER  21          1HB       SER  21  -5.224   4.675  -3.632
  177    HG   SER  21           HG       SER  21  -4.942   5.234  -1.327
  178    H    GLU  22           H        GLU  22  -6.474   1.245  -4.306
  179    HA   GLU  22           HA       GLU  22  -6.964   2.383  -7.041
  180   1HB   GLU  22          2HB       GLU  22  -5.082   0.960  -7.773
  181   2HB   GLU  22          1HB       GLU  22  -4.585   2.095  -6.520
  182   1HG   GLU  22          2HG       GLU  22  -4.783   0.336  -4.820
  183   2HG   GLU  22          1HG       GLU  22  -5.346  -0.803  -6.042
  184    H    TYR  23           H        TYR  23  -7.761  -0.230  -4.858
  185    HA   TYR  23           HA       TYR  23  -8.505  -2.080  -7.031
  186   1HB   TYR  23          2HB       TYR  23  -8.335  -2.056  -4.054
  187   2HB   TYR  23          1HB       TYR  23  -9.432  -3.220  -4.791
  188    HD1  TYR  23           1HD      TYR  23  -5.905  -2.086  -4.621
  189    HD2  TYR  23           2HD      TYR  23  -8.614  -5.094  -6.062
  190    HE1  TYR  23           1HE      TYR  23  -3.983  -3.542  -5.197
  191    HE2  TYR  23           2HE      TYR  23  -6.690  -6.549  -6.638
  192    HH   TYR  23           HH       TYR  23  -4.295  -6.812  -5.886
  193    H    ARG  24           H        ARG  24  -9.969   0.667  -6.317
  194    HA   ARG  24           HA       ARG  24 -12.688  -0.358  -5.816
  195   1HB   ARG  24          2HB       ARG  24 -11.532   2.416  -6.153
  196   2HB   ARG  24          1HB       ARG  24 -13.218   2.065  -5.759
  197   1HG   ARG  24          2HG       ARG  24 -12.490   0.848  -3.736
  198   2HG   ARG  24          1HG       ARG  24 -10.813   1.241  -4.114
  199   1HD   ARG  24          2HD       ARG  24 -11.307   3.002  -2.672
  200   2HD   ARG  24          1HD       ARG  24 -11.832   3.729  -4.204
  201    HE   ARG  24           HE       ARG  24 -13.778   2.159  -2.573
  202   1HH1  ARG  24          1HH2      ARG  24 -13.890   4.044  -5.179
  203   2HH1  ARG  24          2HH2      ARG  24 -14.877   5.309  -4.525
  204   1HH2  ARG  24          1HH1      ARG  24 -14.549   4.228  -1.246
  205   2HH2  ARG  24          2HH1      ARG  24 -15.249   5.413  -2.298
  206    HA   PRO  25           HA       PRO  25 -13.299   1.640 -10.153
  207   1HB   PRO  25          2HB       PRO  25 -11.120   1.757 -11.808
  208   2HB   PRO  25          1HB       PRO  25 -11.653   3.107 -10.787
  209   1HG   PRO  25          2HG       PRO  25  -9.460   1.151 -10.346
  210   2HG   PRO  25          1HG       PRO  25  -9.517   2.885  -9.992
  211   1HD   PRO  25          2HD       PRO  25  -9.822   0.971  -8.117
  212   2HD   PRO  25          1HD       PRO  25 -10.574   2.571  -7.977
  213    H    LYS  26           H        LYS  26 -11.274  -1.038  -9.346
  214    HA   LYS  26           HA       LYS  26 -11.634  -2.579 -11.797
  215   1HB   LYS  26          2HB       LYS  26  -9.842  -2.835  -9.990
  216   2HB   LYS  26          1HB       LYS  26 -11.107  -3.509  -8.957
  217   1HG   LYS  26          2HG       LYS  26 -10.678  -4.637 -11.711
  218   2HG   LYS  26          1HG       LYS  26  -9.621  -5.133 -10.389
  219   1HD   LYS  26          2HD       LYS  26 -11.842  -5.532  -9.079
  220   2HD   LYS  26          1HD       LYS  26 -12.589  -5.533 -10.677
  221   1HE   LYS  26          2HE       LYS  26 -12.063  -7.814 -10.348
  222   2HE   LYS  26          1HE       LYS  26 -10.667  -7.231 -11.277
  223   1HZ   LYS  26          1HZ       LYS  26  -9.526  -6.761  -9.192
  224   2HZ   LYS  26          2HZ       LYS  26  -9.939  -8.406  -9.291
  225   3HZ   LYS  26          3HZ       LYS  26 -10.849  -7.356  -8.312
  226    H    ILE  27           H        ILE  27 -12.995  -2.745  -8.502
  227    HA   ILE  27           HA       ILE  27 -15.002  -4.667  -8.815
  228    HB   ILE  27           HB       ILE  27 -15.148  -2.035  -7.294
  229   1HG1  ILE  27          2HG1      ILE  27 -13.087  -3.141  -6.651
  230   2HG1  ILE  27          1HG1      ILE  27 -14.256  -3.375  -5.365
  231   1HG2  ILE  27          1HG2      ILE  27 -16.553  -3.395  -5.717
  232   2HG2  ILE  27          2HG2      ILE  27 -16.546  -4.688  -6.916
  233   3HG2  ILE  27          3HG2      ILE  27 -17.284  -3.134  -7.301
  234   1HD1  ILE  27          1HD1      ILE  27 -13.402  -5.372  -7.460
  235   2HD1  ILE  27          2HD1      ILE  27 -14.824  -5.602  -6.441
  236   3HD1  ILE  27          3HD1      ILE  27 -13.223  -5.492  -5.709
  237    H    LYS  28           H        LYS  28 -14.930  -1.362  -9.996
  238    HA   LYS  28           HA       LYS  28 -17.809  -1.185 -10.456
  239   1HB   LYS  28          2HB       LYS  28 -15.816   0.561 -11.881
  240   2HB   LYS  28          1HB       LYS  28 -17.369   0.989 -11.177
  241   1HG   LYS  28          2HG       LYS  28 -14.744   0.553  -9.785
  242   2HG   LYS  28          1HG       LYS  28 -15.703   2.014  -9.816
  243   1HD   LYS  28          2HD       LYS  28 -16.400  -0.569  -8.374
  244   2HD   LYS  28          1HD       LYS  28 -15.909   0.950  -7.634
  245   1HE   LYS  28          2HE       LYS  28 -18.371   0.711  -9.399
  246   2HE   LYS  28          1HE       LYS  28 -18.420   0.558  -7.631
  247   1HZ   LYS  28          1HZ       LYS  28 -17.197   2.702  -7.525
  248   2HZ   LYS  28          2HZ       LYS  28 -18.763   2.845  -8.169
  249   3HZ   LYS  28          3HZ       LYS  28 -17.412   2.870  -9.199
  250    H    SER  29           H        SER  29 -14.993  -2.125 -12.354
  251    HA   SER  29           HA       SER  29 -16.241  -2.088 -14.949
  252   1HB   SER  29          2HB       SER  29 -13.780  -2.188 -14.372
  253   2HB   SER  29          1HB       SER  29 -14.014  -3.874 -13.920
  254    HG   SER  29           HG       SER  29 -14.025  -2.654 -16.421
  255    H    GLU  30           H        GLU  30 -16.434  -4.327 -12.267
  256    HA   GLU  30           HA       GLU  30 -17.905  -6.273 -14.016
  257   1HB   GLU  30          2HB       GLU  30 -15.884  -6.495 -11.848
  258   2HB   GLU  30          1HB       GLU  30 -17.160  -7.711 -11.844
  259   1HG   GLU  30          2HG       GLU  30 -15.672  -7.034 -14.378
  260   2HG   GLU  30          1HG       GLU  30 -15.026  -8.208 -13.231
  261    H    HIS  31           H        HIS  31 -18.182  -4.124 -11.327
  262    HA   HIS  31           HA       HIS  31 -20.850  -5.330 -10.681
  263   1HB   HIS  31          2HB       HIS  31 -18.958  -4.031  -8.691
  264   2HB   HIS  31          1HB       HIS  31 -20.450  -4.889  -8.332
  265    HD1  HIS  31           1HD      HIS  31 -16.848  -5.407  -8.878
  266    HD2  HIS  31           2HD      HIS  31 -20.275  -7.779  -8.853
  267    HE1  HIS  31           1HE      HIS  31 -16.056  -7.806  -8.730
  268    HA   PRO  32           HA       PRO  32 -21.434  -0.945 -11.810
  269   1HB   PRO  32          2HB       PRO  32 -23.928  -1.270 -12.887
  270   2HB   PRO  32          1HB       PRO  32 -22.436  -1.555 -13.798
  271   1HG   PRO  32          2HG       PRO  32 -24.303  -3.503 -12.578
  272   2HG   PRO  32          1HG       PRO  32 -23.337  -3.632 -14.056
  273   1HD   PRO  32          2HD       PRO  32 -22.704  -4.820 -11.649
  274   2HD   PRO  32          1HD       PRO  32 -21.548  -4.484 -12.955
  275    H    GLY  33           H        GLY  33 -23.696  -3.184 -10.263
  276   1HA   GLY  33          2HA       GLY  33 -25.243  -1.089  -8.964
  277   2HA   GLY  33          1HA       GLY  33 -25.342  -2.816  -8.627
  278    H    LEU  34           H        LEU  34 -22.212  -2.591  -8.320
  279    HA   LEU  34           HA       LEU  34 -22.064  -2.653  -5.496
  280   1HB   LEU  34          2HB       LEU  34 -20.350  -2.826  -7.772
  281   2HB   LEU  34          1HB       LEU  34 -19.608  -1.681  -6.663
  282    HG   LEU  34           HG       LEU  34 -18.884  -4.034  -6.262
  283   1HD1  LEU  34          1HD1      LEU  34 -18.791  -3.729  -3.985
  284   2HD1  LEU  34          2HD1      LEU  34 -20.499  -3.306  -3.863
  285   3HD1  LEU  34          3HD1      LEU  34 -19.337  -2.120  -4.458
  286   1HD2  LEU  34          1HD2      LEU  34 -21.399  -4.798  -4.932
  287   2HD2  LEU  34          2HD2      LEU  34 -20.347  -5.750  -5.978
  288   3HD2  LEU  34          3HD2      LEU  34 -21.544  -4.666  -6.685
  289    H    SER  35           H        SER  35 -23.270  -0.786  -4.716
  290    HA   SER  35           HA       SER  35 -22.377   1.938  -5.333
  291   1HB   SER  35          2HB       SER  35 -24.098   2.490  -3.625
  292   2HB   SER  35          1HB       SER  35 -24.717   1.346  -4.813
  293    HG   SER  35           HG       SER  35 -25.201   0.302  -3.021
  294    H    ILE  36           H        ILE  36 -21.731   3.403  -3.416
  295    HA   ILE  36           HA       ILE  36 -19.297   2.654  -2.238
  296    HB   ILE  36           HB       ILE  36 -21.456   4.563  -1.278
  297   1HG1  ILE  36          2HG1      ILE  36 -20.595   5.022  -3.549
  298   2HG1  ILE  36          1HG1      ILE  36 -20.064   6.263  -2.417
  299   1HG2  ILE  36          1HG2      ILE  36 -20.039   4.257   0.604
  300   2HG2  ILE  36          2HG2      ILE  36 -19.421   5.710  -0.182
  301   3HG2  ILE  36          3HG2      ILE  36 -18.590   4.170  -0.398
  302   1HD1  ILE  36          1HD1      ILE  36 -18.441   3.952  -3.511
  303   2HD1  ILE  36          2HD1      ILE  36 -17.908   4.939  -2.151
  304   3HD1  ILE  36          3HD1      ILE  36 -18.145   5.677  -3.735
  305    H    GLY  37           H        GLY  37 -22.559   1.921  -1.166
  306   1HA   GLY  37          2HA       GLY  37 -22.044   1.239   1.544
  307   2HA   GLY  37          1HA       GLY  37 -23.338   0.541   0.563
  308    H    ASP  38           H        ASP  38 -22.504  -1.142  -1.096
  309    HA   ASP  38           HA       ASP  38 -21.028  -3.179   0.371
  310   1HB   ASP  38          2HB       ASP  38 -22.982  -3.587  -1.104
  311   2HB   ASP  38          1HB       ASP  38 -22.021  -3.076  -2.492
  312    H    THR  39           H        THR  39 -20.059  -0.693  -1.862
  313    HA   THR  39           HA       THR  39 -17.837  -1.969  -3.141
  314    HB   THR  39           HB       THR  39 -18.344   0.909  -2.311
  315    HG1  THR  39           1HG      THR  39 -19.203   1.089  -4.300
  316   1HG2  THR  39          1HG2      THR  39 -16.243  -0.302  -4.125
  317   2HG2  THR  39          2HG2      THR  39 -15.982   0.719  -2.712
  318   3HG2  THR  39          3HG2      THR  39 -16.686   1.404  -4.177
  319    H    ALA  40           H        ALA  40 -18.127  -0.254  -0.043
  320    HA   ALA  40           HA       ALA  40 -15.347  -0.371   0.693
  321   1HB   ALA  40          1HB       ALA  40 -17.908  -0.268   2.328
  322   2HB   ALA  40          2HB       ALA  40 -17.001   1.122   1.733
  323   3HB   ALA  40          3HB       ALA  40 -16.300   0.074   2.965
  324    H    LYS  41           H        LYS  41 -18.100  -2.559   1.181
  325    HA   LYS  41           HA       LYS  41 -16.746  -4.430   2.905
  326   1HB   LYS  41          2HB       LYS  41 -19.221  -4.417   1.177
  327   2HB   LYS  41          1HB       LYS  41 -18.719  -5.894   1.998
  328   1HG   LYS  41          2HG       LYS  41 -20.283  -4.741   3.446
  329   2HG   LYS  41          1HG       LYS  41 -18.676  -4.577   4.159
  330   1HD   LYS  41          2HD       LYS  41 -18.510  -2.331   3.558
  331   2HD   LYS  41          1HD       LYS  41 -19.669  -2.507   2.253
  332   1HE   LYS  41          2HE       LYS  41 -21.240  -1.683   3.639
  333   2HE   LYS  41          1HE       LYS  41 -21.100  -3.173   4.590
  334   1HZ   LYS  41          1HZ       LYS  41 -19.367  -0.772   4.874
  335   2HZ   LYS  41          2HZ       LYS  41 -19.234  -2.204   5.777
  336   3HZ   LYS  41          3HZ       LYS  41 -20.606  -1.216   5.943
  337    H    LYS  42           H        LYS  42 -17.022  -4.107  -0.638
  338    HA   LYS  42           HA       LYS  42 -15.976  -6.742  -1.246
  339   1HB   LYS  42          2HB       LYS  42 -17.011  -4.381  -2.569
  340   2HB   LYS  42          1HB       LYS  42 -15.518  -4.883  -3.360
  341   1HG   LYS  42          2HG       LYS  42 -17.226  -6.092  -4.470
  342   2HG   LYS  42          1HG       LYS  42 -16.514  -7.257  -3.353
  343   1HD   LYS  42          2HD       LYS  42 -18.819  -5.587  -2.413
  344   2HD   LYS  42          1HD       LYS  42 -19.146  -6.947  -3.486
  345   1HE   LYS  42          2HE       LYS  42 -17.404  -8.071  -1.664
  346   2HE   LYS  42          1HE       LYS  42 -18.354  -6.964  -0.652
  347   1HZ   LYS  42          1HZ       LYS  42 -19.482  -9.100  -0.917
  348   2HZ   LYS  42          2HZ       LYS  42 -19.475  -8.908  -2.604
  349   3HZ   LYS  42          3HZ       LYS  42 -20.375  -7.848  -1.629
  350    H    LEU  43           H        LEU  43 -14.509  -3.861  -0.079
  351    HA   LEU  43           HA       LEU  43 -11.873  -4.460  -1.308
  352   1HB   LEU  43          2HB       LEU  43 -12.955  -2.225   0.432
  353   2HB   LEU  43          1HB       LEU  43 -11.312  -2.272  -0.209
  354    HG   LEU  43           HG       LEU  43 -13.761  -2.461  -1.976
  355   1HD1  LEU  43          1HD1      LEU  43 -13.453  -0.282  -0.556
  356   2HD1  LEU  43          2HD1      LEU  43 -13.744  -0.139  -2.290
  357   3HD1  LEU  43          3HD1      LEU  43 -12.109   0.033  -1.653
  358   1HD2  LEU  43          1HD2      LEU  43 -11.647  -3.299  -2.922
  359   2HD2  LEU  43          2HD2      LEU  43 -10.846  -1.785  -2.499
  360   3HD2  LEU  43          3HD2      LEU  43 -12.122  -1.797  -3.717
  361    H    GLY  44           H        GLY  44 -13.595  -4.625   1.756
  362   1HA   GLY  44          2HA       GLY  44 -11.133  -5.236   3.267
  363   2HA   GLY  44          1HA       GLY  44 -12.756  -5.101   3.944
  364    H    GLU  45           H        GLU  45 -14.180  -6.872   2.358
  365    HA   GLU  45           HA       GLU  45 -13.797  -9.385   3.546
  366   1HB   GLU  45          2HB       GLU  45 -15.755  -8.471   2.204
  367   2HB   GLU  45          1HB       GLU  45 -14.854  -8.896   0.748
  368   1HG   GLU  45          2HG       GLU  45 -14.826 -11.232   1.365
  369   2HG   GLU  45          1HG       GLU  45 -15.510 -10.872   2.950
  370    H    MET  46           H        MET  46 -12.265  -8.075   0.641
  371    HA   MET  46           HA       MET  46 -10.987 -10.650  -0.043
  372   1HB   MET  46          2HB       MET  46 -10.865  -7.822  -1.137
  373   2HB   MET  46          1HB       MET  46  -9.990  -9.179  -1.848
  374   1HG   MET  46          2HG       MET  46 -12.236 -10.381  -1.996
  375   2HG   MET  46          1HG       MET  46 -12.986  -8.834  -1.600
  376   1HE   MET  46          1HE       MET  46 -10.975 -10.268  -5.378
  377   2HE   MET  46          2HE       MET  46 -11.120 -11.033  -3.797
  378   3HE   MET  46          3HE       MET  46  -9.846  -9.850  -4.081
  379    H    TRP  47           H        TRP  47 -10.056  -7.444   1.208
  380    HA   TRP  47           HA       TRP  47  -7.245  -7.789   1.330
  381   1HB   TRP  47          2HB       TRP  47  -8.523  -5.687   1.708
  382   2HB   TRP  47          1HB       TRP  47  -9.091  -6.328   3.250
  383    HD1  TRP  47           HD       TRP  47  -7.598  -5.947   5.285
  384    HE1  TRP  47           1HE      TRP  47  -5.194  -5.094   5.661
  385    HE3  TRP  47           3HE      TRP  47  -5.996  -5.659   0.444
  386    HZ2  TRP  47           2HZ      TRP  47  -2.896  -4.383   4.113
  387    HZ3  TRP  47           3HZ      TRP  47  -3.698  -4.891  -0.075
  388    HH2  TRP  47           HH       TRP  47  -2.148  -4.253   1.751
  389    H    SER  48           H        SER  48  -9.751  -9.234   3.315
  390    HA   SER  48           HA       SER  48  -7.821 -10.026   5.422
  391   1HB   SER  48          2HB       SER  48 -10.707  -9.696   5.071
  392   2HB   SER  48          1HB       SER  48 -10.309 -11.203   5.889
  393    HG   SER  48           HG       SER  48  -9.931 -10.034   7.580
  394    H    GLU  49           H        GLU  49  -9.764 -11.433   2.807
  395    HA   GLU  49           HA       GLU  49  -9.336 -14.201   3.377
  396   1HB   GLU  49          2HB       GLU  49  -9.986 -12.512   0.983
  397   2HB   GLU  49          1HB       GLU  49  -9.618 -14.219   0.734
  398   1HG   GLU  49          2HG       GLU  49 -11.333 -14.735   2.538
  399   2HG   GLU  49          1HG       GLU  49 -11.810 -13.039   2.456
  400    H    GLN  50           H        GLN  50  -7.360 -11.805   1.678
  401    HA   GLN  50           HA       GLN  50  -5.448 -13.504   0.443
  402   1HB   GLN  50          2HB       GLN  50  -5.263 -10.739   1.676
  403   2HB   GLN  50          1HB       GLN  50  -3.993 -11.441   0.673
  404   1HG   GLN  50          2HG       GLN  50  -6.783 -11.471  -0.395
  405   2HG   GLN  50          1HG       GLN  50  -5.918  -9.933  -0.391
  406   1HE2  GLN  50          1HE2      GLN  50  -4.936  -9.612  -2.388
  407   2HE2  GLN  50          2HE2      GLN  50  -4.183 -10.821  -3.312
  408    H    SER  51           H        SER  51  -3.410 -14.281   1.168
  409    HA   SER  51           HA       SER  51  -3.251 -14.851   4.067
  410   1HB   SER  51          2HB       SER  51  -2.937 -16.539   2.208
  411   2HB   SER  51          1HB       SER  51  -1.463 -15.686   1.758
  412    HG   SER  51           HG       SER  51  -2.066 -16.962   4.222
  413    H    ALA  52           H        ALA  52  -0.302 -15.052   4.010
  414    HA   ALA  52           HA       ALA  52   0.328 -12.247   4.634
  415   1HB   ALA  52          1HB       ALA  52   1.052 -14.085   6.077
  416   2HB   ALA  52          2HB       ALA  52   2.474 -13.310   5.377
  417   3HB   ALA  52          3HB       ALA  52   1.897 -14.845   4.727
  418    H    LYS  53           H        LYS  53  -0.191 -12.227   1.966
  419    HA   LYS  53           HA       LYS  53   2.522 -11.976   0.726
  420   1HB   LYS  53          2HB       LYS  53   0.080 -13.485  -0.160
  421   2HB   LYS  53          1HB       LYS  53   1.167 -12.820  -1.380
  422   1HG   LYS  53          2HG       LYS  53   3.071 -13.988  -0.273
  423   2HG   LYS  53          1HG       LYS  53   1.932 -14.717   0.859
  424   1HD   LYS  53          2HD       LYS  53   0.772 -15.847  -0.956
  425   2HD   LYS  53          1HD       LYS  53   1.774 -15.026  -2.153
  426   1HE   LYS  53          2HE       LYS  53   2.812 -17.147  -1.930
  427   2HE   LYS  53          1HE       LYS  53   3.778 -16.115  -0.858
  428   1HZ   LYS  53          1HZ       LYS  53   1.430 -17.739  -0.030
  429   2HZ   LYS  53          2HZ       LYS  53   2.360 -16.746   0.988
  430   3HZ   LYS  53          3HZ       LYS  53   3.050 -18.130   0.285
  431    H    ASP  54           H        ASP  54  -0.945 -11.137   0.521
  432    HA   ASP  54           HA       ASP  54  -0.728  -9.069  -1.444
  433   1HB   ASP  54          2HB       ASP  54  -2.772 -10.293  -0.431
  434   2HB   ASP  54          1HB       ASP  54  -2.670  -9.106   0.871
  435    H    LYS  55           H        LYS  55  -0.378  -8.994   2.110
  436    HA   LYS  55           HA       LYS  55   0.124  -6.069   2.020
  437   1HB   LYS  55          2HB       LYS  55  -1.390  -7.124   3.692
  438   2HB   LYS  55          1HB       LYS  55  -0.024  -8.046   4.317
  439   1HG   LYS  55          2HG       LYS  55   1.018  -6.152   5.203
  440   2HG   LYS  55          1HG       LYS  55   0.170  -5.055   4.113
  441   1HD   LYS  55          2HD       LYS  55  -0.909  -4.718   6.185
  442   2HD   LYS  55          1HD       LYS  55  -1.979  -5.835   5.337
  443   1HE   LYS  55          2HE       LYS  55  -0.915  -7.743   6.519
  444   2HE   LYS  55          1HE       LYS  55   0.118  -6.601   7.401
  445   1HZ   LYS  55          1HZ       LYS  55  -1.892  -5.462   8.167
  446   2HZ   LYS  55          2HZ       LYS  55  -1.862  -7.081   8.686
  447   3HZ   LYS  55          3HZ       LYS  55  -2.855  -6.620   7.387
  448    H    GLN  56           H        GLN  56   2.081  -8.343   1.071
  449    HA   GLN  56           HA       GLN  56   4.323  -7.958   2.960
  450   1HB   GLN  56          2HB       GLN  56   3.579  -9.740   0.733
  451   2HB   GLN  56          1HB       GLN  56   5.290  -9.320   0.764
  452   1HG   GLN  56          2HG       GLN  56   5.044  -9.859   3.346
  453   2HG   GLN  56          1HG       GLN  56   3.667 -10.814   2.793
  454   1HE2  GLN  56          1HE2      GLN  56   4.135 -12.865   1.945
  455   2HE2  GLN  56          2HE2      GLN  56   5.691 -13.400   1.528
  456    HA   PRO  57           HA       PRO  57   6.134  -5.589  -0.710
  457   1HB   PRO  57          2HB       PRO  57   4.826  -5.424  -3.084
  458   2HB   PRO  57          1HB       PRO  57   5.887  -6.788  -2.677
  459   1HG   PRO  57          2HG       PRO  57   2.938  -6.626  -2.693
  460   2HG   PRO  57          1HG       PRO  57   3.992  -7.994  -3.068
  461   1HD   PRO  57          2HD       PRO  57   2.607  -7.619  -0.691
  462   2HD   PRO  57          1HD       PRO  57   3.990  -8.706  -0.928
  463    H    TYR  58           H        TYR  58   2.652  -5.414  -0.333
  464    HA   TYR  58           HA       TYR  58   2.394  -2.625  -1.167
  465   1HB   TYR  58          2HB       TYR  58   0.732  -4.885  -0.231
  466   2HB   TYR  58          1HB       TYR  58   0.105  -3.294   0.182
  467    HD1  TYR  58           1HD      TYR  58  -0.462  -1.660  -1.583
  468    HD2  TYR  58           2HD      TYR  58   0.892  -5.625  -2.531
  469    HE1  TYR  58           1HE      TYR  58  -1.260  -1.375  -3.915
  470    HE2  TYR  58           2HE      TYR  58   0.094  -5.340  -4.863
  471    HH   TYR  58           HH       TYR  58  -0.332  -2.907  -6.375
  472    H    GLU  59           H        GLU  59   3.144  -4.236   1.855
  473    HA   GLU  59           HA       GLU  59   2.261  -1.992   3.530
  474   1HB   GLU  59          2HB       GLU  59   3.058  -3.385   5.337
  475   2HB   GLU  59          1HB       GLU  59   2.267  -4.434   4.170
  476   1HG   GLU  59          2HG       GLU  59   4.224  -5.633   4.518
  477   2HG   GLU  59          1HG       GLU  59   4.733  -4.607   3.177
  478    H    GLN  60           H        GLN  60   5.180  -2.880   1.838
  479    HA   GLN  60           HA       GLN  60   6.928  -1.154   3.449
  480   1HB   GLN  60          2HB       GLN  60   8.606  -1.863   1.760
  481   2HB   GLN  60          1HB       GLN  60   7.731  -3.240   2.425
  482   1HG   GLN  60          2HG       GLN  60   6.447  -3.521   0.471
  483   2HG   GLN  60          1HG       GLN  60   6.796  -1.894  -0.107
  484   1HE2  GLN  60          1HE2      GLN  60   8.521  -4.966   0.674
  485   2HE2  GLN  60          2HE2      GLN  60   9.680  -4.797  -0.555
  486    H    LYS  61           H        LYS  61   4.959  -0.875   0.573
  487    HA   LYS  61           HA       LYS  61   6.238   1.346  -0.702
  488   1HB   LYS  61          2HB       LYS  61   4.479  -0.091  -1.693
  489   2HB   LYS  61          1HB       LYS  61   3.309   0.544  -0.535
  490   1HG   LYS  61          2HG       LYS  61   3.425   2.738  -1.478
  491   2HG   LYS  61          1HG       LYS  61   4.849   2.328  -2.434
  492   1HD   LYS  61          2HD       LYS  61   3.421   0.596  -3.619
  493   2HD   LYS  61          1HD       LYS  61   2.024   1.306  -2.807
  494   1HE   LYS  61          2HE       LYS  61   2.654   3.534  -3.801
  495   2HE   LYS  61          1HE       LYS  61   3.908   2.699  -4.740
  496   1HZ   LYS  61          1HZ       LYS  61   1.009   2.038  -4.739
  497   2HZ   LYS  61          2HZ       LYS  61   2.209   1.205  -5.606
  498   3HZ   LYS  61          3HZ       LYS  61   1.842   2.818  -5.993
  499    H    ALA  62           H        ALA  62   3.597   1.235   1.709
  500    HA   ALA  62           HA       ALA  62   3.428   4.126   1.958
  501   1HB   ALA  62          1HB       ALA  62   2.106   3.316   4.072
  502   2HB   ALA  62          2HB       ALA  62   2.348   1.709   3.386
  503   3HB   ALA  62          3HB       ALA  62   1.471   2.936   2.471
  504    H    ALA  63           H        ALA  63   5.688   1.853   3.144
  505    HA   ALA  63           HA       ALA  63   6.271   3.273   5.659
  506   1HB   ALA  63          1HB       ALA  63   7.770   1.084   4.184
  507   2HB   ALA  63          2HB       ALA  63   6.445   0.790   5.309
  508   3HB   ALA  63          3HB       ALA  63   7.945   1.515   5.885
  509    H    LYS  64           H        LYS  64   6.896   3.952   2.425
  510    HA   LYS  64           HA       LYS  64   9.614   5.074   2.935
  511   1HB   LYS  64          2HB       LYS  64   7.948   4.362   0.510
  512   2HB   LYS  64          1HB       LYS  64   9.442   5.281   0.379
  513   1HG   LYS  64          2HG       LYS  64   9.275   2.609   1.786
  514   2HG   LYS  64          1HG       LYS  64   9.676   2.761   0.074
  515   1HD   LYS  64          2HD       LYS  64  11.589   4.223   0.659
  516   2HD   LYS  64          1HD       LYS  64  11.203   4.029   2.369
  517   1HE   LYS  64          2HE       LYS  64  11.868   1.784   2.402
  518   2HE   LYS  64          1HE       LYS  64  11.633   1.588   0.654
  519   1HZ   LYS  64          1HZ       LYS  64  13.481   2.983   0.206
  520   2HZ   LYS  64          2HZ       LYS  64  14.006   1.853   1.362
  521   3HZ   LYS  64          3HZ       LYS  64  13.628   3.442   1.833
  522    H    LEU  65           H        LEU  65   6.303   5.854   2.132
  523    HA   LEU  65           HA       LEU  65   6.864   8.699   1.579
  524   1HB   LEU  65          2HB       LEU  65   4.510   6.829   1.569
  525   2HB   LEU  65          1HB       LEU  65   4.224   8.570   1.578
  526    HG   LEU  65           HG       LEU  65   6.000   8.575  -0.366
  527   1HD1  LEU  65          1HD1      LEU  65   5.066   5.710  -0.200
  528   2HD1  LEU  65          2HD1      LEU  65   6.708   6.320  -0.399
  529   3HD1  LEU  65          3HD1      LEU  65   5.565   6.415  -1.737
  530   1HD2  LEU  65          1HD2      LEU  65   3.165   7.548  -0.724
  531   2HD2  LEU  65          2HD2      LEU  65   4.149   8.282  -1.990
  532   3HD2  LEU  65          3HD2      LEU  65   3.640   9.242  -0.601
  533    H    LYS  66           H        LYS  66   6.206   6.697   4.322
  534    HA   LYS  66           HA       LYS  66   4.828   8.684   5.947
  535   1HB   LYS  66          2HB       LYS  66   4.654   6.220   6.244
  536   2HB   LYS  66          1HB       LYS  66   6.371   6.159   6.642
  537   1HG   LYS  66          2HG       LYS  66   5.626   6.362   8.787
  538   2HG   LYS  66          1HG       LYS  66   5.535   8.077   8.384
  539   1HD   LYS  66          2HD       LYS  66   3.230   8.040   8.136
  540   2HD   LYS  66          1HD       LYS  66   3.199   6.331   7.699
  541   1HE   LYS  66          2HE       LYS  66   3.878   5.806  10.092
  542   2HE   LYS  66          1HE       LYS  66   3.583   7.517  10.466
  543   1HZ   LYS  66          1HZ       LYS  66   1.647   5.600   9.278
  544   2HZ   LYS  66          2HZ       LYS  66   1.366   7.267   9.440
  545   3HZ   LYS  66          3HZ       LYS  66   1.561   6.297  10.821
  546    H    GLU  67           H        GLU  67   8.170   7.745   5.312
  547    HA   GLU  67           HA       GLU  67   9.389   9.113   7.545
  548   1HB   GLU  67          2HB       GLU  67  10.297   8.198   4.806
  549   2HB   GLU  67          1HB       GLU  67  11.404   8.967   5.944
  550   1HG   GLU  67          2HG       GLU  67  10.726   7.227   7.646
  551   2HG   GLU  67          1HG       GLU  67   9.845   6.403   6.357
  552    H    LYS  68           H        LYS  68   9.272  10.037   4.077
  553    HA   LYS  68           HA       LYS  68  10.180  12.713   4.419
  554   1HB   LYS  68          2HB       LYS  68   8.434  11.333   2.362
  555   2HB   LYS  68          1HB       LYS  68   9.025  12.982   2.158
  556   1HG   LYS  68          2HG       LYS  68  10.984  10.823   2.857
  557   2HG   LYS  68          1HG       LYS  68  10.411  10.948   1.193
  558   1HD   LYS  68          2HD       LYS  68  12.203  12.396   1.070
  559   2HD   LYS  68          1HD       LYS  68  10.959  13.532   1.593
  560   1HE   LYS  68          2HE       LYS  68  11.801  13.672   3.751
  561   2HE   LYS  68          1HE       LYS  68  12.475  12.031   3.702
  562   1HZ   LYS  68          1HZ       LYS  68  13.458  14.351   2.125
  563   2HZ   LYS  68          2HZ       LYS  68  14.092  12.776   2.069
  564   3HZ   LYS  68          3HZ       LYS  68  14.225  13.699   3.490
  565    H    TYR  69           H        TYR  69   7.008  11.282   4.907
  566    HA   TYR  69           HA       TYR  69   5.483  13.756   4.821
  567   1HB   TYR  69          2HB       TYR  69   4.540  11.480   4.515
  568   2HB   TYR  69          1HB       TYR  69   4.975  11.076   6.172
  569    HD1  TYR  69           1HD      TYR  69   2.495  12.557   4.029
  570    HD2  TYR  69           2HD      TYR  69   3.954  12.496   8.069
  571    HE1  TYR  69           1HE      TYR  69   0.352  13.517   4.823
  572    HE2  TYR  69           2HE      TYR  69   1.814  13.459   8.859
  573    HH   TYR  69           HH       TYR  69  -0.050  14.744   8.001
  574    H    GLU  70           H        GLU  70   6.226  11.655   7.586
  575    HA   GLU  70           HA       GLU  70   5.685  13.574   9.628
  576   1HB   GLU  70          2HB       GLU  70   7.240  11.011   9.403
  577   2HB   GLU  70          1HB       GLU  70   7.276  11.921  10.915
  578   1HG   GLU  70          2HG       GLU  70   4.707  11.958  10.750
  579   2HG   GLU  70          1HG       GLU  70   4.888  10.703   9.524
  580    H    LYS  71           H        LYS  71   8.450  13.273   7.539
  581    HA   LYS  71           HA       LYS  71  10.186  14.842   9.377
  582   1HB   LYS  71          2HB       LYS  71  10.589  13.394   6.749
  583   2HB   LYS  71          1HB       LYS  71  11.866  14.311   7.548
  584   1HG   LYS  71          2HG       LYS  71  11.578  12.909   9.578
  585   2HG   LYS  71          1HG       LYS  71  10.357  11.961   8.729
  586   1HD   LYS  71          2HD       LYS  71  12.047  11.382   6.998
  587   2HD   LYS  71          1HD       LYS  71  13.264  12.266   7.919
  588   1HE   LYS  71          2HE       LYS  71  12.926  10.755   9.844
  589   2HE   LYS  71          1HE       LYS  71  11.695   9.864   8.926
  590   1HZ   LYS  71          1HZ       LYS  71  13.347   9.471   7.188
  591   2HZ   LYS  71          2HZ       LYS  71  13.849   8.809   8.671
  592   3HZ   LYS  71          3HZ       LYS  71  14.526  10.265   8.114
  593    H    ASP  72           H        ASP  72   8.233  15.281   6.505
  594    HA   ASP  72           HA       ASP  72   9.549  17.914   5.964
  595   1HB   ASP  72          2HB       ASP  72   9.271  16.135   4.184
  596   2HB   ASP  72          1HB       ASP  72   7.528  16.378   4.310
  597    H    ILE  73           H        ILE  73   6.434  16.429   6.786
  598    HA   ILE  73           HA       ILE  73   4.814  18.773   6.426
  599    HB   ILE  73           HB       ILE  73   4.102  16.350   6.633
  600   1HG1  ILE  73          2HG1      ILE  73   2.063  16.940   8.068
  601   2HG1  ILE  73          1HG1      ILE  73   2.824  18.513   8.310
  602   1HG2  ILE  73          1HG2      ILE  73   5.551  16.096   8.797
  603   2HG2  ILE  73          2HG2      ILE  73   4.002  15.257   8.701
  604   3HG2  ILE  73          3HG2      ILE  73   4.135  16.760   9.613
  605   1HD1  ILE  73          1HD1      ILE  73   2.847  18.938   5.925
  606   2HD1  ILE  73          2HD1      ILE  73   1.211  18.460   6.378
  607   3HD1  ILE  73          3HD1      ILE  73   2.280  17.304   5.585
  608    H    ALA  74           H        ALA  74   6.847  17.667   9.082
  609    HA   ALA  74           HA       ALA  74   5.849  19.346  11.173
  610   1HB   ALA  74          1HB       ALA  74   7.448  17.409  11.349
  611   2HB   ALA  74          2HB       ALA  74   7.999  18.847  12.210
  612   3HB   ALA  74          3HB       ALA  74   8.697  18.436  10.644
  613    H    ALA  75           H        ALA  75   8.732  19.858   9.100
  614    HA   ALA  75           HA       ALA  75   9.133  22.598   9.887
  615   1HB   ALA  75          1HB       ALA  75  10.817  21.046   8.879
  616   2HB   ALA  75          2HB       ALA  75  10.716  22.581   8.017
  617   3HB   ALA  75          3HB       ALA  75   9.945  21.143   7.349
  618    H    TYR  76           H        TYR  76   6.938  21.108   7.629
  619    HA   TYR  76           HA       TYR  76   6.533  23.417   5.908
  620   1HB   TYR  76          2HB       TYR  76   6.086  21.008   5.347
  621   2HB   TYR  76          1HB       TYR  76   4.740  21.035   6.488
  622    HD1  TYR  76           1HD      TYR  76   6.025  22.399   3.295
  623    HD2  TYR  76           2HD      TYR  76   2.675  22.176   5.974
  624    HE1  TYR  76           1HE      TYR  76   4.562  23.377   1.547
  625    HE2  TYR  76           2HE      TYR  76   1.212  23.153   4.225
  626    HH   TYR  76           HH       TYR  76   1.640  24.707   2.129
  627    H    ARG  77           H        ARG  77   4.909  22.105   8.792
  628    HA   ARG  77           HA       ARG  77   2.729  24.014   8.784
  629   1HB   ARG  77          2HB       ARG  77   3.931  22.002  10.660
  630   2HB   ARG  77          1HB       ARG  77   2.749  23.147  11.293
  631   1HG   ARG  77          2HG       ARG  77   1.092  22.429   9.688
  632   2HG   ARG  77          1HG       ARG  77   2.275  21.433   8.840
  633   1HD   ARG  77          2HD       ARG  77   2.212  19.763  10.437
  634   2HD   ARG  77          1HD       ARG  77   1.874  20.899  11.758
  635    HE   ARG  77           HE       ARG  77  -0.204  20.378   9.675
  636   1HH1  ARG  77          1HH1      ARG  77  -0.054  21.986  12.457
  637   2HH1  ARG  77          2HH1      ARG  77  -1.181  21.027  13.357
  638   1HH2  ARG  77          1HH2      ARG  77  -1.249  18.451  11.036
  639   2HH2  ARG  77          2HH2      ARG  77  -1.857  19.025  12.552
  640    H    ALA  78           H        ALA  78   5.023  23.761  11.504
  641    HA   ALA  78           HA       ALA  78   6.098  26.448  11.178
  642   1HB   ALA  78          1HB       ALA  78   3.895  27.128  11.800
  643   2HB   ALA  78          2HB       ALA  78   4.845  27.252  13.280
  644   3HB   ALA  78          3HB       ALA  78   3.777  25.872  13.032
  645    H    LYS  79           H        LYS  79   7.135  23.787  11.736
  646    HA   LYS  79           HA       LYS  79   8.139  24.116  14.544
  647   1HB   LYS  79          2HB       LYS  79   7.218  21.870  12.875
  648   2HB   LYS  79          1HB       LYS  79   8.693  21.536  13.779
  649   1HG   LYS  79          2HG       LYS  79   7.633  22.053  15.867
  650   2HG   LYS  79          1HG       LYS  79   6.218  22.723  15.054
  651   1HD   LYS  79          2HD       LYS  79   7.026  19.862  14.579
  652   2HD   LYS  79          1HD       LYS  79   6.076  20.296  16.001
  653   1HE   LYS  79          2HE       LYS  79   5.176  21.341  13.336
  654   2HE   LYS  79          1HE       LYS  79   4.850  19.643  13.738
  655   1HZ   LYS  79          1HZ       LYS  79   3.908  20.353  15.845
  656   2HZ   LYS  79          2HZ       LYS  79   3.081  21.088  14.557
  657   3HZ   LYS  79          3HZ       LYS  79   4.210  21.978  15.464
  Start of MODEL   19
    1   1H    MET   1          1HT       MET   1 -17.414  17.172   2.644
    2   2H    MET   1          2HT       MET   1 -17.043  15.754   1.785
    3   3H    MET   1          3HT       MET   1 -17.749  17.075   0.984
    4    HA   MET   1           HA       MET   1 -15.373  16.943   0.487
    5   1HB   MET   1          2HB       MET   1 -16.825  19.062   0.788
    6   2HB   MET   1          1HB       MET   1 -15.982  19.264   2.325
    7   1HG   MET   1          2HG       MET   1 -13.806  19.107   1.046
    8   2HG   MET   1          1HG       MET   1 -14.751  19.176  -0.441
    9   1HE   MET   1          1HE       MET   1 -16.259  22.591  -0.629
   10   2HE   MET   1          2HE       MET   1 -16.940  20.998  -0.313
   11   3HE   MET   1          3HE       MET   1 -15.654  21.177  -1.504
   12    H    LYS   2           H        LYS   2 -13.584  15.955   1.322
   13    HA   LYS   2           HA       LYS   2 -12.903  16.422   4.204
   14   1HB   LYS   2          2HB       LYS   2 -13.420  13.945   2.667
   15   2HB   LYS   2          1HB       LYS   2 -12.004  13.897   3.720
   16   1HG   LYS   2          2HG       LYS   2 -13.894  15.115   5.330
   17   2HG   LYS   2          1HG       LYS   2 -14.859  13.954   4.423
   18   1HD   LYS   2          2HD       LYS   2 -12.899  12.299   5.013
   19   2HD   LYS   2          1HD       LYS   2 -12.574  13.460   6.299
   20   1HE   LYS   2          2HE       LYS   2 -15.426  12.776   6.058
   21   2HE   LYS   2          1HE       LYS   2 -14.391  11.395   6.467
   22   1HZ   LYS   2          1HZ       LYS   2 -13.342  12.732   8.189
   23   2HZ   LYS   2          2HZ       LYS   2 -15.015  12.622   8.461
   24   3HZ   LYS   2          3HZ       LYS   2 -14.348  14.045   7.814
   25    H    LYS   3           H        LYS   3 -11.897  17.547   1.550
   26    HA   LYS   3           HA       LYS   3  -9.329  16.445   0.935
   27   1HB   LYS   3          2HB       LYS   3 -11.017  18.398  -0.037
   28   2HB   LYS   3          1HB       LYS   3  -9.683  19.355   0.606
   29   1HG   LYS   3          2HG       LYS   3  -8.076  18.117  -0.725
   30   2HG   LYS   3          1HG       LYS   3  -9.328  16.998  -1.266
   31   1HD   LYS   3          2HD       LYS   3 -10.516  18.875  -2.363
   32   2HD   LYS   3          1HD       LYS   3  -9.230  19.971  -1.857
   33   1HE   LYS   3          2HE       LYS   3  -7.599  18.454  -3.099
   34   2HE   LYS   3          1HE       LYS   3  -9.020  17.648  -3.795
   35   1HZ   LYS   3          1HZ       LYS   3  -8.266  19.508  -5.181
   36   2HZ   LYS   3          2HZ       LYS   3  -8.498  20.575  -3.879
   37   3HZ   LYS   3          3HZ       LYS   3  -9.827  19.775  -4.572
   38    H    LYS   4           H        LYS   4  -7.581  18.638   1.143
   39    HA   LYS   4           HA       LYS   4  -7.393  19.302   4.010
   40   1HB   LYS   4          2HB       LYS   4  -5.279  17.863   2.370
   41   2HB   LYS   4          1HB       LYS   4  -5.067  18.405   4.034
   42   1HG   LYS   4          2HG       LYS   4  -7.241  17.002   4.480
   43   2HG   LYS   4          1HG       LYS   4  -6.790  16.186   2.981
   44   1HD   LYS   4          2HD       LYS   4  -5.792  14.979   4.834
   45   2HD   LYS   4          1HD       LYS   4  -4.505  15.804   3.954
   46   1HE   LYS   4          2HE       LYS   4  -4.282  17.481   5.621
   47   2HE   LYS   4          1HE       LYS   4  -5.849  17.075   6.351
   48   1HZ   LYS   4          1HZ       LYS   4  -5.009  14.917   6.953
   49   2HZ   LYS   4          2HZ       LYS   4  -3.962  16.101   7.577
   50   3HZ   LYS   4          3HZ       LYS   4  -3.528  15.225   6.186
   51    H    ASP   5           H        ASP   5  -4.531  20.177   3.472
   52    HA   ASP   5           HA       ASP   5  -5.198  22.771   2.213
   53   1HB   ASP   5          2HB       ASP   5  -3.226  21.611   4.089
   54   2HB   ASP   5          1HB       ASP   5  -2.592  22.881   3.042
   55    HA   PRO   6           HA       PRO   6  -3.082  21.871  -1.554
   56   1HB   PRO   6          2HB       PRO   6  -1.839  24.235  -2.142
   57   2HB   PRO   6          1HB       PRO   6  -3.594  24.008  -2.284
   58   1HG   PRO   6          2HG       PRO   6  -2.025  25.331  -0.131
   59   2HG   PRO   6          1HG       PRO   6  -3.588  25.781  -0.829
   60   1HD   PRO   6          2HD       PRO   6  -3.311  24.509   1.572
   61   2HD   PRO   6          1HD       PRO   6  -4.752  24.370   0.541
   62    H    ASN   7           H        ASN   7  -1.182  23.302   1.051
   63    HA   ASN   7           HA       ASN   7   1.338  22.198  -0.106
   64   1HB   ASN   7          2HB       ASN   7   2.383  23.670   1.597
   65   2HB   ASN   7          1HB       ASN   7   1.253  24.560   0.581
   66   1HD2  ASN   7          1HD2      ASN   7   2.169  24.404   3.717
   67   2HD2  ASN   7          2HD2      ASN   7   0.696  24.749   4.487
   68    H    ALA   8           H        ALA   8  -0.807  20.548   1.180
   69    HA   ALA   8           HA       ALA   8   0.523  19.620   3.680
   70   1HB   ALA   8          1HB       ALA   8  -2.147  19.088   2.348
   71   2HB   ALA   8          2HB       ALA   8  -1.853  20.037   3.805
   72   3HB   ALA   8          3HB       ALA   8  -1.633  18.287   3.833
   73    HA   PRO   9           HA       PRO   9   2.239  16.271   1.267
   74   1HB   PRO   9          2HB       PRO   9   3.134  14.703   3.323
   75   2HB   PRO   9          1HB       PRO   9   3.974  16.176   2.798
   76   1HG   PRO   9          2HG       PRO   9   2.160  15.758   5.117
   77   2HG   PRO   9          1HG       PRO   9   3.635  16.731   4.998
   78   1HD   PRO   9          2HD       PRO   9   1.115  17.782   4.904
   79   2HD   PRO   9          1HD       PRO   9   2.527  18.535   4.129
   80    H    LYS  10           H        LYS  10  -0.248  15.908   0.895
   81    HA   LYS  10           HA       LYS  10  -2.192  14.561   1.007
   82   1HB   LYS  10          2HB       LYS  10   0.243  13.345   0.145
   83   2HB   LYS  10          1HB       LYS  10  -0.745  12.103   0.900
   84   1HG   LYS  10          2HG       LYS  10  -1.280  12.261  -1.464
   85   2HG   LYS  10          1HG       LYS  10  -2.662  12.805  -0.523
   86   1HD   LYS  10          2HD       LYS  10  -2.346  15.035  -1.108
   87   2HD   LYS  10          1HD       LYS  10  -0.623  14.817  -1.414
   88   1HE   LYS  10          2HE       LYS  10  -2.520  13.303  -3.163
   89   2HE   LYS  10          1HE       LYS  10  -2.354  15.049  -3.439
   90   1HZ   LYS  10          1HZ       LYS  10   0.064  14.760  -3.429
   91   2HZ   LYS  10          2HZ       LYS  10  -0.664  13.863  -4.675
   92   3HZ   LYS  10          3HZ       LYS  10  -0.131  13.084  -3.262
   93    H    ARG  11           H        ARG  11  -2.389  11.847   1.897
   94    HA   ARG  11           HA       ARG  11  -2.477  12.263   4.863
   95   1HB   ARG  11          2HB       ARG  11  -4.104  10.754   2.826
   96   2HB   ARG  11          1HB       ARG  11  -4.152  10.261   4.519
   97   1HG   ARG  11          2HG       ARG  11  -5.913  11.808   4.386
   98   2HG   ARG  11          1HG       ARG  11  -4.579  12.789   4.994
   99   1HD   ARG  11          2HD       ARG  11  -4.392  13.984   3.035
  100   2HD   ARG  11          1HD       ARG  11  -4.837  12.591   2.028
  101    HE   ARG  11           HE       ARG  11  -6.947  13.744   3.768
  102   1HH1  ARG  11          1HH2      ARG  11  -6.038  15.402   1.303
  103   2HH1  ARG  11          2HH2      ARG  11  -7.237  14.916   0.152
  104   1HH2  ARG  11          1HH1      ARG  11  -8.299  12.189   2.012
  105   2HH2  ARG  11          2HH1      ARG  11  -8.517  13.096   0.552
  106    HA   PRO  12           HA       PRO  12   0.499   9.030   5.264
  107   1HB   PRO  12          2HB       PRO  12  -0.169   7.962   7.688
  108   2HB   PRO  12          1HB       PRO  12   0.644   9.529   7.506
  109   1HG   PRO  12          2HG       PRO  12  -2.215   8.931   8.047
  110   2HG   PRO  12          1HG       PRO  12  -1.189  10.234   8.661
  111   1HD   PRO  12          2HD       PRO  12  -3.025  10.555   6.659
  112   2HD   PRO  12          1HD       PRO  12  -1.586  11.577   6.863
  113    HA   PRO  13           HA       PRO  13  -2.136   5.600   3.910
  114   1HB   PRO  13          2HB       PRO  13  -0.285   4.411   2.295
  115   2HB   PRO  13          1HB       PRO  13  -1.236   5.818   1.790
  116   1HG   PRO  13          2HG       PRO  13   1.595   5.648   2.581
  117   2HG   PRO  13          1HG       PRO  13   0.785   6.800   1.514
  118   1HD   PRO  13          2HD       PRO  13   1.554   7.233   4.191
  119   2HD   PRO  13          1HD       PRO  13   0.524   8.282   3.198
  120    H    SER  14           H        SER  14  -1.707   3.106   3.945
  121    HA   SER  14           HA       SER  14   0.525   2.154   5.577
  122   1HB   SER  14          2HB       SER  14  -0.921   3.282   7.234
  123   2HB   SER  14          1HB       SER  14  -2.288   2.303   6.710
  124    HG   SER  14           HG       SER  14   0.078   1.517   8.039
  125    H    ALA  15           H        ALA  15   0.104   1.087   3.208
  126    HA   ALA  15           HA       ALA  15  -0.274  -0.932   2.094
  127   1HB   ALA  15          1HB       ALA  15   0.171  -2.631   3.514
  128   2HB   ALA  15          2HB       ALA  15  -1.441  -2.499   4.212
  129   3HB   ALA  15          3HB       ALA  15  -0.113  -1.547   4.874
  130    H    PHE  16           H        PHE  16  -2.928  -1.215   4.488
  131    HA   PHE  16           HA       PHE  16  -4.966  -1.986   2.769
  132   1HB   PHE  16          2HB       PHE  16  -4.847  -1.641   5.327
  133   2HB   PHE  16          1HB       PHE  16  -5.368   0.011   4.994
  134    HD1  PHE  16           1HD      PHE  16  -6.274  -3.379   3.646
  135    HD2  PHE  16           2HD      PHE  16  -7.648   0.321   5.341
  136    HE1  PHE  16           1HE      PHE  16  -8.620  -4.153   3.435
  137    HE2  PHE  16           2HE      PHE  16  -9.994  -0.453   5.130
  138    HZ   PHE  16           HZ       PHE  16 -10.480  -2.691   4.176
  139    H    PHE  17           H        PHE  17  -4.192   1.401   3.645
  140    HA   PHE  17           HA       PHE  17  -6.165   2.675   2.036
  141   1HB   PHE  17          2HB       PHE  17  -4.560   3.575   3.855
  142   2HB   PHE  17          1HB       PHE  17  -3.382   3.737   2.552
  143    HD1  PHE  17           1HD      PHE  17  -6.372   5.112   4.087
  144    HD2  PHE  17           2HD      PHE  17  -3.924   5.178   0.558
  145    HE1  PHE  17           1HE      PHE  17  -7.430   7.244   3.392
  146    HE2  PHE  17           2HE      PHE  17  -4.984   7.309  -0.137
  147    HZ   PHE  17           HZ       PHE  17  -6.736   8.343   1.281
  148    H    LEU  18           H        LEU  18  -2.901   1.511   1.240
  149    HA   LEU  18           HA       LEU  18  -2.824   2.664  -1.420
  150   1HB   LEU  18          2HB       LEU  18  -1.294   0.280  -0.330
  151   2HB   LEU  18          1HB       LEU  18  -0.792   1.361  -1.621
  152    HG   LEU  18           HG       LEU  18  -1.039   2.034   1.330
  153   1HD1  LEU  18          1HD1      LEU  18   1.398   2.560   1.011
  154   2HD1  LEU  18          2HD1      LEU  18   1.279   1.878  -0.611
  155   3HD1  LEU  18          3HD1      LEU  18   0.998   0.856   0.798
  156   1HD2  LEU  18          1HD2      LEU  18   0.079   4.239   0.336
  157   2HD2  LEU  18          2HD2      LEU  18  -1.676   4.071   0.385
  158   3HD2  LEU  18          3HD2      LEU  18  -0.803   3.764  -1.117
  159    H    PHE  19           H        PHE  19  -3.885  -0.432  -0.064
  160    HA   PHE  19           HA       PHE  19  -4.186  -1.742  -2.661
  161   1HB   PHE  19          2HB       PHE  19  -3.677  -2.871  -0.486
  162   2HB   PHE  19          1HB       PHE  19  -5.287  -2.429   0.083
  163    HD1  PHE  19           1HD      PHE  19  -3.414  -4.431  -2.415
  164    HD2  PHE  19           2HD      PHE  19  -7.248  -3.597  -0.666
  165    HE1  PHE  19           1HE      PHE  19  -4.359  -6.433  -3.533
  166    HE2  PHE  19           2HE      PHE  19  -8.193  -5.599  -1.784
  167    HZ   PHE  19           HZ       PHE  19  -6.748  -7.018  -3.217
  168    H    CYS  20           H        CYS  20  -6.535  -0.669  -0.167
  169    HA   CYS  20           HA       CYS  20  -8.905  -1.128  -1.651
  170   1HB   CYS  20          2HB       CYS  20  -8.475  -0.473   0.821
  171   2HB   CYS  20          1HB       CYS  20  -8.501   1.192   0.239
  172    HG   CYS  20           HG       CYS  20 -10.960   0.679   0.793
  173    H    SER  21           H        SER  21  -7.152   1.982  -1.276
  174    HA   SER  21           HA       SER  21  -8.706   3.546  -3.047
  175   1HB   SER  21          2HB       SER  21  -6.925   4.305  -1.460
  176   2HB   SER  21          1HB       SER  21  -5.713   3.655  -2.560
  177    HG   SER  21           HG       SER  21  -7.658   5.632  -3.188
  178    H    GLU  22           H        GLU  22  -6.366   1.048  -3.784
  179    HA   GLU  22           HA       GLU  22  -6.218   1.894  -6.634
  180   1HB   GLU  22          2HB       GLU  22  -4.690   0.117  -4.782
  181   2HB   GLU  22          1HB       GLU  22  -4.547  -0.141  -6.517
  182   1HG   GLU  22          2HG       GLU  22  -4.098   2.525  -5.143
  183   2HG   GLU  22          1HG       GLU  22  -2.807   1.418  -5.610
  184    H    TYR  23           H        TYR  23  -7.597  -0.589  -4.561
  185    HA   TYR  23           HA       TYR  23  -8.298  -2.291  -6.893
  186   1HB   TYR  23          2HB       TYR  23  -8.207  -2.519  -3.911
  187   2HB   TYR  23          1HB       TYR  23  -9.269  -3.613  -4.799
  188    HD1  TYR  23           1HD      TYR  23  -5.774  -2.247  -4.983
  189    HD2  TYR  23           2HD      TYR  23  -8.373  -5.614  -5.585
  190    HE1  TYR  23           1HE      TYR  23  -3.822  -3.643  -5.606
  191    HE2  TYR  23           2HE      TYR  23  -6.421  -7.010  -6.209
  192    HH   TYR  23           HH       TYR  23  -3.925  -6.985  -5.753
  193    H    ARG  24           H        ARG  24  -9.651   0.444  -5.825
  194    HA   ARG  24           HA       ARG  24 -12.412  -0.466  -5.446
  195   1HB   ARG  24          2HB       ARG  24 -10.908   2.125  -5.393
  196   2HB   ARG  24          1HB       ARG  24 -12.669   2.131  -5.514
  197   1HG   ARG  24          2HG       ARG  24 -12.952   1.071  -3.442
  198   2HG   ARG  24          1HG       ARG  24 -11.302   0.449  -3.429
  199   1HD   ARG  24          2HD       ARG  24 -10.390   2.508  -2.779
  200   2HD   ARG  24          1HD       ARG  24 -11.767   3.427  -3.416
  201    HE   ARG  24           HE       ARG  24 -12.765   1.691  -1.401
  202   1HH1  ARG  24          1HH1      ARG  24  -9.934   3.188  -0.791
  203   2HH1  ARG  24          2HH1      ARG  24 -10.532   4.339   0.357
  204   1HH2  ARG  24          1HH2      ARG  24 -13.868   3.697  -0.340
  205   2HH2  ARG  24          2HH2      ARG  24 -12.760   4.628   0.612
  206    HA   PRO  25           HA       PRO  25 -12.892   1.840  -9.658
  207   1HB   PRO  25          2HB       PRO  25 -10.691   1.965 -11.281
  208   2HB   PRO  25          1HB       PRO  25 -11.172   3.267 -10.175
  209   1HG   PRO  25          2HG       PRO  25  -9.083   1.178  -9.847
  210   2HG   PRO  25          1HG       PRO  25  -9.056   2.886  -9.383
  211   1HD   PRO  25          2HD       PRO  25  -9.473   0.885  -7.632
  212   2HD   PRO  25          1HD       PRO  25 -10.162   2.504  -7.406
  213    H    LYS  26           H        LYS  26 -10.984  -0.972  -9.035
  214    HA   LYS  26           HA       LYS  26 -11.360  -2.323 -11.587
  215   1HB   LYS  26          2HB       LYS  26  -9.637  -2.769  -9.747
  216   2HB   LYS  26          1HB       LYS  26 -10.957  -3.486  -8.817
  217   1HG   LYS  26          2HG       LYS  26 -10.478  -4.397 -11.639
  218   2HG   LYS  26          1HG       LYS  26  -9.459  -5.024 -10.343
  219   1HD   LYS  26          2HD       LYS  26 -11.700  -5.493  -9.110
  220   2HD   LYS  26          1HD       LYS  26 -12.436  -5.316 -10.702
  221   1HE   LYS  26          2HE       LYS  26 -10.659  -7.016 -11.513
  222   2HE   LYS  26          1HE       LYS  26 -10.423  -7.378  -9.791
  223   1HZ   LYS  26          1HZ       LYS  26 -12.783  -7.758  -9.559
  224   2HZ   LYS  26          2HZ       LYS  26 -12.170  -8.764 -10.783
  225   3HZ   LYS  26          3HZ       LYS  26 -13.048  -7.367 -11.188
  226    H    ILE  27           H        ILE  27 -12.872  -2.550  -8.368
  227    HA   ILE  27           HA       ILE  27 -14.909  -4.435  -8.867
  228    HB   ILE  27           HB       ILE  27 -15.091  -1.897  -7.199
  229   1HG1  ILE  27          2HG1      ILE  27 -13.044  -2.968  -6.516
  230   2HG1  ILE  27          1HG1      ILE  27 -14.259  -3.366  -5.315
  231   1HG2  ILE  27          1HG2      ILE  27 -16.526  -3.361  -5.749
  232   2HG2  ILE  27          2HG2      ILE  27 -16.454  -4.590  -7.011
  233   3HG2  ILE  27          3HG2      ILE  27 -17.206  -3.029  -7.342
  234   1HD1  ILE  27          1HD1      ILE  27 -13.164  -5.412  -5.748
  235   2HD1  ILE  27          2HD1      ILE  27 -13.146  -5.128  -7.490
  236   3HD1  ILE  27          3HD1      ILE  27 -14.664  -5.506  -6.673
  237    H    LYS  28           H        LYS  28 -14.761  -1.001  -9.597
  238    HA   LYS  28           HA       LYS  28 -17.560  -0.685 -10.238
  239   1HB   LYS  28          2HB       LYS  28 -15.468   1.096 -11.453
  240   2HB   LYS  28          1HB       LYS  28 -17.012   1.522 -10.730
  241   1HG   LYS  28          2HG       LYS  28 -14.415   0.879  -9.359
  242   2HG   LYS  28          1HG       LYS  28 -15.332   2.364  -9.267
  243   1HD   LYS  28          2HD       LYS  28 -16.108  -0.312  -8.056
  244   2HD   LYS  28          1HD       LYS  28 -15.577   1.123  -7.190
  245   1HE   LYS  28          2HE       LYS  28 -18.007   1.197  -9.001
  246   2HE   LYS  28          1HE       LYS  28 -18.126   0.736  -7.291
  247   1HZ   LYS  28          1HZ       LYS  28 -16.974   3.248  -8.381
  248   2HZ   LYS  28          2HZ       LYS  28 -16.872   2.782  -6.751
  249   3HZ   LYS  28          3HZ       LYS  28 -18.386   3.101  -7.454
  250    H    SER  29           H        SER  29 -14.681  -1.422 -12.174
  251    HA   SER  29           HA       SER  29 -15.800  -1.122 -14.775
  252   1HB   SER  29          2HB       SER  29 -13.390  -1.498 -14.068
  253   2HB   SER  29          1HB       SER  29 -13.792  -3.200 -13.859
  254    HG   SER  29           HG       SER  29 -13.933  -3.434 -15.968
  255    H    GLU  30           H        GLU  30 -16.208  -3.658 -12.383
  256    HA   GLU  30           HA       GLU  30 -17.764  -5.279 -14.373
  257   1HB   GLU  30          2HB       GLU  30 -15.812  -5.842 -12.241
  258   2HB   GLU  30          1HB       GLU  30 -17.233  -6.882 -12.185
  259   1HG   GLU  30          2HG       GLU  30 -15.769  -6.394 -14.776
  260   2HG   GLU  30          1HG       GLU  30 -15.243  -7.649 -13.654
  261    H    HIS  31           H        HIS  31 -17.892  -3.578 -11.322
  262    HA   HIS  31           HA       HIS  31 -20.723  -4.510 -10.951
  263   1HB   HIS  31          2HB       HIS  31 -18.800  -3.526  -8.817
  264   2HB   HIS  31          1HB       HIS  31 -20.360  -4.297  -8.567
  265    HD1  HIS  31           1HD      HIS  31 -16.787  -5.028  -9.254
  266    HD2  HIS  31           2HD      HIS  31 -20.377  -7.145  -9.129
  267    HE1  HIS  31           1HE      HIS  31 -16.169  -7.480  -9.232
  268    HA   PRO  32           HA       PRO  32 -20.927  -0.013 -11.721
  269   1HB   PRO  32          2HB       PRO  32 -23.425  -0.036 -12.832
  270   2HB   PRO  32          1HB       PRO  32 -21.953  -0.379 -13.753
  271   1HG   PRO  32          2HG       PRO  32 -23.992  -2.247 -12.696
  272   2HG   PRO  32          1HG       PRO  32 -23.030  -2.341 -14.179
  273   1HD   PRO  32          2HD       PRO  32 -22.520  -3.769 -11.877
  274   2HD   PRO  32          1HD       PRO  32 -21.326  -3.423 -13.146
  275    H    GLY  33           H        GLY  33 -23.285  -2.193 -10.277
  276   1HA   GLY  33          2HA       GLY  33 -24.718  -0.064  -8.878
  277   2HA   GLY  33          1HA       GLY  33 -24.964  -1.795  -8.671
  278    H    LEU  34           H        LEU  34 -21.849  -1.892  -8.297
  279    HA   LEU  34           HA       LEU  34 -21.790  -2.116  -5.469
  280   1HB   LEU  34          2HB       LEU  34 -20.024  -2.330  -7.739
  281   2HB   LEU  34          1HB       LEU  34 -19.187  -1.476  -6.451
  282    HG   LEU  34           HG       LEU  34 -18.871  -3.944  -6.332
  283   1HD1  LEU  34          1HD1      LEU  34 -18.519  -3.138  -4.228
  284   2HD1  LEU  34          2HD1      LEU  34 -20.004  -4.023  -3.878
  285   3HD1  LEU  34          3HD1      LEU  34 -20.062  -2.286  -4.182
  286   1HD2  LEU  34          1HD2      LEU  34 -20.599  -5.422  -6.349
  287   2HD2  LEU  34          2HD2      LEU  34 -21.551  -4.080  -6.985
  288   3HD2  LEU  34          3HD2      LEU  34 -21.573  -4.435  -5.259
  289    H    SER  35           H        SER  35 -22.841  -0.066  -4.769
  290    HA   SER  35           HA       SER  35 -21.623   2.524  -5.200
  291   1HB   SER  35          2HB       SER  35 -23.486   1.429  -3.067
  292   2HB   SER  35          1HB       SER  35 -23.139   3.141  -3.293
  293    HG   SER  35           HG       SER  35 -25.047   2.019  -4.413
  294    H    ILE  36           H        ILE  36 -20.795   3.814  -3.186
  295    HA   ILE  36           HA       ILE  36 -18.369   2.705  -2.224
  296    HB   ILE  36           HB       ILE  36 -20.164   4.971  -1.323
  297   1HG1  ILE  36          2HG1      ILE  36 -17.869   6.103  -2.119
  298   2HG1  ILE  36          1HG1      ILE  36 -17.738   4.599  -3.029
  299   1HG2  ILE  36          1HG2      ILE  36 -19.035   4.443   0.708
  300   2HG2  ILE  36          2HG2      ILE  36 -18.059   5.719  -0.022
  301   3HG2  ILE  36          3HG2      ILE  36 -17.541   4.037  -0.136
  302   1HD1  ILE  36          1HD1      ILE  36 -20.319   6.125  -3.087
  303   2HD1  ILE  36          2HD1      ILE  36 -19.636   5.042  -4.300
  304   3HD1  ILE  36          3HD1      ILE  36 -18.974   6.664  -4.093
  305    H    GLY  37           H        GLY  37 -21.643   2.467  -0.961
  306   1HA   GLY  37          2HA       GLY  37 -21.051   1.621   1.696
  307   2HA   GLY  37          1HA       GLY  37 -22.523   1.207   0.814
  308    H    ASP  38           H        ASP  38 -22.060  -0.486  -1.021
  309    HA   ASP  38           HA       ASP  38 -21.078  -2.897   0.240
  310   1HB   ASP  38          2HB       ASP  38 -22.892  -2.510  -1.571
  311   2HB   ASP  38          1HB       ASP  38 -21.548  -2.475  -2.713
  312    H    THR  39           H        THR  39 -19.682  -0.558  -2.002
  313    HA   THR  39           HA       THR  39 -17.441  -2.113  -2.907
  314    HB   THR  39           HB       THR  39 -17.887   0.862  -2.547
  315    HG1  THR  39           1HG      THR  39 -18.602   0.774  -4.592
  316   1HG2  THR  39          1HG2      THR  39 -15.521   0.589  -2.740
  317   2HG2  THR  39          2HG2      THR  39 -16.092   1.021  -4.351
  318   3HG2  THR  39          3HG2      THR  39 -15.699  -0.656  -3.975
  319    H    ALA  40           H        ALA  40 -18.021  -0.233   0.015
  320    HA   ALA  40           HA       ALA  40 -15.248  -0.229   0.913
  321   1HB   ALA  40          1HB       ALA  40 -16.785   1.483   1.646
  322   2HB   ALA  40          2HB       ALA  40 -16.396   0.504   3.061
  323   3HB   ALA  40          3HB       ALA  40 -17.934   0.277   2.227
  324    H    LYS  41           H        LYS  41 -18.148  -2.158   1.700
  325    HA   LYS  41           HA       LYS  41 -16.604  -3.890   3.509
  326   1HB   LYS  41          2HB       LYS  41 -18.782  -4.874   3.976
  327   2HB   LYS  41          1HB       LYS  41 -18.929  -3.119   3.966
  328   1HG   LYS  41          2HG       LYS  41 -19.605  -3.385   1.485
  329   2HG   LYS  41          1HG       LYS  41 -19.830  -5.089   1.864
  330   1HD   LYS  41          2HD       LYS  41 -21.963  -4.001   2.158
  331   2HD   LYS  41          1HD       LYS  41 -21.336  -4.385   3.761
  332   1HE   LYS  41          2HE       LYS  41 -20.281  -1.849   3.258
  333   2HE   LYS  41          1HE       LYS  41 -21.923  -1.766   2.591
  334   1HZ   LYS  41          1HZ       LYS  41 -21.192  -2.781   5.288
  335   2HZ   LYS  41          2HZ       LYS  41 -22.762  -2.753   4.640
  336   3HZ   LYS  41          3HZ       LYS  41 -21.947  -1.298   4.962
  337    H    LYS  42           H        LYS  42 -17.222  -3.866   0.129
  338    HA   LYS  42           HA       LYS  42 -17.317  -6.773  -0.233
  339   1HB   LYS  42          2HB       LYS  42 -18.415  -5.205  -1.774
  340   2HB   LYS  42          1HB       LYS  42 -16.871  -4.426  -2.114
  341   1HG   LYS  42          2HG       LYS  42 -17.429  -5.979  -3.918
  342   2HG   LYS  42          1HG       LYS  42 -16.025  -6.578  -3.036
  343   1HD   LYS  42          2HD       LYS  42 -17.111  -8.498  -2.586
  344   2HD   LYS  42          1HD       LYS  42 -18.369  -7.600  -1.740
  345   1HE   LYS  42          2HE       LYS  42 -19.745  -8.380  -3.391
  346   2HE   LYS  42          1HE       LYS  42 -18.991  -7.130  -4.402
  347   1HZ   LYS  42          1HZ       LYS  42 -17.230  -8.705  -4.957
  348   2HZ   LYS  42          2HZ       LYS  42 -18.748  -9.305  -5.428
  349   3HZ   LYS  42          3HZ       LYS  42 -17.990  -9.906  -4.030
  350    H    LEU  43           H        LEU  43 -14.941  -4.281  -1.256
  351    HA   LEU  43           HA       LEU  43 -12.807  -5.917  -2.000
  352   1HB   LEU  43          2HB       LEU  43 -12.959  -3.227  -0.630
  353   2HB   LEU  43          1HB       LEU  43 -11.427  -3.899  -1.190
  354    HG   LEU  43           HG       LEU  43 -13.782  -3.781  -3.055
  355   1HD1  LEU  43          1HD1      LEU  43 -11.779  -1.543  -2.643
  356   2HD1  LEU  43          2HD1      LEU  43 -13.436  -1.504  -2.040
  357   3HD1  LEU  43          3HD1      LEU  43 -13.130  -1.560  -3.777
  358   1HD2  LEU  43          1HD2      LEU  43 -10.804  -3.490  -3.532
  359   2HD2  LEU  43          2HD2      LEU  43 -12.053  -3.785  -4.740
  360   3HD2  LEU  43          3HD2      LEU  43 -11.645  -5.040  -3.570
  361    H    GLY  44           H        GLY  44 -13.930  -5.249   1.263
  362   1HA   GLY  44          2HA       GLY  44 -11.548  -6.031   2.671
  363   2HA   GLY  44          1HA       GLY  44 -13.176  -6.011   3.353
  364    H    GLU  45           H        GLU  45 -14.346  -7.820   1.439
  365    HA   GLU  45           HA       GLU  45 -14.025 -10.328   2.659
  366   1HB   GLU  45          2HB       GLU  45 -15.751  -9.405   0.964
  367   2HB   GLU  45          1HB       GLU  45 -14.628  -9.961  -0.278
  368   1HG   GLU  45          2HG       GLU  45 -14.670 -12.229   0.918
  369   2HG   GLU  45          1HG       GLU  45 -16.062 -11.613   1.808
  370    H    MET  46           H        MET  46 -12.176  -8.944  -0.036
  371    HA   MET  46           HA       MET  46 -10.677 -11.438  -0.507
  372   1HB   MET  46          2HB       MET  46 -10.405  -8.596  -1.543
  373   2HB   MET  46          1HB       MET  46  -9.537  -9.990  -2.185
  374   1HG   MET  46          2HG       MET  46 -11.853 -11.059  -2.528
  375   2HG   MET  46          1HG       MET  46 -12.505  -9.442  -2.269
  376   1HE   MET  46          1HE       MET  46 -11.134 -11.858  -5.017
  377   2HE   MET  46          2HE       MET  46 -12.129 -10.896  -6.106
  378   3HE   MET  46          3HE       MET  46 -12.779 -11.406  -4.551
  379    H    TRP  47           H        TRP  47 -10.049  -8.197   0.843
  380    HA   TRP  47           HA       TRP  47  -7.301  -8.342   1.370
  381   1HB   TRP  47          2HB       TRP  47  -8.846  -6.407   1.720
  382   2HB   TRP  47          1HB       TRP  47  -9.463  -7.202   3.168
  383    HD1  TRP  47           HD       TRP  47  -8.328  -6.442   5.301
  384    HE1  TRP  47           1HE      TRP  47  -6.010  -5.513   5.940
  385    HE3  TRP  47           3HE      TRP  47  -6.046  -6.550   0.734
  386    HZ2  TRP  47           2HZ      TRP  47  -3.516  -4.898   4.679
  387    HZ3  TRP  47           3HZ      TRP  47  -3.701  -5.789   0.481
  388    HH2  TRP  47           HH       TRP  47  -2.434  -4.964   2.446
  389    H    SER  48           H        SER  48  -9.960  -9.784   3.275
  390    HA   SER  48           HA       SER  48  -8.118 -10.742   5.361
  391   1HB   SER  48          2HB       SER  48 -10.560  -9.942   5.585
  392   2HB   SER  48          1HB       SER  48 -11.010 -11.494   4.886
  393    HG   SER  48           HG       SER  48 -10.081 -12.525   6.606
  394    H    GLU  49           H        GLU  49  -9.674 -11.959   2.450
  395    HA   GLU  49           HA       GLU  49  -9.483 -14.766   2.870
  396   1HB   GLU  49          2HB       GLU  49  -9.518 -12.886   0.535
  397   2HB   GLU  49          1HB       GLU  49  -9.159 -14.587   0.233
  398   1HG   GLU  49          2HG       GLU  49 -11.527 -13.799   1.919
  399   2HG   GLU  49          1HG       GLU  49 -11.646 -13.826   0.159
  400    H    GLN  50           H        GLN  50  -7.076 -12.433   1.673
  401    HA   GLN  50           HA       GLN  50  -5.036 -14.382   1.030
  402   1HB   GLN  50          2HB       GLN  50  -4.958 -11.426   1.722
  403   2HB   GLN  50          1HB       GLN  50  -3.595 -12.320   1.049
  404   1HG   GLN  50          2HG       GLN  50  -6.132 -12.649  -0.436
  405   2HG   GLN  50          1HG       GLN  50  -5.476 -11.012  -0.458
  406   1HE2  GLN  50          1HE2      GLN  50  -3.602 -14.070  -0.320
  407   2HE2  GLN  50          2HE2      GLN  50  -2.808 -13.830  -1.801
  408    H    SER  51           H        SER  51  -2.908 -14.452   2.284
  409    HA   SER  51           HA       SER  51  -3.200 -13.966   5.207
  410   1HB   SER  51          2HB       SER  51  -2.444 -16.642   4.001
  411   2HB   SER  51          1HB       SER  51  -2.707 -16.287   5.706
  412    HG   SER  51           HG       SER  51  -4.480 -17.034   3.894
  413    H    ALA  52           H        ALA  52  -1.448 -12.537   5.274
  414    HA   ALA  52           HA       ALA  52   0.798 -11.807   5.205
  415   1HB   ALA  52          1HB       ALA  52   1.270 -14.799   5.370
  416   2HB   ALA  52          2HB       ALA  52   0.802 -13.798   6.744
  417   3HB   ALA  52          3HB       ALA  52   2.349 -13.527   5.943
  418    H    LYS  53           H        LYS  53  -0.273 -11.911   2.637
  419    HA   LYS  53           HA       LYS  53   2.109 -12.740   1.039
  420   1HB   LYS  53          2HB       LYS  53  -0.096 -14.298   1.185
  421   2HB   LYS  53          1HB       LYS  53  -0.594 -13.218  -0.117
  422   1HG   LYS  53          2HG       LYS  53   1.624 -13.701  -1.238
  423   2HG   LYS  53          1HG       LYS  53   1.884 -14.954  -0.022
  424   1HD   LYS  53          2HD       LYS  53  -0.375 -15.913  -0.716
  425   2HD   LYS  53          1HD       LYS  53  -0.317 -14.812  -2.092
  426   1HE   LYS  53          2HE       LYS  53   0.642 -16.800  -2.953
  427   2HE   LYS  53          1HE       LYS  53   2.066 -15.847  -2.489
  428   1HZ   LYS  53          1HZ       LYS  53   0.691 -17.844  -0.769
  429   2HZ   LYS  53          2HZ       LYS  53   2.047 -16.921  -0.327
  430   3HZ   LYS  53          3HZ       LYS  53   2.172 -18.086  -1.558
  431    H    ASP  54           H        ASP  54  -1.159 -11.396   0.406
  432    HA   ASP  54           HA       ASP  54  -0.282  -9.552  -1.607
  433   1HB   ASP  54          2HB       ASP  54  -2.610 -10.497  -1.081
  434   2HB   ASP  54          1HB       ASP  54  -2.705  -9.268   0.182
  435    H    LYS  55           H        LYS  55  -0.356  -9.328   1.894
  436    HA   LYS  55           HA       LYS  55  -0.149  -6.409   1.982
  437   1HB   LYS  55          2HB       LYS  55   0.232  -8.644   3.997
  438   2HB   LYS  55          1HB       LYS  55   0.269  -6.931   4.417
  439   1HG   LYS  55          2HG       LYS  55  -1.994  -6.652   4.066
  440   2HG   LYS  55          1HG       LYS  55  -2.065  -7.913   2.836
  441   1HD   LYS  55          2HD       LYS  55  -3.190  -8.833   4.717
  442   2HD   LYS  55          1HD       LYS  55  -1.586  -9.570   4.741
  443   1HE   LYS  55          2HE       LYS  55  -0.830  -7.916   6.409
  444   2HE   LYS  55          1HE       LYS  55  -2.432  -7.151   6.379
  445   1HZ   LYS  55          1HZ       LYS  55  -3.424  -9.252   7.014
  446   2HZ   LYS  55          2HZ       LYS  55  -2.262  -8.794   8.165
  447   3HZ   LYS  55          3HZ       LYS  55  -1.904 -10.005   7.027
  448    H    GLN  56           H        GLN  56   2.092  -9.154   2.161
  449    HA   GLN  56           HA       GLN  56   4.447  -8.047   3.122
  450   1HB   GLN  56          2HB       GLN  56   3.655 -10.129   1.182
  451   2HB   GLN  56          1HB       GLN  56   5.323  -9.580   1.024
  452   1HG   GLN  56          2HG       GLN  56   4.125 -10.361   3.688
  453   2HG   GLN  56          1HG       GLN  56   4.933 -11.525   2.638
  454   1HE2  GLN  56          1HE2      GLN  56   5.448  -8.723   4.727
  455   2HE2  GLN  56          2HE2      GLN  56   7.144  -8.796   4.713
  456    HA   PRO  57           HA       PRO  57   5.647  -6.162  -1.076
  457   1HB   PRO  57          2HB       PRO  57   3.867  -6.156  -3.136
  458   2HB   PRO  57          1HB       PRO  57   4.981  -7.505  -2.834
  459   1HG   PRO  57          2HG       PRO  57   2.096  -7.260  -2.220
  460   2HG   PRO  57          1HG       PRO  57   3.022  -8.677  -2.728
  461   1HD   PRO  57          2HD       PRO  57   2.217  -8.163  -0.141
  462   2HD   PRO  57          1HD       PRO  57   3.570  -9.222  -0.590
  463    H    TYR  58           H        TYR  58   2.142  -5.806  -0.526
  464    HA   TYR  58           HA       TYR  58   2.123  -2.980  -1.250
  465   1HB   TYR  58          2HB       TYR  58   0.295  -5.125  -0.817
  466   2HB   TYR  58          1HB       TYR  58  -0.179  -3.823   0.266
  467    HD1  TYR  58           1HD      TYR  58  -0.220  -5.032  -3.109
  468    HD2  TYR  58           2HD      TYR  58  -0.391  -1.451  -0.743
  469    HE1  TYR  58           1HE      TYR  58  -1.212  -3.813  -5.027
  470    HE2  TYR  58           2HE      TYR  58  -1.384  -0.233  -2.662
  471    HH   TYR  58           HH       TYR  58  -1.228  -1.143  -5.695
  472    H    GLU  59           H        GLU  59   3.455  -4.356   1.457
  473    HA   GLU  59           HA       GLU  59   2.366  -2.312   3.340
  474   1HB   GLU  59          2HB       GLU  59   3.460  -3.695   5.051
  475   2HB   GLU  59          1HB       GLU  59   2.450  -4.697   4.016
  476   1HG   GLU  59          2HG       GLU  59   4.237  -5.977   3.523
  477   2HG   GLU  59          1HG       GLU  59   5.032  -4.577   2.805
  478    H    GLN  60           H        GLN  60   5.169  -2.982   1.392
  479    HA   GLN  60           HA       GLN  60   7.034  -1.382   2.978
  480   1HB   GLN  60          2HB       GLN  60   8.543  -1.873   1.118
  481   2HB   GLN  60          1HB       GLN  60   7.645  -3.330   1.526
  482   1HG   GLN  60          2HG       GLN  60   5.970  -2.420  -0.322
  483   2HG   GLN  60          1HG       GLN  60   7.404  -1.565  -0.884
  484   1HE2  GLN  60          1HE2      GLN  60   9.378  -3.546  -0.190
  485   2HE2  GLN  60          2HE2      GLN  60   9.132  -4.902  -1.181
  486    H    LYS  61           H        LYS  61   4.802  -0.834   0.322
  487    HA   LYS  61           HA       LYS  61   5.832   1.612  -0.724
  488   1HB   LYS  61          2HB       LYS  61   4.028   0.182  -1.691
  489   2HB   LYS  61          1HB       LYS  61   2.952   0.705  -0.395
  490   1HG   LYS  61          2HG       LYS  61   2.944   2.952  -1.161
  491   2HG   LYS  61          1HG       LYS  61   4.340   2.684  -2.206
  492   1HD   LYS  61          2HD       LYS  61   2.819   0.924  -3.385
  493   2HD   LYS  61          1HD       LYS  61   1.494   1.780  -2.593
  494   1HE   LYS  61          2HE       LYS  61   3.581   3.281  -4.188
  495   2HE   LYS  61          1HE       LYS  61   2.141   2.591  -4.962
  496   1HZ   LYS  61          1HZ       LYS  61   0.769   3.723  -3.311
  497   2HZ   LYS  61          2HZ       LYS  61   1.691   4.838  -4.201
  498   3HZ   LYS  61          3HZ       LYS  61   2.150   4.421  -2.618
  499    H    ALA  62           H        ALA  62   3.609   0.989   1.996
  500    HA   ALA  62           HA       ALA  62   3.092   3.765   2.612
  501   1HB   ALA  62          1HB       ALA  62   2.630   1.074   3.752
  502   2HB   ALA  62          2HB       ALA  62   1.523   2.439   3.611
  503   3HB   ALA  62          3HB       ALA  62   2.683   2.379   4.938
  504    H    ALA  63           H        ALA  63   5.910   1.841   3.048
  505    HA   ALA  63           HA       ALA  63   6.843   3.289   5.452
  506   1HB   ALA  63          1HB       ALA  63   7.176   0.812   4.914
  507   2HB   ALA  63          2HB       ALA  63   8.634   1.694   5.369
  508   3HB   ALA  63          3HB       ALA  63   8.316   1.331   3.673
  509    H    LYS  64           H        LYS  64   6.580   4.194   2.306
  510    HA   LYS  64           HA       LYS  64   9.268   5.497   2.157
  511   1HB   LYS  64          2HB       LYS  64   7.099   4.799   0.159
  512   2HB   LYS  64          1HB       LYS  64   8.448   5.856  -0.255
  513   1HG   LYS  64          2HG       LYS  64   8.802   3.074   0.892
  514   2HG   LYS  64          1HG       LYS  64   8.812   3.421  -0.838
  515   1HD   LYS  64          2HD       LYS  64  10.662   5.085  -0.409
  516   2HD   LYS  64          1HD       LYS  64  10.728   4.490   1.251
  517   1HE   LYS  64          2HE       LYS  64  11.431   2.319   0.562
  518   2HE   LYS  64          1HE       LYS  64  10.978   2.628  -1.127
  519   1HZ   LYS  64          1HZ       LYS  64  12.633   4.352  -1.257
  520   2HZ   LYS  64          2HZ       LYS  64  13.379   2.920  -0.731
  521   3HZ   LYS  64          3HZ       LYS  64  13.034   4.158   0.380
  522    H    LEU  65           H        LEU  65   5.783   6.029   2.051
  523    HA   LEU  65           HA       LEU  65   5.943   8.918   1.692
  524   1HB   LEU  65          2HB       LEU  65   3.890   6.806   2.182
  525   2HB   LEU  65          1HB       LEU  65   3.438   8.470   2.549
  526    HG   LEU  65           HG       LEU  65   4.354   9.056   0.218
  527   1HD1  LEU  65          1HD1      LEU  65   4.119   6.041  -0.008
  528   2HD1  LEU  65          2HD1      LEU  65   5.587   6.998  -0.203
  529   3HD1  LEU  65          3HD1      LEU  65   4.284   7.132  -1.384
  530   1HD2  LEU  65          1HD2      LEU  65   2.221   8.811  -0.679
  531   2HD2  LEU  65          2HD2      LEU  65   1.873   8.605   1.038
  532   3HD2  LEU  65          3HD2      LEU  65   2.015   7.192  -0.009
  533    H    LYS  66           H        LYS  66   6.745   7.031   4.353
  534    HA   LYS  66           HA       LYS  66   5.573   8.810   6.404
  535   1HB   LYS  66          2HB       LYS  66   5.821   6.239   6.473
  536   2HB   LYS  66          1HB       LYS  66   7.536   6.537   6.762
  537   1HG   LYS  66          2HG       LYS  66   7.161   7.498   8.843
  538   2HG   LYS  66          1HG       LYS  66   5.518   7.993   8.433
  539   1HD   LYS  66          2HD       LYS  66   4.647   5.836   8.763
  540   2HD   LYS  66          1HD       LYS  66   6.229   5.072   8.599
  541   1HE   LYS  66          2HE       LYS  66   5.753   7.013  10.854
  542   2HE   LYS  66          1HE       LYS  66   5.213   5.329  11.003
  543   1HZ   LYS  66          1HZ       LYS  66   7.947   6.180  10.206
  544   2HZ   LYS  66          2HZ       LYS  66   7.414   4.579  10.403
  545   3HZ   LYS  66          3HZ       LYS  66   7.519   5.613  11.747
  546    H    GLU  67           H        GLU  67   8.572   8.334   4.651
  547    HA   GLU  67           HA       GLU  67  10.222   9.836   6.569
  548   1HB   GLU  67          2HB       GLU  67  10.514   8.417   3.953
  549   2HB   GLU  67          1HB       GLU  67  11.735   9.621   4.369
  550   1HG   GLU  67          2HG       GLU  67  12.078   8.478   6.553
  551   2HG   GLU  67          1HG       GLU  67  10.925   7.238   6.059
  552    H    LYS  68           H        LYS  68   8.121  10.595   3.917
  553    HA   LYS  68           HA       LYS  68   9.418  13.246   3.479
  554   1HB   LYS  68          2HB       LYS  68   7.658  11.370   1.984
  555   2HB   LYS  68          1HB       LYS  68   7.387  13.089   1.692
  556   1HG   LYS  68          2HG       LYS  68   9.031  12.574   0.105
  557   2HG   LYS  68          1HG       LYS  68   9.990  13.194   1.448
  558   1HD   LYS  68          2HD       LYS  68  11.088  11.188   0.841
  559   2HD   LYS  68          1HD       LYS  68  10.117  10.738   2.243
  560   1HE   LYS  68          2HE       LYS  68   8.396   9.773   0.823
  561   2HE   LYS  68          1HE       LYS  68   9.214  10.369  -0.636
  562   1HZ   LYS  68          1HZ       LYS  68   9.824   8.069  -0.194
  563   2HZ   LYS  68          2HZ       LYS  68  10.369   8.489   1.359
  564   3HZ   LYS  68          3HZ       LYS  68  11.171   9.084  -0.017
  565    H    TYR  69           H        TYR  69   6.540  11.696   4.769
  566    HA   TYR  69           HA       TYR  69   4.941  14.137   4.969
  567   1HB   TYR  69          2HB       TYR  69   4.047  11.813   4.754
  568   2HB   TYR  69          1HB       TYR  69   4.721  11.430   6.336
  569    HD1  TYR  69           1HD      TYR  69   1.901  12.745   4.581
  570    HD2  TYR  69           2HD      TYR  69   3.981  12.923   8.333
  571    HE1  TYR  69           1HE      TYR  69  -0.135  13.658   5.664
  572    HE2  TYR  69           2HE      TYR  69   1.947  13.836   9.418
  573    HH   TYR  69           HH       TYR  69  -0.664  13.671   8.859
  574    H    GLU  70           H        GLU  70   6.632  12.043   7.316
  575    HA   GLU  70           HA       GLU  70   6.182  13.622   9.641
  576   1HB   GLU  70          2HB       GLU  70   8.199  11.578   8.750
  577   2HB   GLU  70          1HB       GLU  70   8.390  12.365  10.316
  578   1HG   GLU  70          2HG       GLU  70   5.900  11.742  10.696
  579   2HG   GLU  70          1HG       GLU  70   6.130  10.617   9.357
  580    H    LYS  71           H        LYS  71   8.281  14.269   6.940
  581    HA   LYS  71           HA       LYS  71   9.888  16.189   8.573
  582   1HB   LYS  71          2HB       LYS  71  10.239  14.833   5.887
  583   2HB   LYS  71          1HB       LYS  71  11.302  16.127   6.439
  584   1HG   LYS  71          2HG       LYS  71  11.801  14.792   8.489
  585   2HG   LYS  71          1HG       LYS  71  10.827  13.476   7.831
  586   1HD   LYS  71          2HD       LYS  71  12.354  13.684   5.739
  587   2HD   LYS  71          1HD       LYS  71  13.441  14.572   6.808
  588   1HE   LYS  71          2HE       LYS  71  13.627  12.680   8.310
  589   2HE   LYS  71          1HE       LYS  71  12.361  11.800   7.430
  590   1HZ   LYS  71          1HZ       LYS  71  13.702  11.791   5.468
  591   2HZ   LYS  71          2HZ       LYS  71  14.649  11.183   6.741
  592   3HZ   LYS  71          3HZ       LYS  71  14.879  12.774   6.191
  593    H    ASP  72           H        ASP  72   7.672  15.893   5.843
  594    HA   ASP  72           HA       ASP  72   7.952  18.718   5.057
  595   1HB   ASP  72          2HB       ASP  72   7.557  16.740   3.523
  596   2HB   ASP  72          1HB       ASP  72   5.932  16.625   4.201
  597    H    ILE  73           H        ILE  73   5.715  16.705   6.926
  598    HA   ILE  73           HA       ILE  73   3.546  18.591   7.056
  599    HB   ILE  73           HB       ILE  73   3.530  16.108   7.565
  600   1HG1  ILE  73          2HG1      ILE  73   2.043  16.443   9.668
  601   2HG1  ILE  73          1HG1      ILE  73   2.383  18.160   9.449
  602   1HG2  ILE  73          1HG2      ILE  73   4.315  15.273   9.640
  603   2HG2  ILE  73          2HG2      ILE  73   4.517  16.892  10.310
  604   3HG2  ILE  73          3HG2      ILE  73   5.621  16.310   9.065
  605   1HD1  ILE  73          1HD1      ILE  73   1.296  16.376   7.254
  606   2HD1  ILE  73          2HD1      ILE  73   1.457  18.131   7.217
  607   3HD1  ILE  73          3HD1      ILE  73   0.282  17.376   8.293
  608    H    ALA  74           H        ALA  74   6.538  18.237   8.861
  609    HA   ALA  74           HA       ALA  74   6.080  19.706  11.203
  610   1HB   ALA  74          1HB       ALA  74   8.451  19.598   9.318
  611   2HB   ALA  74          2HB       ALA  74   8.171  18.596  10.742
  612   3HB   ALA  74          3HB       ALA  74   8.533  20.312  10.929
  613    H    ALA  75           H        ALA  75   6.519  20.928   7.911
  614    HA   ALA  75           HA       ALA  75   6.725  23.736   8.679
  615   1HB   ALA  75          1HB       ALA  75   6.079  22.330   6.066
  616   2HB   ALA  75          2HB       ALA  75   7.683  22.816   6.613
  617   3HB   ALA  75          3HB       ALA  75   6.478  24.041   6.217
  618    H    TYR  76           H        TYR  76   4.108  21.551   8.609
  619    HA   TYR  76           HA       TYR  76   2.105  23.699   8.066
  620   1HB   TYR  76          2HB       TYR  76   2.104  21.525   6.789
  621   2HB   TYR  76          1HB       TYR  76   1.783  20.691   8.309
  622    HD1  TYR  76           1HD      TYR  76   0.474  23.438   6.128
  623    HD2  TYR  76           2HD      TYR  76  -0.423  20.451   9.082
  624    HE1  TYR  76           1HE      TYR  76  -1.945  23.925   5.885
  625    HE2  TYR  76           2HE      TYR  76  -2.843  20.938   8.839
  626    HH   TYR  76           HH       TYR  76  -4.285  22.045   6.666
  627    H    ARG  77           H        ARG  77   3.680  22.249  10.671
  628    HA   ARG  77           HA       ARG  77   1.315  22.638  12.477
  629   1HB   ARG  77          2HB       ARG  77   3.559  20.654  12.330
  630   2HB   ARG  77          1HB       ARG  77   2.856  21.021  13.906
  631   1HG   ARG  77          2HG       ARG  77   0.586  20.546  12.918
  632   2HG   ARG  77          1HG       ARG  77   1.403  19.986  11.458
  633   1HD   ARG  77          2HD       ARG  77   2.229  18.077  12.488
  634   2HD   ARG  77          1HD       ARG  77   2.272  18.838  14.092
  635    HE   ARG  77           HE       ARG  77  -0.355  18.287  12.782
  636   1HH1  ARG  77          1HH1      ARG  77  -0.089  19.439  15.568
  637   2HH1  ARG  77          2HH1      ARG  77  -0.330  18.031  16.550
  638   1HH2  ARG  77          1HH2      ARG  77   0.193  15.802  13.946
  639   2HH2  ARG  77          2HH2      ARG  77  -0.170  15.973  15.631
  640    H    ALA  78           H        ALA  78   4.743  23.309  11.939
  641    HA   ALA  78           HA       ALA  78   6.242  24.768  13.034
  642   1HB   ALA  78          1HB       ALA  78   5.222  26.873  13.640
  643   2HB   ALA  78          2HB       ALA  78   3.657  26.101  13.891
  644   3HB   ALA  78          3HB       ALA  78   4.323  26.236  12.263
  645    H    LYS  79           H        LYS  79   6.610  22.862  14.577
  646    HA   LYS  79           HA       LYS  79   5.574  23.457  17.326
  647   1HB   LYS  79          2HB       LYS  79   6.101  21.057  17.732
  648   2HB   LYS  79          1HB       LYS  79   4.968  21.265  16.398
  649   1HG   LYS  79          2HG       LYS  79   7.719  21.368  15.451
  650   2HG   LYS  79          1HG       LYS  79   7.412  19.871  16.329
  651   1HD   LYS  79          2HD       LYS  79   5.469  20.862  14.248
  652   2HD   LYS  79          1HD       LYS  79   6.887  19.921  13.786
  653   1HE   LYS  79          2HE       LYS  79   6.085  18.261  15.655
  654   2HE   LYS  79          1HE       LYS  79   4.519  19.070  15.442
  655   1HZ   LYS  79          1HZ       LYS  79   4.738  17.228  13.892
  656   2HZ   LYS  79          2HZ       LYS  79   6.176  17.889  13.274
  657   3HZ   LYS  79          3HZ       LYS  79   4.701  18.702  13.054
  Start of MODEL   20
    1   1H    MET   1          1HT       MET   1 -10.395  18.455  -1.816
    2   2H    MET   1          2HT       MET   1 -11.329  17.067  -1.517
    3   3H    MET   1          3HT       MET   1 -11.800  18.168  -2.722
    4    HA   MET   1           HA       MET   1 -10.767  16.156  -3.671
    5   1HB   MET   1          2HB       MET   1 -10.585  18.780  -4.329
    6   2HB   MET   1          1HB       MET   1  -8.871  18.390  -4.174
    7   1HG   MET   1          2HG       MET   1  -9.074  16.586  -5.779
    8   2HG   MET   1          1HG       MET   1 -10.826  16.778  -5.836
    9   1HE   MET   1          1HE       MET   1  -7.399  18.370  -6.395
   10   2HE   MET   1          2HE       MET   1  -8.205  19.686  -5.545
   11   3HE   MET   1          3HE       MET   1  -7.740  19.891  -7.232
   12    H    LYS   2           H        LYS   2  -8.404  15.446  -4.269
   13    HA   LYS   2           HA       LYS   2  -6.980  14.901  -1.736
   14   1HB   LYS   2          2HB       LYS   2  -7.203  13.811  -4.473
   15   2HB   LYS   2          1HB       LYS   2  -5.601  13.665  -3.749
   16   1HG   LYS   2          2HG       LYS   2  -7.271  12.939  -1.662
   17   2HG   LYS   2          1HG       LYS   2  -8.095  12.270  -3.067
   18   1HD   LYS   2          2HD       LYS   2  -5.687  11.431  -3.719
   19   2HD   LYS   2          1HD       LYS   2  -5.365  11.646  -2.000
   20   1HE   LYS   2          2HE       LYS   2  -7.903  10.254  -2.543
   21   2HE   LYS   2          1HE       LYS   2  -6.465   9.383  -3.113
   22   1HZ   LYS   2          1HZ       LYS   2  -5.428   9.759  -0.956
   23   2HZ   LYS   2          2HZ       LYS   2  -6.883   8.899  -0.779
   24   3HZ   LYS   2          3HZ       LYS   2  -6.821  10.555  -0.405
   25    H    LYS   3           H        LYS   3  -4.425  14.872  -2.104
   26    HA   LYS   3           HA       LYS   3  -2.481  16.204  -2.268
   27   1HB   LYS   3          2HB       LYS   3  -3.524  15.726  -4.735
   28   2HB   LYS   3          1HB       LYS   3  -3.513  17.490  -4.737
   29   1HG   LYS   3          2HG       LYS   3  -1.066  17.138  -3.765
   30   2HG   LYS   3          1HG       LYS   3  -1.213  15.583  -4.583
   31   1HD   LYS   3          2HD       LYS   3  -1.834  18.202  -5.960
   32   2HD   LYS   3          1HD       LYS   3  -0.224  17.482  -5.977
   33   1HE   LYS   3          2HE       LYS   3  -0.969  15.568  -7.179
   34   2HE   LYS   3          1HE       LYS   3  -2.675  15.922  -6.836
   35   1HZ   LYS   3          1HZ       LYS   3  -2.019  16.653  -9.073
   36   2HZ   LYS   3          2HZ       LYS   3  -0.847  17.676  -8.392
   37   3HZ   LYS   3          3HZ       LYS   3  -2.497  17.956  -8.098
   38    H    LYS   4           H        LYS   4  -2.833  17.653  -0.513
   39    HA   LYS   4           HA       LYS   4  -4.580  19.893  -0.487
   40   1HB   LYS   4          2HB       LYS   4  -2.027  19.117   0.911
   41   2HB   LYS   4          1HB       LYS   4  -2.774  20.682   1.237
   42   1HG   LYS   4          2HG       LYS   4  -4.894  19.541   1.817
   43   2HG   LYS   4          1HG       LYS   4  -4.125  17.981   1.524
   44   1HD   LYS   4          2HD       LYS   4  -2.516  18.391   3.310
   45   2HD   LYS   4          1HD       LYS   4  -3.166  20.011   3.561
   46   1HE   LYS   4          2HE       LYS   4  -5.014  17.641   3.743
   47   2HE   LYS   4          1HE       LYS   4  -3.991  18.071   5.128
   48   1HZ   LYS   4          1HZ       LYS   4  -6.086  19.278   5.208
   49   2HZ   LYS   4          2HZ       LYS   4  -5.801  19.921   3.662
   50   3HZ   LYS   4          3HZ       LYS   4  -4.795  20.350   4.963
   51    H    ASP   5           H        ASP   5  -1.022  20.170  -0.704
   52    HA   ASP   5           HA       ASP   5  -1.404  22.464  -2.603
   53   1HB   ASP   5          2HB       ASP   5   0.365  21.937  -0.238
   54   2HB   ASP   5          1HB       ASP   5   0.952  23.009  -1.509
   55    HA   PRO   6           HA       PRO   6   1.227  20.379  -5.458
   56   1HB   PRO   6          2HB       PRO   6   2.792  22.380  -6.470
   57   2HB   PRO   6          1HB       PRO   6   1.072  22.202  -6.869
   58   1HG   PRO   6          2HG       PRO   6   2.387  24.052  -4.946
   59   2HG   PRO   6          1HG       PRO   6   1.018  24.337  -6.032
   60   1HD   PRO   6          2HD       PRO   6   0.752  23.862  -3.358
   61   2HD   PRO   6          1HD       PRO   6  -0.500  23.471  -4.558
   62    H    ASN   7           H        ASN   7   2.712  22.222  -2.886
   63    HA   ASN   7           HA       ASN   7   5.326  20.831  -3.299
   64   1HB   ASN   7          2HB       ASN   7   5.028  23.383  -3.072
   65   2HB   ASN   7          1HB       ASN   7   4.665  23.069  -1.375
   66   1HD2  ASN   7          1HD2      ASN   7   6.568  23.741  -0.318
   67   2HD2  ASN   7          2HD2      ASN   7   8.120  23.166  -0.694
   68    H    ALA   8           H        ALA   8   2.563  21.077  -1.156
   69    HA   ALA   8           HA       ALA   8   3.852  19.747   1.114
   70   1HB   ALA   8          1HB       ALA   8   0.889  20.014   0.629
   71   2HB   ALA   8          2HB       ALA   8   1.862  21.439   0.993
   72   3HB   ALA   8          3HB       ALA   8   1.768  20.116   2.155
   73    HA   PRO   9           HA       PRO   9   3.102  15.662  -0.473
   74   1HB   PRO   9          2HB       PRO   9   3.409  14.225   1.831
   75   2HB   PRO   9          1HB       PRO   9   4.778  14.915   0.939
   76   1HG   PRO   9          2HG       PRO   9   3.435  15.898   3.400
   77   2HG   PRO   9          1HG       PRO   9   5.149  15.930   2.958
   78   1HD   PRO   9          2HD       PRO   9   3.479  18.097   2.792
   79   2HD   PRO   9          1HD       PRO   9   4.946  17.891   1.810
   80    H    LYS  10           H        LYS  10   1.229  14.443  -0.737
   81    HA   LYS  10           HA       LYS  10  -1.246  15.265   0.411
   82   1HB   LYS  10          2HB       LYS  10  -2.081  13.189  -0.685
   83   2HB   LYS  10          1HB       LYS  10  -1.010  14.108  -1.742
   84   1HG   LYS  10          2HG       LYS  10   0.563  12.281  -0.149
   85   2HG   LYS  10          1HG       LYS  10  -0.741  11.395  -0.936
   86   1HD   LYS  10          2HD       LYS  10  -0.086  12.458  -3.108
   87   2HD   LYS  10          1HD       LYS  10   1.296  13.188  -2.288
   88   1HE   LYS  10          2HE       LYS  10   2.296  11.065  -1.852
   89   2HE   LYS  10          1HE       LYS  10   0.801  10.197  -2.254
   90   1HZ   LYS  10          1HZ       LYS  10   2.352  11.895  -4.137
   91   2HZ   LYS  10          2HZ       LYS  10   0.940  11.024  -4.506
   92   3HZ   LYS  10          3HZ       LYS  10   2.374  10.199  -4.117
   93    H    ARG  11           H        ARG  11  -2.561  12.971   1.279
   94    HA   ARG  11           HA       ARG  11  -1.695  12.757   4.030
   95   1HB   ARG  11          2HB       ARG  11  -3.842  11.747   2.246
   96   2HB   ARG  11          1HB       ARG  11  -3.505  10.751   3.663
   97   1HG   ARG  11          2HG       ARG  11  -5.135  12.299   4.412
   98   2HG   ARG  11          1HG       ARG  11  -3.608  12.955   5.004
   99   1HD   ARG  11          2HD       ARG  11  -3.497  14.450   3.011
  100   2HD   ARG  11          1HD       ARG  11  -5.081  13.836   2.494
  101    HE   ARG  11           HE       ARG  11  -4.581  15.534   4.868
  102   1HH1  ARG  11          1HH2      ARG  11  -6.696  15.793   2.609
  103   2HH1  ARG  11          2HH2      ARG  11  -8.136  15.422   3.498
  104   1HH2  ARG  11          1HH1      ARG  11  -6.438  14.078   6.206
  105   2HH2  ARG  11          2HH1      ARG  11  -7.990  14.452   5.534
  106    HA   PRO  12           HA       PRO  12   1.080   9.345   3.492
  107   1HB   PRO  12          2HB       PRO  12   1.193   8.426   6.062
  108   2HB   PRO  12          1HB       PRO  12   2.007   9.910   5.532
  109   1HG   PRO  12          2HG       PRO  12  -0.516   9.579   7.052
  110   2HG   PRO  12          1HG       PRO  12   0.726  10.832   7.173
  111   1HD   PRO  12          2HD       PRO  12  -1.695  11.137   5.888
  112   2HD   PRO  12          1HD       PRO  12  -0.248  12.120   5.576
  113    HA   PRO  13           HA       PRO  13  -1.995   6.082   3.253
  114   1HB   PRO  13          2HB       PRO  13  -0.551   4.337   1.730
  115   2HB   PRO  13          1HB       PRO  13  -1.347   5.773   1.059
  116   1HG   PRO  13          2HG       PRO  13   1.508   5.284   1.602
  117   2HG   PRO  13          1HG       PRO  13   0.747   6.335   0.401
  118   1HD   PRO  13          2HD       PRO  13   1.893   7.130   2.841
  119   2HD   PRO  13          1HD       PRO  13   0.885   8.127   1.773
  120    H    SER  14           H        SER  14  -1.683   3.462   3.479
  121    HA   SER  14           HA       SER  14   0.460   2.605   5.259
  122   1HB   SER  14          2HB       SER  14  -0.910   4.077   6.720
  123   2HB   SER  14          1HB       SER  14  -2.322   3.080   6.381
  124    HG   SER  14           HG       SER  14  -1.497   2.252   8.222
  125    H    ALA  15           H        ALA  15  -0.256   1.336   2.965
  126    HA   ALA  15           HA       ALA  15  -0.761  -0.788   2.156
  127   1HB   ALA  15          1HB       ALA  15  -1.897  -1.992   4.534
  128   2HB   ALA  15          2HB       ALA  15  -0.427  -1.112   4.951
  129   3HB   ALA  15          3HB       ALA  15  -0.381  -2.373   3.720
  130    H    PHE  16           H        PHE  16  -3.296  -0.598   4.691
  131    HA   PHE  16           HA       PHE  16  -5.466  -1.411   3.140
  132   1HB   PHE  16          2HB       PHE  16  -5.218  -0.850   5.636
  133   2HB   PHE  16          1HB       PHE  16  -5.598   0.810   5.180
  134    HD1  PHE  16           1HD      PHE  16  -7.829   1.480   4.730
  135    HD2  PHE  16           2HD      PHE  16  -6.867  -2.694   5.034
  136    HE1  PHE  16           1HE      PHE  16 -10.244   0.920   4.681
  137    HE2  PHE  16           2HE      PHE  16  -9.281  -3.255   4.986
  138    HZ   PHE  16           HZ       PHE  16 -10.971  -1.448   4.809
  139    H    PHE  17           H        PHE  17  -4.423   1.979   3.661
  140    HA   PHE  17           HA       PHE  17  -6.361   3.251   2.009
  141   1HB   PHE  17          2HB       PHE  17  -4.385   4.054   3.640
  142   2HB   PHE  17          1HB       PHE  17  -3.543   4.252   2.103
  143    HD1  PHE  17           1HD      PHE  17  -6.748   5.101   3.839
  144    HD2  PHE  17           2HD      PHE  17  -3.928   6.151   0.773
  145    HE1  PHE  17           1HE      PHE  17  -7.973   7.220   3.438
  146    HE2  PHE  17           2HE      PHE  17  -5.154   8.270   0.371
  147    HZ   PHE  17           HZ       PHE  17  -7.176   8.803   1.703
  148    H    LEU  18           H        LEU  18  -3.219   1.785   1.227
  149    HA   LEU  18           HA       LEU  18  -3.101   2.609  -1.523
  150   1HB   LEU  18          2HB       LEU  18  -1.947   0.141  -0.176
  151   2HB   LEU  18          1HB       LEU  18  -1.362   0.889  -1.658
  152    HG   LEU  18           HG       LEU  18  -1.325   2.125   1.118
  153   1HD1  LEU  18          1HD1      LEU  18   0.649   0.716  -0.602
  154   2HD1  LEU  18          2HD1      LEU  18   0.532   0.786   1.156
  155   3HD1  LEU  18          3HD1      LEU  18   1.229   2.139   0.265
  156   1HD2  LEU  18          1HD2      LEU  18  -0.649   3.224  -1.620
  157   2HD2  LEU  18          2HD2      LEU  18   0.077   3.889  -0.157
  158   3HD2  LEU  18          3HD2      LEU  18  -1.672   3.945  -0.378
  159    H    PHE  19           H        PHE  19  -4.271  -0.397   0.042
  160    HA   PHE  19           HA       PHE  19  -5.012  -1.765  -2.368
  161   1HB   PHE  19          2HB       PHE  19  -4.729  -2.654   0.009
  162   2HB   PHE  19          1HB       PHE  19  -6.316  -1.969   0.363
  163    HD1  PHE  19           1HD      PHE  19  -8.289  -3.127  -0.219
  164    HD2  PHE  19           2HD      PHE  19  -4.537  -4.308  -1.945
  165    HE1  PHE  19           1HE      PHE  19  -9.374  -5.124  -1.213
  166    HE2  PHE  19           2HE      PHE  19  -5.621  -6.304  -2.938
  167    HZ   PHE  19           HZ       PHE  19  -8.039  -6.712  -2.572
  168    H    CYS  20           H        CYS  20  -6.968   0.163  -0.066
  169    HA   CYS  20           HA       CYS  20  -9.427   0.036  -1.545
  170   1HB   CYS  20          2HB       CYS  20  -8.891   0.789   0.879
  171   2HB   CYS  20          1HB       CYS  20  -8.507   2.354   0.165
  172    HG   CYS  20           HG       CYS  20 -11.088   1.987  -0.932
  173    H    SER  21           H        SER  21  -6.574   2.075  -1.821
  174    HA   SER  21           HA       SER  21  -7.890   3.860  -3.795
  175   1HB   SER  21          2HB       SER  21  -5.899   5.193  -3.490
  176   2HB   SER  21          1HB       SER  21  -6.402   4.629  -1.899
  177    HG   SER  21           HG       SER  21  -4.284   3.743  -3.539
  178    H    GLU  22           H        GLU  22  -6.840   0.845  -4.169
  179    HA   GLU  22           HA       GLU  22  -5.609   1.413  -6.825
  180   1HB   GLU  22          2HB       GLU  22  -4.606  -0.360  -4.615
  181   2HB   GLU  22          1HB       GLU  22  -4.048  -0.530  -6.274
  182   1HG   GLU  22          2HG       GLU  22  -3.926   2.065  -4.714
  183   2HG   GLU  22          1HG       GLU  22  -2.575   0.940  -4.856
  184    H    TYR  23           H        TYR  23  -7.987  -0.297  -5.075
  185    HA   TYR  23           HA       TYR  23  -8.203  -2.352  -7.246
  186   1HB   TYR  23          2HB       TYR  23  -8.405  -2.400  -4.282
  187   2HB   TYR  23          1HB       TYR  23  -9.577  -3.394  -5.147
  188    HD1  TYR  23           1HD      TYR  23  -8.943  -5.460  -6.108
  189    HD2  TYR  23           2HD      TYR  23  -5.925  -2.671  -4.859
  190    HE1  TYR  23           1HE      TYR  23  -7.193  -7.171  -6.514
  191    HE2  TYR  23           2HE      TYR  23  -4.177  -4.381  -5.264
  192    HH   TYR  23           HH       TYR  23  -4.533  -6.976  -7.090
  193    H    ARG  24           H        ARG  24  -9.912   0.020  -5.260
  194    HA   ARG  24           HA       ARG  24 -12.592  -0.547  -5.687
  195   1HB   ARG  24          2HB       ARG  24 -11.024   2.023  -5.597
  196   2HB   ARG  24          1HB       ARG  24 -12.784   2.019  -5.733
  197   1HG   ARG  24          2HG       ARG  24 -12.871   0.536  -3.705
  198   2HG   ARG  24          1HG       ARG  24 -11.133   0.775  -3.521
  199   1HD   ARG  24          2HD       ARG  24 -11.395   2.899  -2.713
  200   2HD   ARG  24          1HD       ARG  24 -12.702   3.269  -3.855
  201    HE   ARG  24           HE       ARG  24 -13.182   1.449  -1.530
  202   1HH1  ARG  24          1HH2      ARG  24 -15.129   2.447  -3.791
  203   2HH1  ARG  24          2HH2      ARG  24 -16.089   3.555  -2.868
  204   1HH2  ARG  24          1HH1      ARG  24 -13.892   3.637  -0.186
  205   2HH2  ARG  24          2HH1      ARG  24 -15.389   4.229  -0.828
  206    HA   PRO  25           HA       PRO  25 -12.603   1.859  -9.918
  207   1HB   PRO  25          2HB       PRO  25 -10.194   1.875 -11.256
  208   2HB   PRO  25          1HB       PRO  25 -10.766   3.212 -10.237
  209   1HG   PRO  25          2HG       PRO  25  -8.905   0.974  -9.539
  210   2HG   PRO  25          1HG       PRO  25  -8.741   2.712  -9.215
  211   1HD   PRO  25          2HD       PRO  25  -9.553   1.087  -7.298
  212   2HD   PRO  25          1HD       PRO  25 -10.331   2.672  -7.496
  213    H    LYS  26           H        LYS  26 -10.548  -0.908  -9.255
  214    HA   LYS  26           HA       LYS  26 -10.968  -2.306 -11.768
  215   1HB   LYS  26          2HB       LYS  26  -9.230  -2.671  -9.870
  216   2HB   LYS  26          1HB       LYS  26 -10.537  -3.516  -9.032
  217   1HG   LYS  26          2HG       LYS  26  -9.867  -4.235 -11.876
  218   2HG   LYS  26          1HG       LYS  26  -8.907  -4.895 -10.552
  219   1HD   LYS  26          2HD       LYS  26 -11.229  -5.496  -9.505
  220   2HD   LYS  26          1HD       LYS  26 -11.823  -5.312 -11.156
  221   1HE   LYS  26          2HE       LYS  26  -9.962  -6.915 -11.873
  222   2HE   LYS  26          1HE       LYS  26  -9.732  -7.262 -10.147
  223   1HZ   LYS  26          1HZ       LYS  26 -11.361  -8.766 -11.163
  224   2HZ   LYS  26          2HZ       LYS  26 -12.323  -7.435 -11.597
  225   3HZ   LYS  26          3HZ       LYS  26 -12.066  -7.804  -9.958
  226    H    ILE  27           H        ILE  27 -12.453  -2.393  -8.545
  227    HA   ILE  27           HA       ILE  27 -14.443  -4.367  -8.985
  228    HB   ILE  27           HB       ILE  27 -14.462  -1.868  -7.250
  229   1HG1  ILE  27          2HG1      ILE  27 -12.480  -3.244  -6.804
  230   2HG1  ILE  27          1HG1      ILE  27 -13.615  -3.378  -5.469
  231   1HG2  ILE  27          1HG2      ILE  27 -15.998  -3.195  -5.805
  232   2HG2  ILE  27          2HG2      ILE  27 -16.035  -4.450  -7.044
  233   3HG2  ILE  27          3HG2      ILE  27 -16.683  -2.846  -7.392
  234   1HD1  ILE  27          1HD1      ILE  27 -13.030  -5.388  -7.637
  235   2HD1  ILE  27          2HD1      ILE  27 -14.517  -5.461  -6.690
  236   3HD1  ILE  27          3HD1      ILE  27 -12.952  -5.602  -5.888
  237    H    LYS  28           H        LYS  28 -14.246  -1.096 -10.195
  238    HA   LYS  28           HA       LYS  28 -17.162  -0.837 -10.509
  239   1HB   LYS  28          2HB       LYS  28 -15.109   0.972 -11.776
  240   2HB   LYS  28          1HB       LYS  28 -16.694   1.378 -11.130
  241   1HG   LYS  28          2HG       LYS  28 -14.141   0.836  -9.647
  242   2HG   LYS  28          1HG       LYS  28 -15.126   2.279  -9.590
  243   1HD   LYS  28          2HD       LYS  28 -15.786  -0.433  -8.379
  244   2HD   LYS  28          1HD       LYS  28 -15.433   1.060  -7.518
  245   1HE   LYS  28          2HE       LYS  28 -17.812   0.684  -9.377
  246   2HE   LYS  28          1HE       LYS  28 -17.886   0.628  -7.604
  247   1HZ   LYS  28          1HZ       LYS  28 -18.344   2.857  -8.257
  248   2HZ   LYS  28          2HZ       LYS  28 -17.001   2.902  -9.297
  249   3HZ   LYS  28          3HZ       LYS  28 -16.775   2.843  -7.614
  250    H    SER  29           H        SER  29 -14.400  -1.791 -12.449
  251    HA   SER  29           HA       SER  29 -15.646  -1.521 -15.042
  252   1HB   SER  29          2HB       SER  29 -13.172  -1.765 -14.366
  253   2HB   SER  29          1HB       SER  29 -13.496  -3.490 -14.240
  254    HG   SER  29           HG       SER  29 -13.097  -1.970 -16.431
  255    H    GLU  30           H        GLU  30 -16.123  -3.814 -12.484
  256    HA   GLU  30           HA       GLU  30 -17.620  -5.583 -14.387
  257   1HB   GLU  30          2HB       GLU  30 -15.444  -6.141 -12.442
  258   2HB   GLU  30          1HB       GLU  30 -16.750  -7.323 -12.508
  259   1HG   GLU  30          2HG       GLU  30 -15.379  -6.315 -15.005
  260   2HG   GLU  30          1HG       GLU  30 -14.779  -7.710 -14.107
  261    H    HIS  31           H        HIS  31 -17.964  -3.555 -11.768
  262    HA   HIS  31           HA       HIS  31 -20.446  -4.978 -10.932
  263   1HB   HIS  31          2HB       HIS  31 -18.462  -3.794  -8.960
  264   2HB   HIS  31          1HB       HIS  31 -19.902  -4.728  -8.586
  265    HD1  HIS  31           1HD      HIS  31 -16.332  -5.103  -9.170
  266    HD2  HIS  31           2HD      HIS  31 -19.688  -7.538  -9.599
  267    HE1  HIS  31           1HE      HIS  31 -15.475  -7.478  -9.336
  268    HA   PRO  32           HA       PRO  32 -21.191  -0.533 -11.660
  269   1HB   PRO  32          2HB       PRO  32 -23.728  -0.843 -12.639
  270   2HB   PRO  32          1HB       PRO  32 -22.277  -1.001 -13.639
  271   1HG   PRO  32          2HG       PRO  32 -24.026  -3.106 -12.515
  272   2HG   PRO  32          1HG       PRO  32 -23.124  -3.075 -14.038
  273   1HD   PRO  32          2HD       PRO  32 -22.351  -4.444 -11.772
  274   2HD   PRO  32          1HD       PRO  32 -21.268  -3.965 -13.094
  275    H    GLY  33           H        GLY  33 -23.276  -2.965 -10.170
  276   1HA   GLY  33          2HA       GLY  33 -24.889  -1.074  -8.683
  277   2HA   GLY  33          1HA       GLY  33 -24.795  -2.810  -8.393
  278    H    LEU  34           H        LEU  34 -21.868  -2.774  -8.126
  279    HA   LEU  34           HA       LEU  34 -21.440  -2.690  -5.388
  280   1HB   LEU  34          2HB       LEU  34 -19.917  -2.788  -7.814
  281   2HB   LEU  34          1HB       LEU  34 -19.090  -1.699  -6.709
  282    HG   LEU  34           HG       LEU  34 -18.344  -4.056  -6.449
  283   1HD1  LEU  34          1HD1      LEU  34 -18.911  -4.177  -3.925
  284   2HD1  LEU  34          2HD1      LEU  34 -19.768  -2.660  -4.193
  285   3HD1  LEU  34          3HD1      LEU  34 -18.037  -2.763  -4.509
  286   1HD2  LEU  34          1HD2      LEU  34 -20.885  -4.809  -5.100
  287   2HD2  LEU  34          2HD2      LEU  34 -19.772  -5.804  -6.038
  288   3HD2  LEU  34          3HD2      LEU  34 -20.928  -4.758  -6.863
  289    H    SER  35           H        SER  35 -22.527  -0.851  -4.426
  290    HA   SER  35           HA       SER  35 -21.605   1.881  -5.083
  291   1HB   SER  35          2HB       SER  35 -23.984   1.249  -4.575
  292   2HB   SER  35          1HB       SER  35 -23.484   0.839  -2.936
  293    HG   SER  35           HG       SER  35 -24.326   3.048  -3.355
  294    H    ILE  36           H        ILE  36 -20.987   3.284  -3.092
  295    HA   ILE  36           HA       ILE  36 -18.590   2.399  -1.903
  296    HB   ILE  36           HB       ILE  36 -20.634   4.495  -1.114
  297   1HG1  ILE  36          2HG1      ILE  36 -18.367   5.788  -1.897
  298   2HG1  ILE  36          1HG1      ILE  36 -18.239   4.321  -2.865
  299   1HG2  ILE  36          1HG2      ILE  36 -18.628   5.462   0.200
  300   2HG2  ILE  36          2HG2      ILE  36 -17.944   3.839   0.110
  301   3HG2  ILE  36          3HG2      ILE  36 -19.480   4.103   0.934
  302   1HD1  ILE  36          1HD1      ILE  36 -20.132   4.799  -4.091
  303   2HD1  ILE  36          2HD1      ILE  36 -19.611   6.443  -3.721
  304   3HD1  ILE  36          3HD1      ILE  36 -20.891   5.688  -2.770
  305    H    GLY  37           H        GLY  37 -21.897   1.772  -0.922
  306   1HA   GLY  37          2HA       GLY  37 -21.439   1.073   1.813
  307   2HA   GLY  37          1HA       GLY  37 -22.770   0.465   0.824
  308    H    ASP  38           H        ASP  38 -21.976  -1.198  -0.905
  309    HA   ASP  38           HA       ASP  38 -20.701  -3.403   0.509
  310   1HB   ASP  38          2HB       ASP  38 -22.569  -3.329  -1.323
  311   2HB   ASP  38          1HB       ASP  38 -21.220  -3.262  -2.455
  312    H    THR  39           H        THR  39 -19.673  -0.979  -1.805
  313    HA   THR  39           HA       THR  39 -17.236  -2.257  -2.686
  314    HB   THR  39           HB       THR  39 -18.111   0.641  -2.564
  315    HG1  THR  39           1HG      THR  39 -18.820   0.272  -4.615
  316   1HG2  THR  39          1HG2      THR  39 -15.754   0.687  -2.878
  317   2HG2  THR  39          2HG2      THR  39 -16.438   0.834  -4.497
  318   3HG2  THR  39          3HG2      THR  39 -15.796  -0.715  -3.948
  319    H    ALA  40           H        ALA  40 -18.081  -0.294   0.126
  320    HA   ALA  40           HA       ALA  40 -15.308   0.235   0.897
  321   1HB   ALA  40          1HB       ALA  40 -18.008   0.492   2.255
  322   2HB   ALA  40          2HB       ALA  40 -17.077   1.779   1.492
  323   3HB   ALA  40          3HB       ALA  40 -16.499   1.040   2.985
  324    H    LYS  41           H        LYS  41 -17.685  -2.273   1.462
  325    HA   LYS  41           HA       LYS  41 -15.956  -3.486   3.563
  326   1HB   LYS  41          2HB       LYS  41 -17.953  -4.741   4.182
  327   2HB   LYS  41          1HB       LYS  41 -18.354  -3.030   4.058
  328   1HG   LYS  41          2HG       LYS  41 -19.157  -3.460   1.722
  329   2HG   LYS  41          1HG       LYS  41 -18.912  -5.180   2.000
  330   1HD   LYS  41          2HD       LYS  41 -21.209  -4.794   2.492
  331   2HD   LYS  41          1HD       LYS  41 -20.409  -4.902   4.061
  332   1HE   LYS  41          2HE       LYS  41 -20.157  -2.223   3.551
  333   2HE   LYS  41          1HE       LYS  41 -21.718  -2.578   2.782
  334   1HZ   LYS  41          1HZ       LYS  41 -21.945  -2.117   5.176
  335   2HZ   LYS  41          2HZ       LYS  41 -20.941  -3.445   5.519
  336   3HZ   LYS  41          3HZ       LYS  41 -22.449  -3.686   4.775
  337    H    LYS  42           H        LYS  42 -16.722  -3.817   0.214
  338    HA   LYS  42           HA       LYS  42 -16.279  -6.722   0.089
  339   1HB   LYS  42          2HB       LYS  42 -17.838  -5.480  -1.404
  340   2HB   LYS  42          1HB       LYS  42 -16.478  -4.550  -2.030
  341   1HG   LYS  42          2HG       LYS  42 -17.025  -6.388  -3.558
  342   2HG   LYS  42          1HG       LYS  42 -15.432  -6.644  -2.842
  343   1HD   LYS  42          2HD       LYS  42 -16.111  -8.480  -1.661
  344   2HD   LYS  42          1HD       LYS  42 -17.704  -7.801  -1.328
  345   1HE   LYS  42          2HE       LYS  42 -18.632  -8.745  -3.193
  346   2HE   LYS  42          1HE       LYS  42 -17.181  -8.463  -4.176
  347   1HZ   LYS  42          1HZ       LYS  42 -17.425 -10.491  -2.015
  348   2HZ   LYS  42          2HZ       LYS  42 -16.052 -10.220  -2.977
  349   3HZ   LYS  42          3HZ       LYS  42 -17.475 -10.828  -3.677
  350    H    LEU  43           H        LEU  43 -14.288  -3.934   0.265
  351    HA   LEU  43           HA       LEU  43 -12.058  -5.080  -1.308
  352   1HB   LEU  43          2HB       LEU  43 -12.532  -2.542   0.283
  353   2HB   LEU  43          1HB       LEU  43 -10.992  -2.903  -0.498
  354    HG   LEU  43           HG       LEU  43 -13.556  -3.031  -2.068
  355   1HD1  LEU  43          1HD1      LEU  43 -13.647  -0.751  -2.392
  356   2HD1  LEU  43          2HD1      LEU  43 -11.919  -0.536  -2.114
  357   3HD1  LEU  43          3HD1      LEU  43 -13.011  -0.762  -0.748
  358   1HD2  LEU  43          1HD2      LEU  43 -10.643  -2.485  -2.720
  359   2HD2  LEU  43          2HD2      LEU  43 -11.952  -2.408  -3.899
  360   3HD2  LEU  43          3HD2      LEU  43 -11.556  -3.939  -3.117
  361    H    GLY  44           H        GLY  44 -13.076  -4.564   2.013
  362   1HA   GLY  44          2HA       GLY  44 -10.561  -5.262   3.264
  363   2HA   GLY  44          1HA       GLY  44 -12.134  -5.242   4.068
  364    H    GLU  45           H        GLU  45 -13.364  -7.052   2.124
  365    HA   GLU  45           HA       GLU  45 -12.982  -9.563   3.367
  366   1HB   GLU  45          2HB       GLU  45 -14.156  -8.514   0.825
  367   2HB   GLU  45          1HB       GLU  45 -13.946 -10.260   0.959
  368   1HG   GLU  45          2HG       GLU  45 -15.311 -10.371   2.917
  369   2HG   GLU  45          1HG       GLU  45 -15.292  -8.619   3.112
  370    H    MET  46           H        MET  46 -11.444  -8.235   0.435
  371    HA   MET  46           HA       MET  46  -9.925 -10.670  -0.127
  372   1HB   MET  46          2HB       MET  46  -9.871  -7.809  -1.125
  373   2HB   MET  46          1HB       MET  46  -8.833  -9.076  -1.783
  374   1HG   MET  46          2HG       MET  46 -11.807  -9.501  -1.591
  375   2HG   MET  46          1HG       MET  46 -11.120  -8.609  -2.949
  376   1HE   MET  46          1HE       MET  46 -12.627 -10.918  -3.997
  377   2HE   MET  46          2HE       MET  46 -11.411 -11.614  -5.065
  378   3HE   MET  46          3HE       MET  46 -11.503  -9.865  -4.866
  379    H    TRP  47           H        TRP  47  -9.148  -7.434   1.164
  380    HA   TRP  47           HA       TRP  47  -6.356  -7.809   1.574
  381   1HB   TRP  47          2HB       TRP  47  -7.650  -5.678   1.656
  382   2HB   TRP  47          1HB       TRP  47  -8.351  -6.190   3.190
  383    HD1  TRP  47           HD       TRP  47  -6.889  -6.007   5.335
  384    HE1  TRP  47           1HE      TRP  47  -4.578  -4.975   5.826
  385    HE3  TRP  47           3HE      TRP  47  -5.229  -5.250   0.566
  386    HZ2  TRP  47           2HZ      TRP  47  -2.324  -3.962   4.387
  387    HZ3  TRP  47           3HZ      TRP  47  -3.000  -4.250   0.154
  388    HH2  TRP  47           HH       TRP  47  -1.546  -3.606   2.056
  389    H    SER  48           H        SER  48  -9.040  -9.189   3.304
  390    HA   SER  48           HA       SER  48  -7.327  -9.811   5.666
  391   1HB   SER  48          2HB       SER  48  -9.600  -8.754   5.875
  392   2HB   SER  48          1HB       SER  48 -10.292 -10.228   5.206
  393    HG   SER  48           HG       SER  48 -10.247 -10.190   7.519
  394    H    GLU  49           H        GLU  49  -9.279 -11.420   3.148
  395    HA   GLU  49           HA       GLU  49  -8.828 -14.086   4.198
  396   1HB   GLU  49          2HB       GLU  49  -9.958 -14.773   2.146
  397   2HB   GLU  49          1HB       GLU  49 -10.775 -13.369   2.827
  398   1HG   GLU  49          2HG       GLU  49  -9.308 -11.958   1.265
  399   2HG   GLU  49          1HG       GLU  49  -8.916 -13.469   0.448
  400    H    GLN  50           H        GLN  50  -7.164 -12.092   1.773
  401    HA   GLN  50           HA       GLN  50  -5.621 -14.113   0.505
  402   1HB   GLN  50          2HB       GLN  50  -4.896 -11.236   1.170
  403   2HB   GLN  50          1HB       GLN  50  -4.116 -12.234  -0.055
  404   1HG   GLN  50          2HG       GLN  50  -7.082 -12.001  -0.209
  405   2HG   GLN  50          1HG       GLN  50  -6.138 -10.583  -0.665
  406   1HE2  GLN  50          1HE2      GLN  50  -6.149 -10.644  -2.939
  407   2HE2  GLN  50          2HE2      GLN  50  -5.679 -11.989  -3.861
  408    H    SER  51           H        SER  51  -3.394 -14.717   0.844
  409    HA   SER  51           HA       SER  51  -2.701 -15.177   3.651
  410   1HB   SER  51          2HB       SER  51  -0.943 -16.524   2.649
  411   2HB   SER  51          1HB       SER  51  -2.401 -16.757   1.689
  412    HG   SER  51           HG       SER  51  -0.872 -16.298   0.215
  413    H    ALA  52           H        ALA  52   0.292 -14.817   2.745
  414    HA   ALA  52           HA       ALA  52   0.500 -12.022   3.686
  415   1HB   ALA  52          1HB       ALA  52   2.593 -14.122   3.039
  416   2HB   ALA  52          2HB       ALA  52   1.844 -13.904   4.620
  417   3HB   ALA  52          3HB       ALA  52   2.862 -12.634   3.944
  418    H    LYS  53           H        LYS  53  -0.527 -12.439   0.944
  419    HA   LYS  53           HA       LYS  53   1.734 -11.283  -0.648
  420   1HB   LYS  53          2HB       LYS  53  -0.426 -13.261  -1.156
  421   2HB   LYS  53          1HB       LYS  53  -0.107 -12.135  -2.475
  422   1HG   LYS  53          2HG       LYS  53   1.379 -13.916  -2.902
  423   2HG   LYS  53          1HG       LYS  53   2.391 -12.719  -2.092
  424   1HD   LYS  53          2HD       LYS  53   2.153 -13.878   0.032
  425   2HD   LYS  53          1HD       LYS  53   1.004 -15.013  -0.677
  426   1HE   LYS  53          2HE       LYS  53   2.849 -15.681  -2.312
  427   2HE   LYS  53          1HE       LYS  53   3.964 -14.758  -1.283
  428   1HZ   LYS  53          1HZ       LYS  53   3.241 -16.036   0.620
  429   2HZ   LYS  53          2HZ       LYS  53   3.807 -17.089  -0.585
  430   3HZ   LYS  53          3HZ       LYS  53   2.137 -16.903  -0.332
  431    H    ASP  54           H        ASP  54  -1.715 -11.030   0.185
  432    HA   ASP  54           HA       ASP  54  -1.976  -8.480  -1.327
  433   1HB   ASP  54          2HB       ASP  54  -3.665 -10.546  -0.977
  434   2HB   ASP  54          1HB       ASP  54  -4.121  -9.588   0.431
  435    H    LYS  55           H        LYS  55  -0.125  -8.166   0.530
  436    HA   LYS  55           HA       LYS  55  -1.107  -6.106   2.298
  437   1HB   LYS  55          2HB       LYS  55  -0.807  -8.909   3.237
  438   2HB   LYS  55          1HB       LYS  55  -0.097  -7.685   4.283
  439   1HG   LYS  55          2HG       LYS  55  -2.664  -6.728   3.465
  440   2HG   LYS  55          1HG       LYS  55  -2.865  -8.395   3.999
  441   1HD   LYS  55          2HD       LYS  55  -1.236  -6.480   5.651
  442   2HD   LYS  55          1HD       LYS  55  -2.996  -6.472   5.771
  443   1HE   LYS  55          2HE       LYS  55  -1.471  -9.070   5.981
  444   2HE   LYS  55          1HE       LYS  55  -1.691  -8.027   7.400
  445   1HZ   LYS  55          1HZ       LYS  55  -3.545  -9.549   7.211
  446   2HZ   LYS  55          2HZ       LYS  55  -3.843  -9.040   5.618
  447   3HZ   LYS  55          3HZ       LYS  55  -4.076  -7.966   6.913
  448    H    GLN  56           H        GLN  56   1.432  -8.590   2.536
  449    HA   GLN  56           HA       GLN  56   3.625  -7.217   3.394
  450   1HB   GLN  56          2HB       GLN  56   3.048  -9.540   1.730
  451   2HB   GLN  56          1HB       GLN  56   4.599  -8.821   1.302
  452   1HG   GLN  56          2HG       GLN  56   4.873 -10.516   3.069
  453   2HG   GLN  56          1HG       GLN  56   5.298  -8.914   3.660
  454   1HE2  GLN  56          1HE2      GLN  56   2.030 -10.362   3.234
  455   2HE2  GLN  56          2HE2      GLN  56   1.586 -10.209   4.865
  456    HA   PRO  57           HA       PRO  57   4.997  -5.645  -0.924
  457   1HB   PRO  57          2HB       PRO  57   3.199  -5.755  -2.989
  458   2HB   PRO  57          1HB       PRO  57   4.361  -7.052  -2.641
  459   1HG   PRO  57          2HG       PRO  57   1.480  -6.847  -1.901
  460   2HG   PRO  57          1HG       PRO  57   2.384  -8.240  -2.519
  461   1HD   PRO  57          2HD       PRO  57   1.786  -7.973   0.090
  462   2HD   PRO  57          1HD       PRO  57   3.297  -8.731  -0.454
  463    H    TYR  58           H        TYR  58   1.575  -5.268  -0.116
  464    HA   TYR  58           HA       TYR  58   1.460  -2.474  -1.025
  465   1HB   TYR  58          2HB       TYR  58  -0.328  -4.521   0.223
  466   2HB   TYR  58          1HB       TYR  58  -0.791  -2.827   0.372
  467    HD1  TYR  58           1HD      TYR  58  -0.805  -5.698  -1.751
  468    HD2  TYR  58           2HD      TYR  58  -0.750  -1.402  -1.807
  469    HE1  TYR  58           1HE      TYR  58  -1.627  -5.717  -4.091
  470    HE2  TYR  58           2HE      TYR  58  -1.573  -1.423  -4.147
  471    HH   TYR  58           HH       TYR  58  -2.798  -2.919  -5.651
  472    H    GLU  59           H        GLU  59   2.490  -4.111   1.831
  473    HA   GLU  59           HA       GLU  59   1.840  -2.021   3.759
  474   1HB   GLU  59          2HB       GLU  59   3.402  -4.582   3.633
  475   2HB   GLU  59          1HB       GLU  59   3.677  -3.497   4.998
  476   1HG   GLU  59          2HG       GLU  59   0.969  -4.552   4.133
  477   2HG   GLU  59          1HG       GLU  59   1.916  -5.187   5.476
  478    H    GLN  60           H        GLN  60   5.011  -3.259   2.647
  479    HA   GLN  60           HA       GLN  60   6.633  -1.167   3.587
  480   1HB   GLN  60          2HB       GLN  60   8.218  -1.982   1.853
  481   2HB   GLN  60          1HB       GLN  60   7.427  -3.314   2.694
  482   1HG   GLN  60          2HG       GLN  60   5.795  -3.505   0.837
  483   2HG   GLN  60          1HG       GLN  60   6.621  -2.196  -0.009
  484   1HE2  GLN  60          1HE2      GLN  60   8.148  -2.906  -1.496
  485   2HE2  GLN  60          2HE2      GLN  60   8.981  -4.383  -1.413
  486    H    LYS  61           H        LYS  61   4.493  -1.156   0.817
  487    HA   LYS  61           HA       LYS  61   5.682   0.963  -0.705
  488   1HB   LYS  61          2HB       LYS  61   3.892  -0.593  -1.468
  489   2HB   LYS  61          1HB       LYS  61   2.765   0.182  -0.354
  490   1HG   LYS  61          2HG       LYS  61   2.864   2.252  -1.538
  491   2HG   LYS  61          1HG       LYS  61   4.265   1.731  -2.475
  492   1HD   LYS  61          2HD       LYS  61   2.732  -0.162  -3.346
  493   2HD   LYS  61          1HD       LYS  61   1.402   0.810  -2.715
  494   1HE   LYS  61          2HE       LYS  61   1.908   2.637  -4.170
  495   2HE   LYS  61          1HE       LYS  61   3.491   1.953  -4.593
  496   1HZ   LYS  61          1HZ       LYS  61   0.864   0.674  -5.143
  497   2HZ   LYS  61          2HZ       LYS  61   2.386   0.042  -5.556
  498   3HZ   LYS  61          3HZ       LYS  61   1.823   1.464  -6.297
  499    H    ALA  62           H        ALA  62   3.114   1.053   1.792
  500    HA   ALA  62           HA       ALA  62   3.028   3.977   1.815
  501   1HB   ALA  62          1HB       ALA  62   1.042   2.713   2.319
  502   2HB   ALA  62          2HB       ALA  62   1.551   3.467   3.830
  503   3HB   ALA  62          3HB       ALA  62   1.887   1.761   3.540
  504    H    ALA  63           H        ALA  63   4.996   1.553   3.317
  505    HA   ALA  63           HA       ALA  63   5.643   2.795   5.801
  506   1HB   ALA  63          1HB       ALA  63   7.360   1.104   3.951
  507   2HB   ALA  63          2HB       ALA  63   6.180   0.466   5.097
  508   3HB   ALA  63          3HB       ALA  63   7.608   1.318   5.684
  509    H    LYS  64           H        LYS  64   6.932   3.313   2.503
  510    HA   LYS  64           HA       LYS  64   9.116   5.033   3.375
  511   1HB   LYS  64          2HB       LYS  64   7.701   4.613   0.721
  512   2HB   LYS  64          1HB       LYS  64   9.212   5.503   0.915
  513   1HG   LYS  64          2HG       LYS  64   8.868   2.642   1.839
  514   2HG   LYS  64          1HG       LYS  64   9.463   3.062   0.233
  515   1HD   LYS  64          2HD       LYS  64  11.281   4.397   1.281
  516   2HD   LYS  64          1HD       LYS  64  10.710   3.888   2.871
  517   1HE   LYS  64          2HE       LYS  64  10.991   1.468   2.008
  518   2HE   LYS  64          1HE       LYS  64  11.949   2.188   0.698
  519   1HZ   LYS  64          1HZ       LYS  64  13.341   1.641   2.617
  520   2HZ   LYS  64          2HZ       LYS  64  12.389   2.645   3.603
  521   3HZ   LYS  64          3HZ       LYS  64  13.307   3.314   2.340
  522    H    LEU  65           H        LEU  65   6.197   5.815   1.450
  523    HA   LEU  65           HA       LEU  65   6.221   8.579   1.516
  524   1HB   LEU  65          2HB       LEU  65   4.078   6.484   1.576
  525   2HB   LEU  65          1HB       LEU  65   3.606   8.181   1.663
  526    HG   LEU  65           HG       LEU  65   5.314   8.402  -0.362
  527   1HD1  LEU  65          1HD1      LEU  65   4.879   6.276  -1.802
  528   2HD1  LEU  65          2HD1      LEU  65   4.549   5.490  -0.259
  529   3HD1  LEU  65          3HD1      LEU  65   6.132   6.205  -0.563
  530   1HD2  LEU  65          1HD2      LEU  65   3.417   8.217  -1.875
  531   2HD2  LEU  65          2HD2      LEU  65   2.851   8.895  -0.348
  532   3HD2  LEU  65          3HD2      LEU  65   2.553   7.197  -0.724
  533    H    LYS  66           H        LYS  66   5.466   6.471   4.239
  534    HA   LYS  66           HA       LYS  66   4.141   8.404   5.916
  535   1HB   LYS  66          2HB       LYS  66   4.240   5.885   6.167
  536   2HB   LYS  66          1HB       LYS  66   5.907   6.066   6.714
  537   1HG   LYS  66          2HG       LYS  66   4.635   6.012   8.714
  538   2HG   LYS  66          1HG       LYS  66   4.970   7.724   8.450
  539   1HD   LYS  66          2HD       LYS  66   2.780   8.142   7.638
  540   2HD   LYS  66          1HD       LYS  66   2.453   6.424   7.404
  541   1HE   LYS  66          2HE       LYS  66   2.818   6.234   9.984
  542   2HE   LYS  66          1HE       LYS  66   2.541   7.988   9.982
  543   1HZ   LYS  66          1HZ       LYS  66   0.446   6.800  10.190
  544   2HZ   LYS  66          2HZ       LYS  66   0.762   5.943   8.757
  545   3HZ   LYS  66          3HZ       LYS  66   0.511   7.623   8.708
  546    H    GLU  67           H        GLU  67   7.547   7.389   5.620
  547    HA   GLU  67           HA       GLU  67   8.604   9.145   7.639
  548   1HB   GLU  67          2HB       GLU  67   9.575   7.063   6.377
  549   2HB   GLU  67          1HB       GLU  67  10.105   8.250   5.184
  550   1HG   GLU  67          2HG       GLU  67  11.160   9.537   7.108
  551   2HG   GLU  67          1HG       GLU  67  10.845   8.125   8.115
  552    H    LYS  68           H        LYS  68   8.683   9.434   4.059
  553    HA   LYS  68           HA       LYS  68   9.793  12.026   3.876
  554   1HB   LYS  68          2HB       LYS  68   8.376  10.104   2.218
  555   2HB   LYS  68          1HB       LYS  68   7.888  11.746   1.803
  556   1HG   LYS  68          2HG       LYS  68   9.769  11.507   0.461
  557   2HG   LYS  68          1HG       LYS  68  10.490  12.210   1.910
  558   1HD   LYS  68          2HD       LYS  68  11.266  10.090   2.677
  559   2HD   LYS  68          1HD       LYS  68  10.267   9.222   1.509
  560   1HE   LYS  68          2HE       LYS  68  11.633  10.488  -0.303
  561   2HE   LYS  68          1HE       LYS  68  12.788  10.809   1.007
  562   1HZ   LYS  68          1HZ       LYS  68  12.882   8.469   1.497
  563   2HZ   LYS  68          2HZ       LYS  68  13.246   8.697  -0.146
  564   3HZ   LYS  68          3HZ       LYS  68  11.714   8.125   0.316
  565    H    TYR  69           H        TYR  69   6.469  11.047   4.569
  566    HA   TYR  69           HA       TYR  69   5.325  13.714   4.258
  567   1HB   TYR  69          2HB       TYR  69   4.031  11.640   3.978
  568   2HB   TYR  69          1HB       TYR  69   4.374  11.178   5.643
  569    HD1  TYR  69           1HD      TYR  69   3.232  12.225   7.506
  570    HD2  TYR  69           2HD      TYR  69   2.528  13.543   3.479
  571    HE1  TYR  69           1HE      TYR  69   1.263  13.522   8.275
  572    HE2  TYR  69           2HE      TYR  69   0.560  14.842   4.249
  573    HH   TYR  69           HH       TYR  69  -1.094  14.606   6.334
  574    H    GLU  70           H        GLU  70   5.509  11.682   7.191
  575    HA   GLU  70           HA       GLU  70   5.123  13.637   9.148
  576   1HB   GLU  70          2HB       GLU  70   6.623  11.051   8.965
  577   2HB   GLU  70          1HB       GLU  70   6.785  12.006  10.440
  578   1HG   GLU  70          2HG       GLU  70   4.256  12.113  10.532
  579   2HG   GLU  70          1HG       GLU  70   4.230  10.932   9.222
  580    H    LYS  71           H        LYS  71   8.057  13.021   7.300
  581    HA   LYS  71           HA       LYS  71   9.733  14.748   9.003
  582   1HB   LYS  71          2HB       LYS  71  10.086  13.214   6.419
  583   2HB   LYS  71          1HB       LYS  71  11.369  14.215   7.099
  584   1HG   LYS  71          2HG       LYS  71  10.005  12.212   8.867
  585   2HG   LYS  71          1HG       LYS  71  11.222  11.651   7.719
  586   1HD   LYS  71          2HD       LYS  71  11.727  13.952   9.615
  587   2HD   LYS  71          1HD       LYS  71  12.086  12.279  10.042
  588   1HE   LYS  71          2HE       LYS  71  13.521  12.112   7.985
  589   2HE   LYS  71          1HE       LYS  71  13.257  13.846   7.717
  590   1HZ   LYS  71          1HZ       LYS  71  14.329  12.645  10.217
  591   2HZ   LYS  71          2HZ       LYS  71  14.103  14.303   9.921
  592   3HZ   LYS  71          3HZ       LYS  71  15.264  13.431   9.039
  593    H    ASP  72           H        ASP  72   8.786  14.817   5.543
  594    HA   ASP  72           HA       ASP  72   9.663  17.490   5.040
  595   1HB   ASP  72          2HB       ASP  72   9.109  15.640   3.403
  596   2HB   ASP  72          1HB       ASP  72   7.403  15.980   3.699
  597    H    ILE  73           H        ILE  73   6.604  16.242   6.321
  598    HA   ILE  73           HA       ILE  73   5.123  18.710   5.987
  599    HB   ILE  73           HB       ILE  73   4.264  16.319   6.246
  600   1HG1  ILE  73          2HG1      ILE  73   2.403  17.206   7.941
  601   2HG1  ILE  73          1HG1      ILE  73   3.222  18.741   7.645
  602   1HG2  ILE  73          1HG2      ILE  73   4.479  16.837   9.213
  603   2HG2  ILE  73          2HG2      ILE  73   5.717  15.931   8.343
  604   3HG2  ILE  73          3HG2      ILE  73   4.058  15.336   8.390
  605   1HD1  ILE  73          1HD1      ILE  73   1.493  18.554   5.984
  606   2HD1  ILE  73          2HD1      ILE  73   1.967  16.900   5.593
  607   3HD1  ILE  73          3HD1      ILE  73   3.023  18.246   5.162
  608    H    ALA  74           H        ALA  74   7.089  17.348   8.604
  609    HA   ALA  74           HA       ALA  74   6.410  19.098  10.726
  610   1HB   ALA  74          1HB       ALA  74   7.853  17.056  10.813
  611   2HB   ALA  74          2HB       ALA  74   8.599  18.442  11.609
  612   3HB   ALA  74          3HB       ALA  74   9.128  17.960   9.997
  613    H    ALA  75           H        ALA  75   8.816  19.523   8.125
  614    HA   ALA  75           HA       ALA  75   9.566  22.207   9.075
  615   1HB   ALA  75          1HB       ALA  75  10.264  20.521   6.651
  616   2HB   ALA  75          2HB       ALA  75  11.226  20.710   8.117
  617   3HB   ALA  75          3HB       ALA  75  11.014  22.075   7.020
  618    H    TYR  76           H        TYR  76   7.088  20.903   7.076
  619    HA   TYR  76           HA       TYR  76   6.869  23.151   5.218
  620   1HB   TYR  76          2HB       TYR  76   6.172  20.792   4.764
  621   2HB   TYR  76          1HB       TYR  76   4.905  20.964   5.979
  622    HD1  TYR  76           1HD      TYR  76   6.141  22.255   2.718
  623    HD2  TYR  76           2HD      TYR  76   2.872  22.128   5.504
  624    HE1  TYR  76           1HE      TYR  76   4.657  23.300   1.027
  625    HE2  TYR  76           2HE      TYR  76   1.390  23.172   3.811
  626    HH   TYR  76           HH       TYR  76   2.022  24.817   1.582
  627    H    ARG  77           H        ARG  77   5.591  22.333   8.391
  628    HA   ARG  77           HA       ARG  77   3.662  24.604   8.275
  629   1HB   ARG  77          2HB       ARG  77   4.100  22.229  10.097
  630   2HB   ARG  77          1HB       ARG  77   2.943  23.508  10.473
  631   1HG   ARG  77          2HG       ARG  77   1.621  23.031   8.566
  632   2HG   ARG  77          1HG       ARG  77   2.904  22.083   7.813
  633   1HD   ARG  77          2HD       ARG  77   2.670  20.340   9.525
  634   2HD   ARG  77          1HD       ARG  77   1.434  21.303  10.359
  635    HE   ARG  77           HE       ARG  77   0.960  20.691   7.496
  636   1HH1  ARG  77          1HH1      ARG  77   0.789  18.368   9.587
  637   2HH1  ARG  77          2HH1      ARG  77  -0.923  18.338   9.849
  638   1HH2  ARG  77          1HH2      ARG  77  -1.473  21.423   8.363
  639   2HH2  ARG  77          2HH2      ARG  77  -2.203  20.068   9.156
  640    H    ALA  78           H        ALA  78   6.871  24.222   9.099
  641    HA   ALA  78           HA       ALA  78   8.348  25.387  10.522
  642   1HB   ALA  78          1HB       ALA  78   6.141  27.443  10.647
  643   2HB   ALA  78          2HB       ALA  78   7.017  27.136   9.148
  644   3HB   ALA  78          3HB       ALA  78   7.883  27.709  10.572
  645    H    LYS  79           H        LYS  79   8.315  24.072  12.411
  646    HA   LYS  79           HA       LYS  79   6.698  25.171  14.662
  647   1HB   LYS  79          2HB       LYS  79   6.101  22.849  15.292
  648   2HB   LYS  79          1HB       LYS  79   5.491  23.258  13.691
  649   1HG   LYS  79          2HG       LYS  79   7.986  22.264  13.104
  650   2HG   LYS  79          1HG       LYS  79   7.522  21.269  14.482
  651   1HD   LYS  79          2HD       LYS  79   5.715  21.730  12.097
  652   2HD   LYS  79          1HD       LYS  79   6.813  20.356  12.224
  653   1HE   LYS  79          2HE       LYS  79   5.673  19.955  14.544
  654   2HE   LYS  79          1HE       LYS  79   4.379  20.977  13.887
  655   1HZ   LYS  79          1HZ       LYS  79   4.305  19.575  11.924
  656   2HZ   LYS  79          2HZ       LYS  79   4.029  18.643  13.316
  657   3HZ   LYS  79          3HZ       LYS  79   5.541  18.593  12.544
  Start of MODEL   21
    1   1H    MET   1          1HT       MET   1 -11.985  16.190  -9.808
    2   2H    MET   1          2HT       MET   1 -11.845  17.177  -8.433
    3   3H    MET   1          3HT       MET   1 -12.718  15.722  -8.351
    4    HA   MET   1           HA       MET   1 -10.678  14.453  -8.733
    5   1HB   MET   1          2HB       MET   1  -9.803  16.469 -10.080
    6   2HB   MET   1          1HB       MET   1  -9.314  17.144  -8.526
    7   1HG   MET   1          2HG       MET   1  -8.049  15.012  -8.082
    8   2HG   MET   1          1HG       MET   1  -8.408  14.519  -9.738
    9   1HE   MET   1          1HE       MET   1  -4.720  15.293  -9.966
   10   2HE   MET   1          2HE       MET   1  -5.935  14.596 -11.036
   11   3HE   MET   1          3HE       MET   1  -5.923  14.164  -9.328
   12    H    LYS   2           H        LYS   2  -9.983  13.581  -6.801
   13    HA   LYS   2           HA       LYS   2 -10.380  15.216  -4.325
   14   1HB   LYS   2          2HB       LYS   2 -10.725  12.391  -5.154
   15   2HB   LYS   2          1HB       LYS   2 -10.114  12.634  -3.516
   16   1HG   LYS   2          2HG       LYS   2 -12.127  14.520  -3.673
   17   2HG   LYS   2          1HG       LYS   2 -12.784  13.188  -4.620
   18   1HD   LYS   2          2HD       LYS   2 -11.952  11.718  -2.602
   19   2HD   LYS   2          1HD       LYS   2 -12.002  13.248  -1.726
   20   1HE   LYS   2          2HE       LYS   2 -14.404  12.766  -3.359
   21   2HE   LYS   2          1HE       LYS   2 -14.156  11.571  -2.072
   22   1HZ   LYS   2          1HZ       LYS   2 -14.038  14.521  -1.729
   23   2HZ   LYS   2          2HZ       LYS   2 -13.795  13.370  -0.503
   24   3HZ   LYS   2          3HZ       LYS   2 -15.322  13.529  -1.232
   25    H    LYS   3           H        LYS   3  -8.308  16.234  -4.222
   26    HA   LYS   3           HA       LYS   3  -6.165  14.649  -3.101
   27   1HB   LYS   3          2HB       LYS   3  -6.157  14.212  -5.633
   28   2HB   LYS   3          1HB       LYS   3  -5.643  15.890  -5.809
   29   1HG   LYS   3          2HG       LYS   3  -3.646  15.499  -4.529
   30   2HG   LYS   3          1HG       LYS   3  -4.201  13.895  -4.046
   31   1HD   LYS   3          2HD       LYS   3  -3.978  13.046  -6.272
   32   2HD   LYS   3          1HD       LYS   3  -3.757  14.664  -6.938
   33   1HE   LYS   3          2HE       LYS   3  -1.592  14.889  -5.912
   34   2HE   LYS   3          1HE       LYS   3  -1.837  13.422  -4.942
   35   1HZ   LYS   3          1HZ       LYS   3  -0.539  12.950  -6.942
   36   2HZ   LYS   3          2HZ       LYS   3  -1.803  13.538  -7.913
   37   3HZ   LYS   3          3HZ       LYS   3  -2.029  12.139  -6.974
   38    H    LYS   4           H        LYS   4  -4.988  16.003  -1.800
   39    HA   LYS   4           HA       LYS   4  -5.617  18.754  -1.461
   40   1HB   LYS   4          2HB       LYS   4  -3.291  16.986  -0.686
   41   2HB   LYS   4          1HB       LYS   4  -3.377  18.674  -0.177
   42   1HG   LYS   4          2HG       LYS   4  -5.748  18.102   0.672
   43   2HG   LYS   4          1HG       LYS   4  -5.258  16.415   0.508
   44   1HD   LYS   4          2HD       LYS   4  -4.731  16.979   2.754
   45   2HD   LYS   4          1HD       LYS   4  -3.191  17.054   1.897
   46   1HE   LYS   4          2HE       LYS   4  -3.370  19.490   1.701
   47   2HE   LYS   4          1HE       LYS   4  -4.972  19.453   2.467
   48   1HZ   LYS   4          1HZ       LYS   4  -2.457  18.440   3.688
   49   2HZ   LYS   4          2HZ       LYS   4  -3.994  18.422   4.412
   50   3HZ   LYS   4          3HZ       LYS   4  -3.219  19.899   4.094
   51    H    ASP   5           H        ASP   5  -2.381  17.613  -2.459
   52    HA   ASP   5           HA       ASP   5  -2.319  19.336  -4.830
   53   1HB   ASP   5          2HB       ASP   5  -1.297  20.154  -2.160
   54   2HB   ASP   5          1HB       ASP   5  -0.239  20.498  -3.530
   55    HA   PRO   6           HA       PRO   6   0.882  16.449  -5.792
   56   1HB   PRO   6          2HB       PRO   6   2.390  17.861  -7.586
   57   2HB   PRO   6          1HB       PRO   6   0.791  17.196  -7.980
   58   1HG   PRO   6          2HG       PRO   6   1.561  19.981  -7.276
   59   2HG   PRO   6          1HG       PRO   6   0.373  19.399  -8.452
   60   1HD   PRO   6          2HD       PRO   6  -0.281  20.371  -5.982
   61   2HD   PRO   6          1HD       PRO   6  -1.276  19.207  -6.883
   62    H    ASN   7           H        ASN   7   1.959  19.758  -5.044
   63    HA   ASN   7           HA       ASN   7   4.669  18.947  -4.312
   64   1HB   ASN   7          2HB       ASN   7   2.978  21.422  -4.290
   65   2HB   ASN   7          1HB       ASN   7   4.471  21.415  -3.350
   66   1HD2  ASN   7          1HD2      ASN   7   3.448  20.285  -6.634
   67   2HD2  ASN   7          2HD2      ASN   7   4.815  20.905  -7.426
   68    H    ALA   8           H        ALA   8   1.604  19.148  -2.645
   69    HA   ALA   8           HA       ALA   8   2.928  19.077   0.021
   70   1HB   ALA   8          1HB       ALA   8   0.027  19.277  -0.854
   71   2HB   ALA   8          2HB       ALA   8   1.057  20.634  -0.397
   72   3HB   ALA   8          3HB       ALA   8   0.599  19.430   0.807
   73    HA   PRO   9           HA       PRO   9   2.365  14.649  -0.055
   74   1HB   PRO   9          2HB       PRO   9   2.859  14.117   2.580
   75   2HB   PRO   9          1HB       PRO   9   4.143  14.489   1.415
   76   1HG   PRO   9          2HG       PRO   9   2.860  16.249   3.443
   77   2HG   PRO   9          1HG       PRO   9   4.559  16.144   2.950
   78   1HD   PRO   9          2HD       PRO   9   2.862  18.100   2.093
   79   2HD   PRO   9          1HD       PRO   9   4.253  17.527   1.147
   80    H    LYS  10           H        LYS  10   0.202  14.133  -0.328
   81    HA   LYS  10           HA       LYS  10  -1.976  15.023   1.271
   82   1HB   LYS  10          2HB       LYS  10  -3.176  13.166   0.114
   83   2HB   LYS  10          1HB       LYS  10  -2.183  14.106  -0.998
   84   1HG   LYS  10          2HG       LYS  10  -0.614  11.956   0.154
   85   2HG   LYS  10          1HG       LYS  10  -2.090  11.310  -0.561
   86   1HD   LYS  10          2HD       LYS  10  -1.579  12.192  -2.698
   87   2HD   LYS  10          1HD       LYS  10  -0.360  13.289  -2.047
   88   1HE   LYS  10          2HE       LYS  10   0.785  11.412  -3.114
   89   2HE   LYS  10          1HE       LYS  10   0.981  11.248  -1.357
   90   1HZ   LYS  10          1HZ       LYS  10   0.202   9.176  -2.409
   91   2HZ   LYS  10          2HZ       LYS  10  -1.193   9.986  -2.945
   92   3HZ   LYS  10          3HZ       LYS  10  -0.911   9.784  -1.282
   93    H    ARG  11           H        ARG  11  -3.398  12.783   2.089
   94    HA   ARG  11           HA       ARG  11  -2.335  12.210   4.672
   95   1HB   ARG  11          2HB       ARG  11  -4.600  11.468   2.970
   96   2HB   ARG  11          1HB       ARG  11  -4.102  10.143   4.020
   97   1HG   ARG  11          2HG       ARG  11  -5.726  11.448   5.235
   98   2HG   ARG  11          1HG       ARG  11  -4.149  11.772   5.951
   99   1HD   ARG  11          2HD       ARG  11  -4.711  13.603   3.742
  100   2HD   ARG  11          1HD       ARG  11  -5.934  13.708   5.023
  101    HE   ARG  11           HE       ARG  11  -3.016  13.787   5.682
  102   1HH1  ARG  11          1HH1      ARG  11  -4.148  16.447   4.995
  103   2HH1  ARG  11          2HH1      ARG  11  -4.697  17.031   6.530
  104   1HH2  ARG  11          1HH2      ARG  11  -4.623  13.911   8.041
  105   2HH2  ARG  11          2HH2      ARG  11  -4.966  15.596   8.255
  106    HA   PRO  12           HA       PRO  12   0.556   9.026   3.571
  107   1HB   PRO  12          2HB       PRO  12   0.957   7.912   6.036
  108   2HB   PRO  12          1HB       PRO  12   1.661   9.466   5.552
  109   1HG   PRO  12          2HG       PRO  12  -0.703   8.911   7.258
  110   2HG   PRO  12          1HG       PRO  12   0.514  10.186   7.390
  111   1HD   PRO  12          2HD       PRO  12  -2.003  10.557   6.363
  112   2HD   PRO  12          1HD       PRO  12  -0.600  11.573   5.968
  113    HA   PRO  13           HA       PRO  13  -2.353   5.631   3.318
  114   1HB   PRO  13          2HB       PRO  13  -0.896   4.006   1.676
  115   2HB   PRO  13          1HB       PRO  13  -1.761   5.441   1.092
  116   1HG   PRO  13          2HG       PRO  13   1.125   5.035   1.542
  117   2HG   PRO  13          1HG       PRO  13   0.294   6.097   0.398
  118   1HD   PRO  13          2HD       PRO  13   1.478   6.859   2.825
  119   2HD   PRO  13          1HD       PRO  13   0.386   7.843   1.831
  120    H    SER  14           H        SER  14  -1.865   2.996   3.362
  121    HA   SER  14           HA       SER  14   0.334   2.199   5.101
  122   1HB   SER  14          2HB       SER  14  -1.171   3.477   6.624
  123   2HB   SER  14          1HB       SER  14  -2.481   2.370   6.226
  124    HG   SER  14           HG       SER  14  -1.636   1.427   7.958
  125    H    ALA  15           H        ALA  15  -0.186   0.996   2.766
  126    HA   ALA  15           HA       ALA  15  -0.523  -1.109   1.823
  127   1HB   ALA  15          1HB       ALA  15  -1.665  -2.491   4.109
  128   2HB   ALA  15          2HB       ALA  15  -0.257  -1.552   4.601
  129   3HB   ALA  15          3HB       ALA  15  -0.110  -2.752   3.319
  130    H    PHE  16           H        PHE  16  -3.156  -1.188   4.268
  131    HA   PHE  16           HA       PHE  16  -5.210  -2.116   2.652
  132   1HB   PHE  16          2HB       PHE  16  -5.108  -1.559   5.153
  133   2HB   PHE  16          1HB       PHE  16  -5.556   0.084   4.694
  134    HD1  PHE  16           1HD      PHE  16  -6.604  -3.424   3.845
  135    HD2  PHE  16           2HD      PHE  16  -7.824   0.589   4.769
  136    HE1  PHE  16           1HE      PHE  16  -8.981  -4.110   3.680
  137    HE2  PHE  16           2HE      PHE  16 -10.202  -0.096   4.604
  138    HZ   PHE  16           HZ       PHE  16 -10.779  -2.446   4.058
  139    H    PHE  17           H        PHE  17  -4.515   1.360   3.224
  140    HA   PHE  17           HA       PHE  17  -6.473   2.427   1.455
  141   1HB   PHE  17          2HB       PHE  17  -4.141   3.287   2.964
  142   2HB   PHE  17          1HB       PHE  17  -4.187   4.106   1.405
  143    HD1  PHE  17           1HD      PHE  17  -6.363   3.230   4.325
  144    HD2  PHE  17           2HD      PHE  17  -5.603   5.947   1.086
  145    HE1  PHE  17           1HE      PHE  17  -8.154   4.728   5.162
  146    HE2  PHE  17           2HE      PHE  17  -7.393   7.445   1.924
  147    HZ   PHE  17           HZ       PHE  17  -8.669   6.836   3.962
  148    H    LEU  18           H        LEU  18  -3.117   1.393   0.851
  149    HA   LEU  18           HA       LEU  18  -2.908   2.244  -1.867
  150   1HB   LEU  18          2HB       LEU  18  -1.671  -0.175  -0.502
  151   2HB   LEU  18          1HB       LEU  18  -1.047   0.640  -1.931
  152    HG   LEU  18           HG       LEU  18  -1.243   1.800   0.870
  153   1HD1  LEU  18          1HD1      LEU  18   0.977   0.776  -0.876
  154   2HD1  LEU  18          2HD1      LEU  18   0.663   0.452   0.829
  155   3HD1  LEU  18          3HD1      LEU  18   1.305   2.018   0.332
  156   1HD2  LEU  18          1HD2      LEU  18   0.010   3.737  -0.219
  157   2HD2  LEU  18          2HD2      LEU  18  -1.691   3.604  -0.665
  158   3HD2  LEU  18          3HD2      LEU  18  -0.441   3.046  -1.778
  159    H    PHE  19           H        PHE  19  -3.945  -0.866  -0.451
  160    HA   PHE  19           HA       PHE  19  -4.471  -2.188  -2.961
  161   1HB   PHE  19          2HB       PHE  19  -4.068  -3.277  -0.756
  162   2HB   PHE  19          1HB       PHE  19  -5.609  -2.642  -0.182
  163    HD1  PHE  19           1HD      PHE  19  -3.963  -5.188  -2.196
  164    HD2  PHE  19           2HD      PHE  19  -7.748  -3.391  -1.251
  165    HE1  PHE  19           1HE      PHE  19  -5.135  -7.131  -3.196
  166    HE2  PHE  19           2HE      PHE  19  -8.921  -5.334  -2.252
  167    HZ   PHE  19           HZ       PHE  19  -7.613  -7.204  -3.224
  168    H    CYS  20           H        CYS  20  -6.683  -0.696  -0.568
  169    HA   CYS  20           HA       CYS  20  -9.120  -1.068  -1.961
  170   1HB   CYS  20          2HB       CYS  20  -8.012   0.789   0.095
  171   2HB   CYS  20          1HB       CYS  20  -9.548   1.240  -0.643
  172    HG   CYS  20           HG       CYS  20  -9.364  -0.731   1.507
  173    H    SER  21           H        SER  21  -7.069   1.876  -1.965
  174    HA   SER  21           HA       SER  21  -8.517   3.351  -3.905
  175   1HB   SER  21          2HB       SER  21  -6.395   4.600  -4.114
  176   2HB   SER  21          1HB       SER  21  -6.729   4.213  -2.429
  177    HG   SER  21           HG       SER  21  -4.673   3.574  -2.707
  178    H    GLU  22           H        GLU  22  -6.150   0.759  -4.327
  179    HA   GLU  22           HA       GLU  22  -5.954   1.212  -7.236
  180   1HB   GLU  22          2HB       GLU  22  -4.708  -0.527  -5.156
  181   2HB   GLU  22          1HB       GLU  22  -4.563  -1.003  -6.845
  182   1HG   GLU  22          2HG       GLU  22  -3.815   1.733  -5.774
  183   2HG   GLU  22          1HG       GLU  22  -2.661   0.430  -6.057
  184    H    TYR  23           H        TYR  23  -7.737  -0.842  -5.020
  185    HA   TYR  23           HA       TYR  23  -8.533  -2.695  -7.203
  186   1HB   TYR  23          2HB       TYR  23  -8.623  -2.599  -4.218
  187   2HB   TYR  23          1HB       TYR  23  -9.818  -3.601  -5.041
  188    HD1  TYR  23           1HD      TYR  23  -9.242  -5.792  -5.584
  189    HD2  TYR  23           2HD      TYR  23  -6.141  -2.851  -5.159
  190    HE1  TYR  23           1HE      TYR  23  -7.529  -7.546  -5.953
  191    HE2  TYR  23           2HE      TYR  23  -4.427  -4.605  -5.528
  192    HH   TYR  23           HH       TYR  23  -4.625  -7.484  -5.111
  193    H    ARG  24           H        ARG  24  -9.929  -0.194  -5.100
  194    HA   ARG  24           HA       ARG  24 -12.663  -0.527  -5.466
  195   1HB   ARG  24          2HB       ARG  24 -10.886   1.900  -5.307
  196   2HB   ARG  24          1HB       ARG  24 -12.642   2.045  -5.393
  197   1HG   ARG  24          2HG       ARG  24 -12.960   0.870  -3.360
  198   2HG   ARG  24          1HG       ARG  24 -11.310   0.249  -3.368
  199   1HD   ARG  24          2HD       ARG  24 -10.391   2.317  -2.716
  200   2HD   ARG  24          1HD       ARG  24 -11.818   3.223  -3.257
  201    HE   ARG  24           HE       ARG  24 -11.781   1.435  -0.857
  202   1HH1  ARG  24          1HH2      ARG  24 -11.921   4.580  -1.093
  203   2HH1  ARG  24          2HH2      ARG  24 -13.576   4.818  -0.640
  204   1HH2  ARG  24          1HH1      ARG  24 -14.428   1.474  -0.988
  205   2HH2  ARG  24          2HH1      ARG  24 -14.995   3.059  -0.580
  206    HA   PRO  25           HA       PRO  25 -12.539   2.040  -9.606
  207   1HB   PRO  25          2HB       PRO  25 -10.153   1.934 -10.975
  208   2HB   PRO  25          1HB       PRO  25 -10.610   3.265  -9.890
  209   1HG   PRO  25          2HG       PRO  25  -8.913   0.868  -9.321
  210   2HG   PRO  25          1HG       PRO  25  -8.618   2.571  -8.922
  211   1HD   PRO  25          2HD       PRO  25  -9.524   0.918  -7.073
  212   2HD   PRO  25          1HD       PRO  25 -10.175   2.566  -7.177
  213    H    LYS  26           H        LYS  26 -10.658  -0.881  -9.095
  214    HA   LYS  26           HA       LYS  26 -11.194  -2.146 -11.650
  215   1HB   LYS  26          2HB       LYS  26  -9.469  -2.676  -9.772
  216   2HB   LYS  26          1HB       LYS  26 -10.812  -3.509  -8.983
  217   1HG   LYS  26          2HG       LYS  26 -10.150  -4.094 -11.861
  218   2HG   LYS  26          1HG       LYS  26  -9.247  -4.879 -10.566
  219   1HD   LYS  26          2HD       LYS  26 -11.531  -5.513  -9.577
  220   2HD   LYS  26          1HD       LYS  26 -12.209  -5.042 -11.135
  221   1HE   LYS  26          2HE       LYS  26 -10.868  -6.701 -12.295
  222   2HE   LYS  26          1HE       LYS  26  -9.987  -7.089 -10.804
  223   1HZ   LYS  26          1HZ       LYS  26 -12.075  -7.718  -9.768
  224   2HZ   LYS  26          2HZ       LYS  26 -11.811  -8.645 -11.168
  225   3HZ   LYS  26          3HZ       LYS  26 -12.921  -7.359 -11.193
  226    H    ILE  27           H        ILE  27 -12.674  -2.280  -8.427
  227    HA   ILE  27           HA       ILE  27 -14.759  -4.146  -8.914
  228    HB   ILE  27           HB       ILE  27 -14.667  -1.671  -7.144
  229   1HG1  ILE  27          2HG1      ILE  27 -12.780  -3.184  -6.706
  230   2HG1  ILE  27          1HG1      ILE  27 -13.925  -3.238  -5.376
  231   1HG2  ILE  27          1HG2      ILE  27 -16.290  -2.951  -5.729
  232   2HG2  ILE  27          2HG2      ILE  27 -16.410  -4.146  -7.020
  233   3HG2  ILE  27          3HG2      ILE  27 -16.941  -2.488  -7.302
  234   1HD1  ILE  27          1HD1      ILE  27 -13.314  -5.502  -5.866
  235   2HD1  ILE  27          2HD1      ILE  27 -13.588  -5.264  -7.592
  236   3HD1  ILE  27          3HD1      ILE  27 -14.953  -5.268  -6.474
  237    H    LYS  28           H        LYS  28 -14.461  -0.742  -9.754
  238    HA   LYS  28           HA       LYS  28 -17.295  -0.319 -10.231
  239   1HB   LYS  28          2HB       LYS  28 -15.090   1.332 -11.464
  240   2HB   LYS  28          1HB       LYS  28 -16.650   1.859 -10.852
  241   1HG   LYS  28          2HG       LYS  28 -14.147   1.199  -9.345
  242   2HG   LYS  28          1HG       LYS  28 -15.110   2.654  -9.258
  243   1HD   LYS  28          2HD       LYS  28 -15.787  -0.063  -8.080
  244   2HD   LYS  28          1HD       LYS  28 -15.418   1.416  -7.208
  245   1HE   LYS  28          2HE       LYS  28 -17.761   1.271  -9.126
  246   2HE   LYS  28          1HE       LYS  28 -17.914   0.837  -7.413
  247   1HZ   LYS  28          1HZ       LYS  28 -16.877   3.405  -8.489
  248   2HZ   LYS  28          2HZ       LYS  28 -16.896   2.978  -6.845
  249   3HZ   LYS  28          3HZ       LYS  28 -18.356   3.181  -7.691
  250    H    SER  29           H        SER  29 -14.531  -1.229 -12.249
  251    HA   SER  29           HA       SER  29 -15.805  -0.941 -14.805
  252   1HB   SER  29          2HB       SER  29 -13.348  -1.232 -14.261
  253   2HB   SER  29          1HB       SER  29 -13.682  -2.935 -13.959
  254    HG   SER  29           HG       SER  29 -13.010  -2.591 -16.106
  255    H    GLU  30           H        GLU  30 -16.129  -3.365 -12.305
  256    HA   GLU  30           HA       GLU  30 -17.730  -5.069 -14.189
  257   1HB   GLU  30          2HB       GLU  30 -15.640  -5.598 -12.159
  258   2HB   GLU  30          1HB       GLU  30 -17.004  -6.713 -12.131
  259   1HG   GLU  30          2HG       GLU  30 -15.612  -6.003 -14.713
  260   2HG   GLU  30          1HG       GLU  30 -15.025  -7.307 -13.680
  261    H    HIS  31           H        HIS  31 -17.881  -3.109 -11.380
  262    HA   HIS  31           HA       HIS  31 -20.581  -4.242 -10.759
  263   1HB   HIS  31          2HB       HIS  31 -18.585  -3.274  -8.685
  264   2HB   HIS  31          1HB       HIS  31 -20.126  -4.065  -8.388
  265    HD1  HIS  31           1HD      HIS  31 -16.593  -4.756  -9.381
  266    HD2  HIS  31           2HD      HIS  31 -20.132  -6.895  -8.861
  267    HE1  HIS  31           1HE      HIS  31 -15.953  -7.205  -9.375
  268    HA   PRO  32           HA       PRO  32 -20.895   0.259 -11.442
  269   1HB   PRO  32          2HB       PRO  32 -23.416   0.195 -12.504
  270   2HB   PRO  32          1HB       PRO  32 -21.955  -0.085 -13.460
  271   1HG   PRO  32          2HG       PRO  32 -23.924  -2.032 -12.417
  272   2HG   PRO  32          1HG       PRO  32 -22.980  -2.067 -13.913
  273   1HD   PRO  32          2HD       PRO  32 -22.400  -3.529 -11.648
  274   2HD   PRO  32          1HD       PRO  32 -21.236  -3.131 -12.929
  275    H    GLY  33           H        GLY  33 -23.204  -1.998 -10.027
  276   1HA   GLY  33          2HA       GLY  33 -24.667   0.038  -8.548
  277   2HA   GLY  33          1HA       GLY  33 -24.803  -1.706  -8.330
  278    H    LEU  34           H        LEU  34 -21.772  -1.827  -8.027
  279    HA   LEU  34           HA       LEU  34 -21.542  -1.943  -5.222
  280   1HB   LEU  34          2HB       LEU  34 -19.874  -2.097  -7.591
  281   2HB   LEU  34          1HB       LEU  34 -19.002  -1.288  -6.298
  282    HG   LEU  34           HG       LEU  34 -18.697  -3.780  -6.319
  283   1HD1  LEU  34          1HD1      LEU  34 -19.698  -2.176  -4.035
  284   2HD1  LEU  34          2HD1      LEU  34 -18.174  -3.042  -4.228
  285   3HD1  LEU  34          3HD1      LEU  34 -19.639  -3.922  -3.790
  286   1HD2  LEU  34          1HD2      LEU  34 -20.439  -5.253  -6.155
  287   2HD2  LEU  34          2HD2      LEU  34 -21.372  -3.917  -6.829
  288   3HD2  LEU  34          3HD2      LEU  34 -21.365  -4.196  -5.088
  289    H    SER  35           H        SER  35 -22.533   0.071  -4.408
  290    HA   SER  35           HA       SER  35 -21.315   2.670  -4.968
  291   1HB   SER  35          2HB       SER  35 -23.258   1.644  -2.874
  292   2HB   SER  35          1HB       SER  35 -22.862   3.345  -3.095
  293    HG   SER  35           HG       SER  35 -24.758   2.633  -4.247
  294    H    ILE  36           H        ILE  36 -20.494   3.985  -2.967
  295    HA   ILE  36           HA       ILE  36 -18.103   2.900  -1.939
  296    HB   ILE  36           HB       ILE  36 -19.959   5.020  -0.802
  297   1HG1  ILE  36          2HG1      ILE  36 -19.208   5.472  -3.112
  298   2HG1  ILE  36          1HG1      ILE  36 -18.446   6.588  -1.983
  299   1HG2  ILE  36          1HG2      ILE  36 -17.075   4.325  -0.183
  300   2HG2  ILE  36          2HG2      ILE  36 -18.430   4.405   0.943
  301   3HG2  ILE  36          3HG2      ILE  36 -17.793   5.885   0.225
  302   1HD1  ILE  36          1HD1      ILE  36 -16.456   5.014  -1.927
  303   2HD1  ILE  36          2HD1      ILE  36 -16.722   5.819  -3.474
  304   3HD1  ILE  36          3HD1      ILE  36 -17.207   4.136  -3.261
  305    H    GLY  37           H        GLY  37 -21.391   2.623  -0.699
  306   1HA   GLY  37          2HA       GLY  37 -20.798   1.712   1.937
  307   2HA   GLY  37          1HA       GLY  37 -22.276   1.331   1.050
  308    H    ASP  38           H        ASP  38 -21.865  -0.333  -0.801
  309    HA   ASP  38           HA       ASP  38 -20.866  -2.773   0.391
  310   1HB   ASP  38          2HB       ASP  38 -22.093  -1.835  -2.151
  311   2HB   ASP  38          1HB       ASP  38 -21.180  -3.342  -2.243
  312    H    THR  39           H        THR  39 -19.510  -0.407  -1.849
  313    HA   THR  39           HA       THR  39 -17.285  -1.970  -2.798
  314    HB   THR  39           HB       THR  39 -17.673   1.023  -2.455
  315    HG1  THR  39           1HG      THR  39 -18.413   0.921  -4.536
  316   1HG2  THR  39          1HG2      THR  39 -15.975   1.112  -4.342
  317   2HG2  THR  39          2HG2      THR  39 -15.644  -0.591  -4.018
  318   3HG2  THR  39          3HG2      THR  39 -15.327   0.622  -2.776
  319    H    ALA  40           H        ALA  40 -17.816  -0.032   0.097
  320    HA   ALA  40           HA       ALA  40 -15.028  -0.015   0.946
  321   1HB   ALA  40          1HB       ALA  40 -16.671   1.691   1.609
  322   2HB   ALA  40          2HB       ALA  40 -16.054   0.865   3.039
  323   3HB   ALA  40          3HB       ALA  40 -17.649   0.459   2.406
  324    H    LYS  41           H        LYS  41 -17.913  -1.933   1.818
  325    HA   LYS  41           HA       LYS  41 -16.338  -3.608   3.653
  326   1HB   LYS  41          2HB       LYS  41 -18.508  -4.595   4.171
  327   2HB   LYS  41          1HB       LYS  41 -18.648  -2.840   4.143
  328   1HG   LYS  41          2HG       LYS  41 -19.391  -3.115   1.691
  329   2HG   LYS  41          1HG       LYS  41 -19.579  -4.824   2.063
  330   1HD   LYS  41          2HD       LYS  41 -21.721  -3.764   2.408
  331   2HD   LYS  41          1HD       LYS  41 -21.059  -4.166   3.991
  332   1HE   LYS  41          2HE       LYS  41 -20.047  -1.604   3.495
  333   2HE   LYS  41          1HE       LYS  41 -21.714  -1.539   2.890
  334   1HZ   LYS  41          1HZ       LYS  41 -22.471  -2.552   4.948
  335   2HZ   LYS  41          2HZ       LYS  41 -21.638  -1.108   5.273
  336   3HZ   LYS  41          3HZ       LYS  41 -20.882  -2.607   5.536
  337    H    LYS  42           H        LYS  42 -17.093  -3.709   0.282
  338    HA   LYS  42           HA       LYS  42 -17.158  -6.620   0.024
  339   1HB   LYS  42          2HB       LYS  42 -18.269  -5.096  -1.562
  340   2HB   LYS  42          1HB       LYS  42 -16.717  -4.365  -1.966
  341   1HG   LYS  42          2HG       LYS  42 -17.369  -6.009  -3.674
  342   2HG   LYS  42          1HG       LYS  42 -15.924  -6.552  -2.818
  343   1HD   LYS  42          2HD       LYS  42 -17.001  -8.316  -1.843
  344   2HD   LYS  42          1HD       LYS  42 -18.499  -7.411  -1.628
  345   1HE   LYS  42          2HE       LYS  42 -19.344  -8.098  -3.642
  346   2HE   LYS  42          1HE       LYS  42 -17.765  -8.001  -4.447
  347   1HZ   LYS  42          1HZ       LYS  42 -18.612 -10.083  -2.500
  348   2HZ   LYS  42          2HZ       LYS  42 -17.067  -9.966  -3.197
  349   3HZ   LYS  42          3HZ       LYS  42 -18.418 -10.307  -4.171
  350    H    LEU  43           H        LEU  43 -14.777  -4.155  -1.053
  351    HA   LEU  43           HA       LEU  43 -12.662  -5.790  -1.833
  352   1HB   LEU  43          2HB       LEU  43 -12.715  -3.149  -0.350
  353   2HB   LEU  43          1HB       LEU  43 -11.248  -3.816  -1.068
  354    HG   LEU  43           HG       LEU  43 -13.766  -3.510  -2.697
  355   1HD1  LEU  43          1HD1      LEU  43 -11.585  -1.437  -2.309
  356   2HD1  LEU  43          2HD1      LEU  43 -13.239  -1.300  -1.711
  357   3HD1  LEU  43          3HD1      LEU  43 -12.927  -1.321  -3.447
  358   1HD2  LEU  43          1HD2      LEU  43 -12.043  -4.872  -3.698
  359   2HD2  LEU  43          2HD2      LEU  43 -10.797  -3.693  -3.285
  360   3HD2  LEU  43          3HD2      LEU  43 -12.006  -3.307  -4.511
  361    H    GLY  44           H        GLY  44 -13.711  -5.100   1.457
  362   1HA   GLY  44          2HA       GLY  44 -11.354  -5.986   2.831
  363   2HA   GLY  44          1HA       GLY  44 -12.974  -5.933   3.527
  364    H    GLU  45           H        GLU  45 -14.219  -7.677   1.618
  365    HA   GLU  45           HA       GLU  45 -13.994 -10.208   2.778
  366   1HB   GLU  45          2HB       GLU  45 -15.547  -9.092   0.919
  367   2HB   GLU  45          1HB       GLU  45 -14.484  -9.987  -0.168
  368   1HG   GLU  45          2HG       GLU  45 -16.293 -11.465   0.322
  369   2HG   GLU  45          1HG       GLU  45 -14.937 -12.033   1.297
  370    H    MET  46           H        MET  46 -12.037  -8.873   0.129
  371    HA   MET  46           HA       MET  46 -10.586 -11.424  -0.248
  372   1HB   MET  46          2HB       MET  46 -10.332  -8.652  -1.460
  373   2HB   MET  46          1HB       MET  46  -9.451 -10.074  -2.017
  374   1HG   MET  46          2HG       MET  46 -12.437 -10.219  -1.794
  375   2HG   MET  46          1HG       MET  46 -11.724  -9.388  -3.176
  376   1HE   MET  46          1HE       MET  46 -13.005 -13.123  -3.983
  377   2HE   MET  46          2HE       MET  46 -13.576 -11.509  -3.572
  378   3HE   MET  46          3HE       MET  46 -13.230 -12.666  -2.289
  379    H    TRP  47           H        TRP  47 -10.044  -8.180   1.073
  380    HA   TRP  47           HA       TRP  47  -7.228  -8.416   1.554
  381   1HB   TRP  47          2HB       TRP  47  -8.608  -6.329   1.531
  382   2HB   TRP  47          1HB       TRP  47  -9.320  -6.824   3.067
  383    HD1  TRP  47           HD       TRP  47  -8.078  -6.111   5.173
  384    HE1  TRP  47           1HE      TRP  47  -5.732  -5.179   5.699
  385    HE3  TRP  47           3HE      TRP  47  -5.935  -6.460   0.552
  386    HZ2  TRP  47           2HZ      TRP  47  -3.273  -4.651   4.338
  387    HZ3  TRP  47           3HZ      TRP  47  -3.591  -5.736   0.194
  388    HH2  TRP  47           HH       TRP  47  -2.259  -4.833   2.079
  389    H    SER  48           H        SER  48  -9.868 -10.008   3.127
  390    HA   SER  48           HA       SER  48  -8.336 -10.361   5.654
  391   1HB   SER  48          2HB       SER  48 -10.743  -9.694   5.640
  392   2HB   SER  48          1HB       SER  48 -11.131 -11.207   4.827
  393    HG   SER  48           HG       SER  48 -10.333 -10.718   7.455
  394    H    GLU  49           H        GLU  49  -9.834 -12.288   3.032
  395    HA   GLU  49           HA       GLU  49  -9.060 -14.854   4.063
  396   1HB   GLU  49          2HB       GLU  49  -9.658 -15.622   1.806
  397   2HB   GLU  49          1HB       GLU  49 -10.832 -14.441   2.379
  398   1HG   GLU  49          2HG       GLU  49  -9.501 -12.675   1.146
  399   2HG   GLU  49          1HG       GLU  49  -8.572 -13.982   0.419
  400    H    GLN  50           H        GLN  50  -7.367 -12.459   2.122
  401    HA   GLN  50           HA       GLN  50  -5.273 -14.052   1.034
  402   1HB   GLN  50          2HB       GLN  50  -4.075 -11.881   0.936
  403   2HB   GLN  50          1HB       GLN  50  -5.757 -11.708   0.438
  404   1HG   GLN  50          2HG       GLN  50  -6.366 -10.831   2.623
  405   2HG   GLN  50          1HG       GLN  50  -4.742 -11.134   3.238
  406   1HE2  GLN  50          1HE2      GLN  50  -5.671  -9.748   0.056
  407   2HE2  GLN  50          2HE2      GLN  50  -4.878  -8.267   0.298
  408    H    SER  51           H        SER  51  -3.169 -14.535   1.826
  409    HA   SER  51           HA       SER  51  -2.991 -14.765   4.780
  410   1HB   SER  51          2HB       SER  51  -2.601 -16.641   3.079
  411   2HB   SER  51          1HB       SER  51  -1.115 -15.803   2.639
  412    HG   SER  51           HG       SER  51  -1.143 -17.515   4.406
  413    H    ALA  52           H        ALA  52  -0.073 -14.829   4.782
  414    HA   ALA  52           HA       ALA  52   0.441 -11.927   4.915
  415   1HB   ALA  52          1HB       ALA  52   1.148 -13.436   6.709
  416   2HB   ALA  52          2HB       ALA  52   2.578 -12.757   5.930
  417   3HB   ALA  52          3HB       ALA  52   2.072 -14.406   5.562
  418    H    LYS  53           H        LYS  53   0.025 -12.512   2.264
  419    HA   LYS  53           HA       LYS  53   2.793 -12.508   1.105
  420   1HB   LYS  53          2HB       LYS  53   0.250 -13.924   0.340
  421   2HB   LYS  53          1HB       LYS  53   1.447 -13.548  -0.901
  422   1HG   LYS  53          2HG       LYS  53   3.168 -14.634   0.681
  423   2HG   LYS  53          1HG       LYS  53   1.774 -15.290   1.542
  424   1HD   LYS  53          2HD       LYS  53   0.994 -16.076  -0.823
  425   2HD   LYS  53          1HD       LYS  53   2.685 -15.846  -1.271
  426   1HE   LYS  53          2HE       LYS  53   2.723 -18.076  -0.563
  427   2HE   LYS  53          1HE       LYS  53   3.105 -17.250   0.961
  428   1HZ   LYS  53          1HZ       LYS  53   0.766 -17.208   1.509
  429   2HZ   LYS  53          2HZ       LYS  53   1.247 -18.811   1.215
  430   3HZ   LYS  53          3HZ       LYS  53   0.368 -17.955   0.040
  431    H    ASP  54           H        ASP  54  -0.613 -11.556   0.529
  432    HA   ASP  54           HA       ASP  54  -0.038  -9.698  -1.598
  433   1HB   ASP  54          2HB       ASP  54  -2.227 -10.851  -0.899
  434   2HB   ASP  54          1HB       ASP  54  -2.364  -9.593   0.329
  435    H    LYS  55           H        LYS  55  -0.132  -9.325   1.935
  436    HA   LYS  55           HA       LYS  55  -0.061  -6.403   1.833
  437   1HB   LYS  55          2HB       LYS  55   0.159  -8.568   3.916
  438   2HB   LYS  55          1HB       LYS  55   0.487  -6.888   4.343
  439   1HG   LYS  55          2HG       LYS  55  -1.701  -6.226   3.999
  440   2HG   LYS  55          1HG       LYS  55  -2.005  -7.484   2.801
  441   1HD   LYS  55          2HD       LYS  55  -3.230  -8.142   4.738
  442   2HD   LYS  55          1HD       LYS  55  -1.791  -9.162   4.721
  443   1HE   LYS  55          2HE       LYS  55  -0.692  -7.454   6.259
  444   2HE   LYS  55          1HE       LYS  55  -2.293  -6.710   6.434
  445   1HZ   LYS  55          1HZ       LYS  55  -1.950  -8.389   8.139
  446   2HZ   LYS  55          2HZ       LYS  55  -1.633  -9.562   6.951
  447   3HZ   LYS  55          3HZ       LYS  55  -3.181  -8.873   7.076
  448    H    GLN  56           H        GLN  56   2.321  -8.998   2.347
  449    HA   GLN  56           HA       GLN  56   4.563  -7.718   3.290
  450   1HB   GLN  56          2HB       GLN  56   3.985  -9.923   1.409
  451   2HB   GLN  56          1HB       GLN  56   5.633  -9.298   1.337
  452   1HG   GLN  56          2HG       GLN  56   5.454  -9.444   3.978
  453   2HG   GLN  56          1HG       GLN  56   4.213 -10.640   3.607
  454   1HE2  GLN  56          1HE2      GLN  56   4.893 -12.543   2.282
  455   2HE2  GLN  56          2HE2      GLN  56   6.524 -13.013   2.261
  456    HA   PRO  57           HA       PRO  57   5.957  -6.002  -0.925
  457   1HB   PRO  57          2HB       PRO  57   4.333  -6.211  -3.102
  458   2HB   PRO  57          1HB       PRO  57   5.491  -7.474  -2.640
  459   1HG   PRO  57          2HG       PRO  57   2.560  -7.351  -2.219
  460   2HG   PRO  57          1HG       PRO  57   3.582  -8.740  -2.612
  461   1HD   PRO  57          2HD       PRO  57   2.608  -8.193  -0.105
  462   2HD   PRO  57          1HD       PRO  57   4.072  -9.147  -0.426
  463    H    TYR  58           H        TYR  58   2.434  -5.785  -0.514
  464    HA   TYR  58           HA       TYR  58   2.292  -3.032  -1.499
  465   1HB   TYR  58          2HB       TYR  58   0.566  -5.246  -0.923
  466   2HB   TYR  58          1HB       TYR  58  -0.032  -3.854  -0.027
  467    HD1  TYR  58           1HD      TYR  58   1.247  -4.790  -3.424
  468    HD2  TYR  58           2HD      TYR  58  -1.378  -2.283  -1.128
  469    HE1  TYR  58           1HE      TYR  58   0.305  -3.857  -5.520
  470    HE2  TYR  58           2HE      TYR  58  -2.320  -1.351  -3.224
  471    HH   TYR  58           HH       TYR  58  -1.024  -1.308  -5.961
  472    H    GLU  59           H        GLU  59   3.181  -4.360   1.525
  473    HA   GLU  59           HA       GLU  59   2.077  -2.140   3.130
  474   1HB   GLU  59          2HB       GLU  59   3.028  -3.407   4.996
  475   2HB   GLU  59          1HB       GLU  59   2.166  -4.501   3.918
  476   1HG   GLU  59          2HG       GLU  59   4.038  -5.733   3.704
  477   2HG   GLU  59          1HG       GLU  59   4.837  -4.354   2.954
  478    H    GLN  60           H        GLN  60   5.098  -2.956   1.567
  479    HA   GLN  60           HA       GLN  60   6.737  -1.122   3.144
  480   1HB   GLN  60          2HB       GLN  60   8.435  -1.703   1.423
  481   2HB   GLN  60          1HB       GLN  60   7.648  -3.135   2.083
  482   1HG   GLN  60          2HG       GLN  60   6.376  -3.484   0.145
  483   2HG   GLN  60          1HG       GLN  60   6.574  -1.821  -0.405
  484   1HE2  GLN  60          1HE2      GLN  60   9.190  -1.314  -0.544
  485   2HE2  GLN  60          2HE2      GLN  60  10.039  -2.469  -1.452
  486    H    LYS  61           H        LYS  61   4.672  -0.827   0.357
  487    HA   LYS  61           HA       LYS  61   5.850   1.412  -0.963
  488   1HB   LYS  61          2HB       LYS  61   4.045   0.030  -1.889
  489   2HB   LYS  61          1HB       LYS  61   2.959   0.545  -0.601
  490   1HG   LYS  61          2HG       LYS  61   2.766   2.719  -1.457
  491   2HG   LYS  61          1HG       LYS  61   4.255   2.587  -2.393
  492   1HD   LYS  61          2HD       LYS  61   3.147   0.883  -3.841
  493   2HD   LYS  61          1HD       LYS  61   1.647   1.143  -2.948
  494   1HE   LYS  61          2HE       LYS  61   1.287   2.676  -4.643
  495   2HE   LYS  61          1HE       LYS  61   2.255   3.715  -3.578
  496   1HZ   LYS  61          1HZ       LYS  61   3.194   3.651  -5.813
  497   2HZ   LYS  61          2HZ       LYS  61   3.327   1.959  -5.726
  498   3HZ   LYS  61          3HZ       LYS  61   4.254   2.942  -4.695
  499    H    ALA  62           H        ALA  62   3.322   1.353   1.592
  500    HA   ALA  62           HA       ALA  62   3.355   4.263   1.865
  501   1HB   ALA  62          1HB       ALA  62   2.171   1.972   3.467
  502   2HB   ALA  62          2HB       ALA  62   1.336   2.988   2.291
  503   3HB   ALA  62          3HB       ALA  62   1.865   3.670   3.828
  504    H    ALA  63           H        ALA  63   5.390   1.747   3.008
  505    HA   ALA  63           HA       ALA  63   6.080   2.756   5.612
  506   1HB   ALA  63          1HB       ALA  63   8.028   1.276   5.318
  507   2HB   ALA  63          2HB       ALA  63   7.723   1.195   3.584
  508   3HB   ALA  63          3HB       ALA  63   6.576   0.477   4.715
  509    H    LYS  64           H        LYS  64   6.980   3.697   2.327
  510    HA   LYS  64           HA       LYS  64   9.309   5.275   3.131
  511   1HB   LYS  64          2HB       LYS  64   9.217   4.280   0.946
  512   2HB   LYS  64          1HB       LYS  64   7.612   4.931   0.660
  513   1HG   LYS  64          2HG       LYS  64   8.454   6.842  -0.171
  514   2HG   LYS  64          1HG       LYS  64   9.454   7.081   1.263
  515   1HD   LYS  64          2HD       LYS  64  10.929   6.902  -0.652
  516   2HD   LYS  64          1HD       LYS  64  11.094   5.431   0.311
  517   1HE   LYS  64          2HE       LYS  64   9.741   4.165  -1.214
  518   2HE   LYS  64          1HE       LYS  64   9.202   5.632  -2.055
  519   1HZ   LYS  64          1HZ       LYS  64  11.531   6.088  -2.617
  520   2HZ   LYS  64          2HZ       LYS  64  11.005   4.614  -3.276
  521   3HZ   LYS  64          3HZ       LYS  64  11.995   4.625  -1.896
  522    H    LEU  65           H        LEU  65   6.234   6.191   1.579
  523    HA   LEU  65           HA       LEU  65   6.144   8.899   1.893
  524   1HB   LEU  65          2HB       LEU  65   4.072   6.741   2.111
  525   2HB   LEU  65          1HB       LEU  65   3.594   8.430   2.282
  526    HG   LEU  65           HG       LEU  65   5.162   8.624   0.083
  527   1HD1  LEU  65          1HD1      LEU  65   5.715   6.406  -0.352
  528   2HD1  LEU  65          2HD1      LEU  65   4.248   6.576  -1.314
  529   3HD1  LEU  65          3HD1      LEU  65   4.181   5.795   0.265
  530   1HD2  LEU  65          1HD2      LEU  65   2.231   7.869   0.261
  531   2HD2  LEU  65          2HD2      LEU  65   2.999   8.430  -1.225
  532   3HD2  LEU  65          3HD2      LEU  65   2.914   9.494   0.179
  533    H    LYS  66           H        LYS  66   5.996   6.697   4.662
  534    HA   LYS  66           HA       LYS  66   4.712   8.541   6.496
  535   1HB   LYS  66          2HB       LYS  66   5.179   5.943   6.564
  536   2HB   LYS  66          1HB       LYS  66   6.715   6.433   7.277
  537   1HG   LYS  66          2HG       LYS  66   5.559   7.642   9.049
  538   2HG   LYS  66          1HG       LYS  66   3.997   7.295   8.306
  539   1HD   LYS  66          2HD       LYS  66   4.146   4.983   8.799
  540   2HD   LYS  66          1HD       LYS  66   5.879   5.079   9.114
  541   1HE   LYS  66          2HE       LYS  66   5.372   6.557  11.095
  542   2HE   LYS  66          1HE       LYS  66   3.649   6.222  10.830
  543   1HZ   LYS  66          1HZ       LYS  66   4.547   4.604  12.357
  544   2HZ   LYS  66          2HZ       LYS  66   5.791   4.207  11.270
  545   3HZ   LYS  66          3HZ       LYS  66   4.178   3.837  10.891
  546    H    GLU  67           H        GLU  67   8.011   7.927   5.418
  547    HA   GLU  67           HA       GLU  67   9.220   9.759   7.382
  548   1HB   GLU  67          2HB       GLU  67  10.117   7.971   5.136
  549   2HB   GLU  67          1HB       GLU  67  11.233   9.165   5.799
  550   1HG   GLU  67          2HG       GLU  67  10.836   8.239   8.072
  551   2HG   GLU  67          1HG       GLU  67   9.793   7.005   7.366
  552    H    LYS  68           H        LYS  68   7.583  10.167   4.439
  553    HA   LYS  68           HA       LYS  68   9.191  12.553   3.638
  554   1HB   LYS  68          2HB       LYS  68   8.163  10.481   2.198
  555   2HB   LYS  68          1HB       LYS  68   6.828  11.629   2.086
  556   1HG   LYS  68          2HG       LYS  68   8.202  12.166   0.236
  557   2HG   LYS  68          1HG       LYS  68   8.630  13.370   1.453
  558   1HD   LYS  68          2HD       LYS  68  10.648  12.265   2.004
  559   2HD   LYS  68          1HD       LYS  68  10.141  10.768   1.220
  560   1HE   LYS  68          2HE       LYS  68  10.337  11.774  -0.981
  561   2HE   LYS  68          1HE       LYS  68  10.647  13.370  -0.267
  562   1HZ   LYS  68          1HZ       LYS  68  12.603  12.488   0.819
  563   2HZ   LYS  68          2HZ       LYS  68  12.718  12.227  -0.856
  564   3HZ   LYS  68          3HZ       LYS  68  12.307  10.945   0.179
  565    H    TYR  69           H        TYR  69   5.963  11.478   4.602
  566    HA   TYR  69           HA       TYR  69   4.726  14.118   4.454
  567   1HB   TYR  69          2HB       TYR  69   3.513  11.963   4.219
  568   2HB   TYR  69          1HB       TYR  69   3.952  11.539   5.872
  569    HD1  TYR  69           1HD      TYR  69   1.582  13.233   3.782
  570    HD2  TYR  69           2HD      TYR  69   3.186  13.126   7.761
  571    HE1  TYR  69           1HE      TYR  69  -0.410  14.452   4.615
  572    HE2  TYR  69           2HE      TYR  69   1.195  14.345   8.597
  573    HH   TYR  69           HH       TYR  69  -1.486  14.506   7.424
  574    H    GLU  70           H        GLU  70   5.577  11.962   7.178
  575    HA   GLU  70           HA       GLU  70   5.127  13.799   9.295
  576   1HB   GLU  70          2HB       GLU  70   7.052  11.486   8.945
  577   2HB   GLU  70          1HB       GLU  70   6.763  12.272  10.497
  578   1HG   GLU  70          2HG       GLU  70   4.228  11.842   9.897
  579   2HG   GLU  70          1HG       GLU  70   4.902  10.591   8.852
  580    H    LYS  71           H        LYS  71   7.751  13.707   6.990
  581    HA   LYS  71           HA       LYS  71   9.462  15.455   8.687
  582   1HB   LYS  71          2HB       LYS  71   9.751  13.694   6.297
  583   2HB   LYS  71          1HB       LYS  71  10.870  15.051   6.436
  584   1HG   LYS  71          2HG       LYS  71  11.200  14.234   8.885
  585   2HG   LYS  71          1HG       LYS  71  10.497  12.722   8.309
  586   1HD   LYS  71          2HD       LYS  71  12.250  12.996   6.359
  587   2HD   LYS  71          1HD       LYS  71  13.082  14.026   7.524
  588   1HE   LYS  71          2HE       LYS  71  13.023  12.169   9.185
  589   2HE   LYS  71          1HE       LYS  71  12.268  11.129   7.959
  590   1HZ   LYS  71          1HZ       LYS  71  14.846  12.566   7.608
  591   2HZ   LYS  71          2HZ       LYS  71  14.127  11.500   6.498
  592   3HZ   LYS  71          3HZ       LYS  71  14.708  10.919   7.985
  593    H    ASP  72           H        ASP  72   7.356  15.598   5.884
  594    HA   ASP  72           HA       ASP  72   8.352  18.329   5.200
  595   1HB   ASP  72          2HB       ASP  72   8.120  16.462   3.506
  596   2HB   ASP  72          1HB       ASP  72   6.375  16.543   3.756
  597    H    ILE  73           H        ILE  73   5.474  16.605   6.338
  598    HA   ILE  73           HA       ILE  73   3.610  18.771   6.004
  599    HB   ILE  73           HB       ILE  73   3.194  16.276   6.358
  600   1HG1  ILE  73          2HG1      ILE  73   1.214  16.887   8.048
  601   2HG1  ILE  73          1HG1      ILE  73   1.740  18.527   7.665
  602   1HG2  ILE  73          1HG2      ILE  73   4.705  16.293   8.482
  603   2HG2  ILE  73          2HG2      ILE  73   3.231  15.327   8.507
  604   3HG2  ILE  73          3HG2      ILE  73   3.268  16.899   9.304
  605   1HD1  ILE  73          1HD1      ILE  73   1.254  16.493   5.489
  606   2HD1  ILE  73          2HD1      ILE  73   1.314  18.251   5.354
  607   3HD1  ILE  73          3HD1      ILE  73  -0.061  17.474   6.137
  608    H    ALA  74           H        ALA  74   5.847  17.912   8.603
  609    HA   ALA  74           HA       ALA  74   4.887  19.535  10.713
  610   1HB   ALA  74          1HB       ALA  74   6.690  17.912  10.945
  611   2HB   ALA  74          2HB       ALA  74   7.302  19.499  11.415
  612   3HB   ALA  74          3HB       ALA  74   7.706  18.832   9.834
  613    H    ALA  75           H        ALA  75   7.065  20.410   8.022
  614    HA   ALA  75           HA       ALA  75   7.157  23.234   8.898
  615   1HB   ALA  75          1HB       ALA  75   9.126  21.962   8.021
  616   2HB   ALA  75          2HB       ALA  75   8.777  23.408   7.072
  617   3HB   ALA  75          3HB       ALA  75   8.301  21.820   6.467
  618    H    TYR  76           H        TYR  76   5.369  21.234   6.668
  619    HA   TYR  76           HA       TYR  76   4.586  23.345   4.824
  620   1HB   TYR  76          2HB       TYR  76   4.664  20.869   4.371
  621   2HB   TYR  76          1HB       TYR  76   3.278  20.676   5.447
  622    HD1  TYR  76           1HD      TYR  76   1.060  21.383   4.789
  623    HD2  TYR  76           2HD      TYR  76   4.441  22.111   2.241
  624    HE1  TYR  76           1HE      TYR  76  -0.469  21.972   2.927
  625    HE2  TYR  76           2HE      TYR  76   2.912  22.701   0.380
  626    HH   TYR  76           HH       TYR  76  -0.280  21.940   0.313
  627    H    ARG  77           H        ARG  77   3.292  22.021   7.832
  628    HA   ARG  77           HA       ARG  77   0.707  23.363   7.603
  629   1HB   ARG  77          2HB       ARG  77   2.224  21.840   9.724
  630   2HB   ARG  77          1HB       ARG  77   0.675  22.604  10.087
  631   1HG   ARG  77          2HG       ARG  77  -0.332  21.361   8.161
  632   2HG   ARG  77          1HG       ARG  77   1.203  20.517   7.952
  633   1HD   ARG  77          2HD       ARG  77   0.132  18.998   9.347
  634   2HD   ARG  77          1HD       ARG  77   0.842  20.057  10.585
  635    HE   ARG  77           HE       ARG  77  -1.868  20.698   9.515
  636   1HH1  ARG  77          1HH1      ARG  77  -0.255  21.919  11.907
  637   2HH1  ARG  77          2HH1      ARG  77  -1.175  21.283  13.231
  638   1HH2  ARG  77          1HH2      ARG  77  -2.848  18.947  11.290
  639   2HH2  ARG  77          2HH2      ARG  77  -2.643  19.600  12.881
  640    H    ALA  78           H        ALA  78   2.819  23.733  10.449
  641    HA   ALA  78           HA       ALA  78   2.849  26.692  10.022
  642   1HB   ALA  78          1HB       ALA  78   0.939  25.797  11.466
  643   2HB   ALA  78          2HB       ALA  78   1.966  27.003  12.240
  644   3HB   ALA  78          3HB       ALA  78   2.169  25.294  12.626
  645    H    LYS  79           H        LYS  79   3.974  26.818  12.888
  646    HA   LYS  79           HA       LYS  79   6.124  26.873  13.851
  647   1HB   LYS  79          2HB       LYS  79   6.210  24.231  12.394
  648   2HB   LYS  79          1HB       LYS  79   7.294  24.695  13.699
  649   1HG   LYS  79          2HG       LYS  79   5.697  24.401  15.310
  650   2HG   LYS  79          1HG       LYS  79   4.394  24.977  14.269
  651   1HD   LYS  79          2HD       LYS  79   5.754  22.301  13.870
  652   2HD   LYS  79          1HD       LYS  79   4.300  22.501  14.847
  653   1HE   LYS  79          2HE       LYS  79   3.121  23.466  12.883
  654   2HE   LYS  79          1HE       LYS  79   4.575  23.197  11.900
  655   1HZ   LYS  79          1HZ       LYS  79   4.490  20.870  12.371
  656   2HZ   LYS  79          2HZ       LYS  79   2.957  21.333  11.801
  657   3HZ   LYS  79          3HZ       LYS  79   3.207  21.072  13.463
  Start of MODEL   22
    1   1H    MET   1          1HT       MET   1 -11.641  24.472   6.548
    2   2H    MET   1          2HT       MET   1 -10.655  23.334   5.762
    3   3H    MET   1          3HT       MET   1 -10.550  23.534   7.446
    4    HA   MET   1           HA       MET   1 -12.807  22.686   7.717
    5   1HB   MET   1          2HB       MET   1 -13.168  23.655   5.265
    6   2HB   MET   1          1HB       MET   1 -12.781  21.997   4.801
    7   1HG   MET   1          2HG       MET   1 -14.789  22.493   6.978
    8   2HG   MET   1          1HG       MET   1 -15.278  22.649   5.291
    9   1HE   MET   1          1HE       MET   1 -16.976  21.116   6.017
   10   2HE   MET   1          2HE       MET   1 -16.868  19.367   5.842
   11   3HE   MET   1          3HE       MET   1 -16.643  20.401   4.434
   12    H    LYS   2           H        LYS   2 -11.194  21.286   8.803
   13    HA   LYS   2           HA       LYS   2 -10.080  19.232   9.150
   14   1HB   LYS   2          2HB       LYS   2 -12.349  18.753   7.264
   15   2HB   LYS   2          1HB       LYS   2 -11.212  17.429   7.525
   16   1HG   LYS   2          2HG       LYS   2 -12.941  17.172   9.167
   17   2HG   LYS   2          1HG       LYS   2 -11.530  17.798  10.019
   18   1HD   LYS   2          2HD       LYS   2 -12.438  19.961  10.195
   19   2HD   LYS   2          1HD       LYS   2 -13.599  19.679   8.898
   20   1HE   LYS   2          2HE       LYS   2 -14.286  17.727  10.732
   21   2HE   LYS   2          1HE       LYS   2 -13.825  19.095  11.764
   22   1HZ   LYS   2          1HZ       LYS   2 -16.140  19.281  11.076
   23   2HZ   LYS   2          2HZ       LYS   2 -15.677  19.223   9.442
   24   3HZ   LYS   2          3HZ       LYS   2 -15.216  20.540  10.412
   25    H    LYS   3           H        LYS   3  -8.214  20.489   7.999
   26    HA   LYS   3           HA       LYS   3  -6.938  18.712   6.112
   27   1HB   LYS   3          2HB       LYS   3  -8.775  20.389   4.990
   28   2HB   LYS   3          1HB       LYS   3  -7.324  21.386   4.891
   29   1HG   LYS   3          2HG       LYS   3  -6.178  19.270   3.934
   30   2HG   LYS   3          1HG       LYS   3  -7.818  18.669   3.679
   31   1HD   LYS   3          2HD       LYS   3  -7.320  19.741   1.643
   32   2HD   LYS   3          1HD       LYS   3  -8.240  20.961   2.525
   33   1HE   LYS   3          2HE       LYS   3  -6.240  22.147   3.148
   34   2HE   LYS   3          1HE       LYS   3  -5.208  20.823   2.571
   35   1HZ   LYS   3          1HZ       LYS   3  -7.093  22.389   0.888
   36   2HZ   LYS   3          2HZ       LYS   3  -6.087  21.130   0.350
   37   3HZ   LYS   3          3HZ       LYS   3  -5.409  22.586   0.905
   38    H    LYS   4           H        LYS   4  -5.181  20.667   4.962
   39    HA   LYS   4           HA       LYS   4  -4.069  22.262   7.148
   40   1HB   LYS   4          2HB       LYS   4  -3.168  19.578   6.390
   41   2HB   LYS   4          1HB       LYS   4  -1.867  20.763   6.324
   42   1HG   LYS   4          2HG       LYS   4  -2.106  21.328   8.607
   43   2HG   LYS   4          1HG       LYS   4  -3.708  20.596   8.708
   44   1HD   LYS   4          2HD       LYS   4  -2.188  19.077   9.781
   45   2HD   LYS   4          1HD       LYS   4  -2.600  18.365   8.221
   46   1HE   LYS   4          2HE       LYS   4  -0.470  19.670   7.373
   47   2HE   LYS   4          1HE       LYS   4  -0.018  19.637   9.090
   48   1HZ   LYS   4          1HZ       LYS   4   0.744  17.634   7.952
   49   2HZ   LYS   4          2HZ       LYS   4  -0.849  17.282   7.475
   50   3HZ   LYS   4          3HZ       LYS   4  -0.427  17.256   9.120
   51    H    ASP   5           H        ASP   5  -1.556  22.693   6.046
   52    HA   ASP   5           HA       ASP   5  -2.110  24.526   3.891
   53   1HB   ASP   5          2HB       ASP   5   0.164  23.520   5.483
   54   2HB   ASP   5          1HB       ASP   5   0.604  24.116   3.882
   55    HA   PRO   6           HA       PRO   6  -1.812  21.678   0.499
   56   1HB   PRO   6          2HB       PRO   6  -1.263  23.427  -1.527
   57   2HB   PRO   6          1HB       PRO   6  -2.874  23.271  -0.798
   58   1HG   PRO   6          2HG       PRO   6  -0.782  25.335  -0.348
   59   2HG   PRO   6          1HG       PRO   6  -2.543  25.505  -0.415
   60   1HD   PRO   6          2HD       PRO   6  -1.095  25.453   1.909
   61   2HD   PRO   6          1HD       PRO   6  -2.803  24.978   1.789
   62    H    ASN   7           H        ASN   7   0.801  23.796   1.416
   63    HA   ASN   7           HA       ASN   7   2.763  22.648  -0.446
   64   1HB   ASN   7          2HB       ASN   7   2.681  24.670   1.772
   65   2HB   ASN   7          1HB       ASN   7   4.245  24.061   1.229
   66   1HD2  ASN   7          1HD2      ASN   7   4.694  24.290  -1.179
   67   2HD2  ASN   7          2HD2      ASN   7   3.995  25.594  -2.011
   68    H    ALA   8           H        ALA   8   1.680  22.099   2.859
   69    HA   ALA   8           HA       ALA   8   3.996  20.357   3.477
   70   1HB   ALA   8          1HB       ALA   8   3.209  21.841   5.203
   71   2HB   ALA   8          2HB       ALA   8   2.721  20.214   5.678
   72   3HB   ALA   8          3HB       ALA   8   1.541  21.317   4.972
   73    HA   PRO   9           HA       PRO   9   1.852  16.658   2.369
   74   1HB   PRO   9          2HB       PRO   9   2.958  14.856   4.100
   75   2HB   PRO   9          1HB       PRO   9   3.835  15.516   2.706
   76   1HG   PRO   9          2HG       PRO   9   4.012  16.260   5.578
   77   2HG   PRO   9          1HG       PRO   9   5.290  16.151   4.359
   78   1HD   PRO   9          2HD       PRO   9   4.175  18.505   5.189
   79   2HD   PRO   9          1HD       PRO   9   4.917  18.268   3.592
   80    H    LYS  10           H        LYS  10  -0.147  15.859   2.933
   81    HA   LYS  10           HA       LYS  10  -0.892  15.645   5.783
   82   1HB   LYS  10          2HB       LYS  10  -2.963  16.930   5.318
   83   2HB   LYS  10          1HB       LYS  10  -1.519  17.888   4.996
   84   1HG   LYS  10          2HG       LYS  10  -1.932  16.666   2.563
   85   2HG   LYS  10          1HG       LYS  10  -3.584  16.927   3.127
   86   1HD   LYS  10          2HD       LYS  10  -2.957  19.323   3.611
   87   2HD   LYS  10          1HD       LYS  10  -1.412  19.016   2.816
   88   1HE   LYS  10          2HE       LYS  10  -4.054  18.452   1.442
   89   2HE   LYS  10          1HE       LYS  10  -3.235  20.023   1.321
   90   1HZ   LYS  10          1HZ       LYS  10  -2.518  18.531  -0.452
   91   2HZ   LYS  10          2HZ       LYS  10  -2.014  17.385   0.697
   92   3HZ   LYS  10          3HZ       LYS  10  -1.231  18.889   0.592
   93    H    ARG  11           H        ARG  11  -0.344  13.718   3.621
   94    HA   ARG  11           HA       ARG  11  -2.889  12.185   3.790
   95   1HB   ARG  11          2HB       ARG  11  -1.442  13.122   1.309
   96   2HB   ARG  11          1HB       ARG  11  -2.525  11.729   1.266
   97   1HG   ARG  11          2HG       ARG  11  -4.339  13.148   2.211
   98   2HG   ARG  11          1HG       ARG  11  -3.251  14.535   2.154
   99   1HD   ARG  11          2HD       ARG  11  -3.153  14.485  -0.240
  100   2HD   ARG  11          1HD       ARG  11  -3.919  12.885  -0.303
  101    HE   ARG  11           HE       ARG  11  -5.390  15.201   0.881
  102   1HH1  ARG  11          1HH1      ARG  11  -5.553  15.083  -2.101
  103   2HH1  ARG  11          2HH1      ARG  11  -6.958  14.101  -2.353
  104   1HH2  ARG  11          1HH2      ARG  11  -6.999  12.861   0.884
  105   2HH2  ARG  11          2HH2      ARG  11  -7.776  12.844  -0.663
  106    HA   PRO  12           HA       PRO  12   1.038   9.705   4.211
  107   1HB   PRO  12          2HB       PRO  12   0.625   8.754   6.736
  108   2HB   PRO  12          1HB       PRO  12   1.454  10.287   6.403
  109   1HG   PRO  12          2HG       PRO  12  -1.310   9.797   7.344
  110   2HG   PRO  12          1HG       PRO  12  -0.206  11.128   7.708
  111   1HD   PRO  12          2HD       PRO  12  -2.318  11.253   5.924
  112   2HD   PRO  12          1HD       PRO  12  -0.931  12.363   5.952
  113    HA   PRO  13           HA       PRO  13  -1.757   6.289   3.295
  114   1HB   PRO  13          2HB       PRO  13   0.034   4.748   1.923
  115   2HB   PRO  13          1HB       PRO  13  -0.773   6.154   1.205
  116   1HG   PRO  13          2HG       PRO  13   2.002   5.857   2.145
  117   2HG   PRO  13          1HG       PRO  13   1.338   6.913   0.895
  118   1HD   PRO  13          2HD       PRO  13   2.050   7.652   3.511
  119   2HD   PRO  13          1HD       PRO  13   1.124   8.628   2.353
  120    H    SER  14           H        SER  14  -1.469   3.751   3.606
  121    HA   SER  14           HA       SER  14   0.570   2.890   5.510
  122   1HB   SER  14          2HB       SER  14  -0.824   2.795   7.456
  123   2HB   SER  14          1HB       SER  14  -1.060   4.401   6.773
  124    HG   SER  14           HG       SER  14  -3.085   3.723   6.997
  125    H    ALA  15           H        ALA  15   0.023   1.622   3.163
  126    HA   ALA  15           HA       ALA  15  -0.416  -0.497   2.313
  127   1HB   ALA  15          1HB       ALA  15  -0.248  -0.818   5.147
  128   2HB   ALA  15          2HB       ALA  15   0.007  -2.040   3.904
  129   3HB   ALA  15          3HB       ALA  15  -1.600  -1.802   4.586
  130    H    PHE  16           H        PHE  16  -3.080  -0.507   4.731
  131    HA   PHE  16           HA       PHE  16  -5.123  -1.360   3.063
  132   1HB   PHE  16          2HB       PHE  16  -4.949  -0.728   5.612
  133   2HB   PHE  16          1HB       PHE  16  -5.603   0.820   5.076
  134    HD1  PHE  16           1HD      PHE  16  -7.762   0.819   3.703
  135    HD2  PHE  16           2HD      PHE  16  -6.359  -2.612   5.874
  136    HE1  PHE  16           1HE      PHE  16 -10.037  -0.165   3.617
  137    HE2  PHE  16           2HE      PHE  16  -8.635  -3.595   5.788
  138    HZ   PHE  16           HZ       PHE  16 -10.473  -2.372   4.660
  139    H    PHE  17           H        PHE  17  -4.326   2.075   3.702
  140    HA   PHE  17           HA       PHE  17  -6.239   3.289   2.008
  141   1HB   PHE  17          2HB       PHE  17  -4.360   4.161   3.682
  142   2HB   PHE  17          1HB       PHE  17  -3.450   4.370   2.187
  143    HD1  PHE  17           1HD      PHE  17  -4.636   5.624   0.247
  144    HD2  PHE  17           2HD      PHE  17  -5.932   5.779   4.339
  145    HE1  PHE  17           1HE      PHE  17  -5.894   7.708  -0.231
  146    HE2  PHE  17           2HE      PHE  17  -7.191   7.863   3.861
  147    HZ   PHE  17           HZ       PHE  17  -7.170   8.827   1.576
  148    H    LEU  18           H        LEU  18  -3.216   1.668   1.197
  149    HA   LEU  18           HA       LEU  18  -3.179   2.655  -1.574
  150   1HB   LEU  18          2HB       LEU  18  -1.597   0.383  -0.334
  151   2HB   LEU  18          1HB       LEU  18  -1.149   1.364  -1.723
  152    HG   LEU  18           HG       LEU  18  -1.327   2.294   1.161
  153   1HD1  LEU  18          1HD1      LEU  18   0.899   1.607  -0.731
  154   2HD1  LEU  18          2HD1      LEU  18   0.716   1.191   0.972
  155   3HD1  LEU  18          3HD1      LEU  18   1.163   2.833   0.508
  156   1HD2  LEU  18          1HD2      LEU  18  -1.924   4.237   0.023
  157   2HD2  LEU  18          2HD2      LEU  18  -1.068   3.763  -1.444
  158   3HD2  LEU  18          3HD2      LEU  18  -0.167   4.361  -0.051
  159    H    PHE  19           H        PHE  19  -4.414  -0.123   0.184
  160    HA   PHE  19           HA       PHE  19  -4.689  -1.844  -2.170
  161   1HB   PHE  19          2HB       PHE  19  -4.303  -2.645   0.148
  162   2HB   PHE  19          1HB       PHE  19  -5.859  -1.974   0.629
  163    HD1  PHE  19           1HD      PHE  19  -7.909  -3.104   0.146
  164    HD2  PHE  19           2HD      PHE  19  -4.214  -4.511  -1.531
  165    HE1  PHE  19           1HE      PHE  19  -9.040  -5.182  -0.599
  166    HE2  PHE  19           2HE      PHE  19  -5.345  -6.589  -2.278
  167    HZ   PHE  19           HZ       PHE  19  -7.757  -6.925  -1.810
  168    H    CYS  20           H        CYS  20  -7.078  -0.312   0.031
  169    HA   CYS  20           HA       CYS  20  -9.386  -0.862  -1.552
  170   1HB   CYS  20          2HB       CYS  20  -8.928   0.112   0.897
  171   2HB   CYS  20          1HB       CYS  20  -9.179   1.648   0.067
  172    HG   CYS  20           HG       CYS  20 -11.361  -0.474  -0.441
  173    H    SER  21           H        SER  21  -7.389   2.099  -1.387
  174    HA   SER  21           HA       SER  21  -8.781   3.660  -3.302
  175   1HB   SER  21          2HB       SER  21  -6.975   4.403  -1.752
  176   2HB   SER  21          1HB       SER  21  -5.802   3.528  -2.733
  177    HG   SER  21           HG       SER  21  -6.311   4.873  -4.461
  178    H    GLU  22           H        GLU  22  -6.697   0.890  -3.788
  179    HA   GLU  22           HA       GLU  22  -6.517   1.476  -6.712
  180   1HB   GLU  22          2HB       GLU  22  -4.957  -0.099  -4.709
  181   2HB   GLU  22          1HB       GLU  22  -4.836  -0.528  -6.413
  182   1HG   GLU  22          2HG       GLU  22  -4.380   2.261  -5.313
  183   2HG   GLU  22          1HG       GLU  22  -3.091   1.118  -5.693
  184    H    TYR  23           H        TYR  23  -8.176  -0.547  -4.451
  185    HA   TYR  23           HA       TYR  23  -8.657  -2.692  -6.449
  186   1HB   TYR  23          2HB       TYR  23  -8.846  -2.292  -3.527
  187   2HB   TYR  23          1HB       TYR  23 -10.130  -3.289  -4.210
  188    HD1  TYR  23           1HD      TYR  23  -9.728  -5.569  -4.501
  189    HD2  TYR  23           2HD      TYR  23  -6.409  -2.841  -4.455
  190    HE1  TYR  23           1HE      TYR  23  -8.156  -7.478  -4.688
  191    HE2  TYR  23           2HE      TYR  23  -4.838  -4.750  -4.641
  192    HH   TYR  23           HH       TYR  23  -5.468  -7.726  -3.923
  193    H    ARG  24           H        ARG  24 -10.435  -0.147  -4.703
  194    HA   ARG  24           HA       ARG  24 -13.078  -0.700  -5.309
  195   1HB   ARG  24          2HB       ARG  24 -11.578   1.928  -5.344
  196   2HB   ARG  24          1HB       ARG  24 -13.336   1.793  -5.337
  197   1HG   ARG  24          2HG       ARG  24 -13.383   0.824  -3.192
  198   2HG   ARG  24          1HG       ARG  24 -11.676   0.386  -3.253
  199   1HD   ARG  24          2HD       ARG  24 -10.995   2.462  -2.566
  200   2HD   ARG  24          1HD       ARG  24 -12.248   3.289  -3.514
  201    HE   ARG  24           HE       ARG  24 -13.104   1.727  -1.133
  202   1HH1  ARG  24          1HH2      ARG  24 -11.650   4.489  -0.808
  203   2HH1  ARG  24          2HH2      ARG  24 -13.027   5.512  -0.571
  204   1HH2  ARG  24          1HH1      ARG  24 -15.308   3.142  -1.667
  205   2HH2  ARG  24          2HH1      ARG  24 -15.098   4.750  -1.058
  206    HA   PRO  25           HA       PRO  25 -12.733   1.484  -9.641
  207   1HB   PRO  25          2HB       PRO  25 -10.232   1.427 -10.789
  208   2HB   PRO  25          1HB       PRO  25 -10.866   2.814  -9.878
  209   1HG   PRO  25          2HG       PRO  25  -9.071   0.610  -8.948
  210   2HG   PRO  25          1HG       PRO  25  -8.931   2.359  -8.684
  211   1HD   PRO  25          2HD       PRO  25  -9.885   0.793  -6.776
  212   2HD   PRO  25          1HD       PRO  25 -10.619   2.383  -7.070
  213    H    LYS  26           H        LYS  26 -10.780  -1.258  -8.651
  214    HA   LYS  26           HA       LYS  26 -10.980  -2.782 -11.119
  215   1HB   LYS  26          2HB       LYS  26  -9.441  -3.030  -9.018
  216   2HB   LYS  26          1HB       LYS  26 -10.816  -3.888  -8.316
  217   1HG   LYS  26          2HG       LYS  26  -9.788  -4.643 -11.044
  218   2HG   LYS  26          1HG       LYS  26  -9.003  -5.270  -9.595
  219   1HD   LYS  26          2HD       LYS  26 -11.347  -5.976  -8.823
  220   2HD   LYS  26          1HD       LYS  26 -11.865  -5.663 -10.479
  221   1HE   LYS  26          2HE       LYS  26 -10.442  -7.359 -11.361
  222   2HE   LYS  26          1HE       LYS  26  -9.519  -7.474  -9.850
  223   1HZ   LYS  26          1HZ       LYS  26 -11.155  -9.246  -9.971
  224   2HZ   LYS  26          2HZ       LYS  26 -12.404  -8.113 -10.184
  225   3HZ   LYS  26          3HZ       LYS  26 -11.548  -8.172  -8.718
  226    H    ILE  27           H        ILE  27 -12.732  -2.745  -8.026
  227    HA   ILE  27           HA       ILE  27 -14.702  -4.713  -8.536
  228    HB   ILE  27           HB       ILE  27 -14.808  -2.110  -6.965
  229   1HG1  ILE  27          2HG1      ILE  27 -12.948  -3.597  -6.293
  230   2HG1  ILE  27          1HG1      ILE  27 -14.174  -3.500  -5.035
  231   1HG2  ILE  27          1HG2      ILE  27 -16.570  -4.569  -6.869
  232   2HG2  ILE  27          2HG2      ILE  27 -17.058  -2.905  -7.191
  233   3HG2  ILE  27          3HG2      ILE  27 -16.517  -3.369  -5.578
  234   1HD1  ILE  27          1HD1      ILE  27 -15.160  -5.624  -5.880
  235   2HD1  ILE  27          2HD1      ILE  27 -13.499  -5.820  -5.322
  236   3HD1  ILE  27          3HD1      ILE  27 -13.844  -5.737  -7.049
  237    H    LYS  28           H        LYS  28 -14.370  -1.501  -9.894
  238    HA   LYS  28           HA       LYS  28 -17.229  -1.244 -10.525
  239   1HB   LYS  28          2HB       LYS  28 -15.021   0.441 -11.707
  240   2HB   LYS  28          1HB       LYS  28 -16.652   0.919 -11.255
  241   1HG   LYS  28          2HG       LYS  28 -14.267   0.450  -9.497
  242   2HG   LYS  28          1HG       LYS  28 -15.232   1.903  -9.628
  243   1HD   LYS  28          2HD       LYS  28 -16.039  -0.715  -8.306
  244   2HD   LYS  28          1HD       LYS  28 -15.742   0.829  -7.515
  245   1HE   LYS  28          2HE       LYS  28 -17.901   0.481  -9.623
  246   2HE   LYS  28          1HE       LYS  28 -18.206   0.287  -7.885
  247   1HZ   LYS  28          1HZ       LYS  28 -18.585   2.572  -8.508
  248   2HZ   LYS  28          2HZ       LYS  28 -17.044   2.678  -9.215
  249   3HZ   LYS  28          3HZ       LYS  28 -17.199   2.485  -7.534
  250    H    SER  29           H        SER  29 -14.299  -2.328 -12.135
  251    HA   SER  29           HA       SER  29 -15.282  -2.231 -14.844
  252   1HB   SER  29          2HB       SER  29 -12.894  -2.456 -13.947
  253   2HB   SER  29          1HB       SER  29 -13.260  -4.157 -13.674
  254    HG   SER  29           HG       SER  29 -12.824  -2.769 -16.019
  255    H    GLU  30           H        GLU  30 -15.931  -4.411 -12.200
  256    HA   GLU  30           HA       GLU  30 -17.316  -6.265 -14.110
  257   1HB   GLU  30          2HB       GLU  30 -15.373  -6.685 -11.905
  258   2HB   GLU  30          1HB       GLU  30 -16.702  -7.840 -11.986
  259   1HG   GLU  30          2HG       GLU  30 -15.137  -7.121 -14.459
  260   2HG   GLU  30          1HG       GLU  30 -14.549  -8.358 -13.347
  261    H    HIS  31           H        HIS  31 -17.817  -4.064 -11.617
  262    HA   HIS  31           HA       HIS  31 -20.462  -5.305 -11.021
  263   1HB   HIS  31          2HB       HIS  31 -18.684  -4.093  -8.880
  264   2HB   HIS  31          1HB       HIS  31 -20.178  -4.985  -8.649
  265    HD1  HIS  31           1HD      HIS  31 -16.568  -5.442  -8.793
  266    HD2  HIS  31           2HD      HIS  31 -19.906  -7.844  -9.477
  267    HE1  HIS  31           1HE      HIS  31 -15.749  -7.837  -8.746
  268    HA   PRO  32           HA       PRO  32 -20.868  -0.883 -12.069
  269   1HB   PRO  32          2HB       PRO  32 -23.302  -1.120 -13.301
  270   2HB   PRO  32          1HB       PRO  32 -21.762  -1.413 -14.125
  271   1HG   PRO  32          2HG       PRO  32 -23.742  -3.352 -13.085
  272   2HG   PRO  32          1HG       PRO  32 -22.681  -3.462 -14.498
  273   1HD   PRO  32          2HD       PRO  32 -22.236  -4.727 -12.089
  274   2HD   PRO  32          1HD       PRO  32 -20.991  -4.385 -13.307
  275    H    GLY  33           H        GLY  33 -23.327  -3.072 -10.752
  276   1HA   GLY  33          2HA       GLY  33 -24.913  -0.997  -9.517
  277   2HA   GLY  33          1HA       GLY  33 -24.996  -2.718  -9.146
  278    H    LEU  34           H        LEU  34 -22.048  -2.778  -8.597
  279    HA   LEU  34           HA       LEU  34 -21.945  -2.643  -5.819
  280   1HB   LEU  34          2HB       LEU  34 -20.169  -2.933  -8.035
  281   2HB   LEU  34          1HB       LEU  34 -19.419  -1.797  -6.924
  282    HG   LEU  34           HG       LEU  34 -18.788  -4.144  -6.426
  283   1HD1  LEU  34          1HD1      LEU  34 -19.675  -4.083  -3.978
  284   2HD1  LEU  34          2HD1      LEU  34 -20.390  -2.541  -4.449
  285   3HD1  LEU  34          3HD1      LEU  34 -18.644  -2.767  -4.538
  286   1HD2  LEU  34          1HD2      LEU  34 -21.454  -4.784  -5.301
  287   2HD2  LEU  34          2HD2      LEU  34 -20.305  -5.827  -6.138
  288   3HD2  LEU  34          3HD2      LEU  34 -21.370  -4.770  -7.062
  289    H    SER  35           H        SER  35 -23.040  -0.726  -5.039
  290    HA   SER  35           HA       SER  35 -22.120   1.960  -5.730
  291   1HB   SER  35          2HB       SER  35 -23.693   2.558  -3.876
  292   2HB   SER  35          1HB       SER  35 -24.425   1.468  -5.050
  293    HG   SER  35           HG       SER  35 -24.767   0.816  -2.863
  294    H    ILE  36           H        ILE  36 -21.577   3.390  -3.603
  295    HA   ILE  36           HA       ILE  36 -18.983   2.609  -2.696
  296    HB   ILE  36           HB       ILE  36 -21.039   4.666  -1.867
  297   1HG1  ILE  36          2HG1      ILE  36 -19.010   6.121  -2.620
  298   2HG1  ILE  36          1HG1      ILE  36 -18.398   4.626  -3.321
  299   1HG2  ILE  36          1HG2      ILE  36 -18.391   4.048  -0.537
  300   2HG2  ILE  36          2HG2      ILE  36 -19.961   4.306   0.225
  301   3HG2  ILE  36          3HG2      ILE  36 -19.094   5.665  -0.488
  302   1HD1  ILE  36          1HD1      ILE  36 -19.831   6.145  -4.839
  303   2HD1  ILE  36          2HD1      ILE  36 -21.203   5.585  -3.881
  304   3HD1  ILE  36          3HD1      ILE  36 -20.235   4.429  -4.796
  305    H    GLY  37           H        GLY  37 -22.209   2.142  -1.308
  306   1HA   GLY  37          2HA       GLY  37 -21.452   1.291   1.300
  307   2HA   GLY  37          1HA       GLY  37 -22.928   0.788   0.472
  308    H    ASP  38           H        ASP  38 -22.151  -0.687  -1.598
  309    HA   ASP  38           HA       ASP  38 -21.146  -3.150  -0.411
  310   1HB   ASP  38          2HB       ASP  38 -21.897  -2.205  -3.186
  311   2HB   ASP  38          1HB       ASP  38 -21.325  -3.846  -2.880
  312    H    THR  39           H        THR  39 -19.803  -0.655  -2.556
  313    HA   THR  39           HA       THR  39 -17.356  -2.034  -3.208
  314    HB   THR  39           HB       THR  39 -17.979   0.929  -3.027
  315    HG1  THR  39           1HG      THR  39 -18.758   0.719  -5.019
  316   1HG2  THR  39          1HG2      THR  39 -15.614   0.687  -3.196
  317   2HG2  THR  39          2HG2      THR  39 -16.170   0.986  -4.843
  318   3HG2  THR  39          3HG2      THR  39 -15.759  -0.652  -4.333
  319    H    ALA  40           H        ALA  40 -18.404  -0.238  -0.385
  320    HA   ALA  40           HA       ALA  40 -15.684   0.104   0.678
  321   1HB   ALA  40          1HB       ALA  40 -16.966   1.038   2.601
  322   2HB   ALA  40          2HB       ALA  40 -18.463   0.504   1.836
  323   3HB   ALA  40          3HB       ALA  40 -17.472   1.745   1.067
  324    H    LYS  41           H        LYS  41 -18.425  -2.109   1.123
  325    HA   LYS  41           HA       LYS  41 -16.959  -3.516   3.284
  326   1HB   LYS  41          2HB       LYS  41 -19.112  -4.562   3.730
  327   2HB   LYS  41          1HB       LYS  41 -19.331  -2.822   3.570
  328   1HG   LYS  41          2HG       LYS  41 -19.980  -3.194   1.179
  329   2HG   LYS  41          1HG       LYS  41 -19.909  -4.927   1.470
  330   1HD   LYS  41          2HD       LYS  41 -22.204  -4.297   1.753
  331   2HD   LYS  41          1HD       LYS  41 -21.558  -4.549   3.375
  332   1HE   LYS  41          2HE       LYS  41 -20.989  -1.886   2.986
  333   2HE   LYS  41          1HE       LYS  41 -22.528  -2.060   2.117
  334   1HZ   LYS  41          1HZ       LYS  41 -21.996  -3.061   4.864
  335   2HZ   LYS  41          2HZ       LYS  41 -23.470  -3.172   4.025
  336   3HZ   LYS  41          3HZ       LYS  41 -22.870  -1.655   4.499
  337    H    LYS  42           H        LYS  42 -17.559  -3.853  -0.124
  338    HA   LYS  42           HA       LYS  42 -17.319  -6.787  -0.140
  339   1HB   LYS  42          2HB       LYS  42 -18.675  -5.298  -1.715
  340   2HB   LYS  42          1HB       LYS  42 -17.141  -4.812  -2.434
  341   1HG   LYS  42          2HG       LYS  42 -17.872  -6.595  -3.789
  342   2HG   LYS  42          1HG       LYS  42 -16.713  -7.356  -2.694
  343   1HD   LYS  42          2HD       LYS  42 -19.486  -7.240  -1.668
  344   2HD   LYS  42          1HD       LYS  42 -19.273  -8.254  -3.092
  345   1HE   LYS  42          2HE       LYS  42 -17.077  -8.774  -1.323
  346   2HE   LYS  42          1HE       LYS  42 -18.578  -8.871  -0.387
  347   1HZ   LYS  42          1HZ       LYS  42 -18.003 -10.240  -2.960
  348   2HZ   LYS  42          2HZ       LYS  42 -19.524 -10.224  -2.204
  349   3HZ   LYS  42          3HZ       LYS  42 -18.204 -10.978  -1.447
  350    H    LEU  43           H        LEU  43 -15.125  -4.227   0.208
  351    HA   LEU  43           HA       LEU  43 -12.931  -5.558  -1.289
  352   1HB   LEU  43          2HB       LEU  43 -13.278  -2.924   0.167
  353   2HB   LEU  43          1HB       LEU  43 -11.741  -3.432  -0.534
  354    HG   LEU  43           HG       LEU  43 -14.328  -3.244  -2.100
  355   1HD1  LEU  43          1HD1      LEU  43 -13.314  -1.049  -1.163
  356   2HD1  LEU  43          2HD1      LEU  43 -13.643  -1.130  -2.894
  357   3HD1  LEU  43          3HD1      LEU  43 -11.996  -1.341  -2.299
  358   1HD2  LEU  43          1HD2      LEU  43 -11.454  -3.873  -2.747
  359   2HD2  LEU  43          2HD2      LEU  43 -12.508  -3.179  -3.978
  360   3HD2  LEU  43          3HD2      LEU  43 -12.913  -4.730  -3.244
  361    H    GLY  44           H        GLY  44 -13.916  -4.609   1.981
  362   1HA   GLY  44          2HA       GLY  44 -11.581  -5.390   3.399
  363   2HA   GLY  44          1HA       GLY  44 -13.201  -5.336   4.095
  364    H    GLU  45           H        GLU  45 -14.300  -7.293   2.193
  365    HA   GLU  45           HA       GLU  45 -13.955  -9.708   3.626
  366   1HB   GLU  45          2HB       GLU  45 -15.727  -8.976   1.911
  367   2HB   GLU  45          1HB       GLU  45 -14.586  -9.505   0.673
  368   1HG   GLU  45          2HG       GLU  45 -14.636 -11.756   1.437
  369   2HG   GLU  45          1HG       GLU  45 -15.416 -11.304   2.953
  370    H    MET  46           H        MET  46 -12.201  -8.486   0.786
  371    HA   MET  46           HA       MET  46 -10.635 -10.919   0.395
  372   1HB   MET  46          2HB       MET  46 -10.351  -8.047  -0.554
  373   2HB   MET  46          1HB       MET  46  -9.389  -9.392  -1.166
  374   1HG   MET  46          2HG       MET  46 -11.393 -10.519  -1.971
  375   2HG   MET  46          1HG       MET  46 -12.417  -9.272  -1.257
  376   1HE   MET  46          1HE       MET  46 -12.536 -10.377  -3.981
  377   2HE   MET  46          2HE       MET  46 -10.889 -10.384  -4.608
  378   3HE   MET  46          3HE       MET  46 -12.089  -9.309  -5.319
  379    H    TRP  47           H        TRP  47 -10.032  -7.709   1.829
  380    HA   TRP  47           HA       TRP  47  -7.309  -7.977   2.522
  381   1HB   TRP  47          2HB       TRP  47  -8.779  -5.951   2.694
  382   2HB   TRP  47          1HB       TRP  47  -9.520  -6.661   4.130
  383    HD1  TRP  47           HD       TRP  47  -8.435  -6.027   6.332
  384    HE1  TRP  47           1HE      TRP  47  -6.138  -5.116   7.067
  385    HE3  TRP  47           3HE      TRP  47  -5.998  -6.048   1.843
  386    HZ2  TRP  47           2HZ      TRP  47  -3.602  -4.482   5.906
  387    HZ3  TRP  47           3HZ      TRP  47  -3.644  -5.287   1.687
  388    HH2  TRP  47           HH       TRP  47  -2.445  -4.505   3.710
  389    H    SER  48           H        SER  48 -10.101  -9.550   3.946
  390    HA   SER  48           HA       SER  48  -8.658 -10.321   6.404
  391   1HB   SER  48          2HB       SER  48 -11.093  -9.712   6.290
  392   2HB   SER  48          1HB       SER  48 -11.364 -11.143   5.299
  393    HG   SER  48           HG       SER  48 -11.687 -11.336   7.662
  394    H    GLU  49           H        GLU  49  -9.616 -11.720   3.302
  395    HA   GLU  49           HA       GLU  49  -8.719 -14.429   4.088
  396   1HB   GLU  49          2HB       GLU  49  -9.983 -13.144   1.663
  397   2HB   GLU  49          1HB       GLU  49  -9.433 -14.821   1.641
  398   1HG   GLU  49          2HG       GLU  49 -11.257 -13.800   3.817
  399   2HG   GLU  49          1HG       GLU  49 -11.899 -14.390   2.283
  400    H    GLN  50           H        GLN  50  -7.219 -11.622   2.928
  401    HA   GLN  50           HA       GLN  50  -5.449 -12.546   0.902
  402   1HB   GLN  50          2HB       GLN  50  -4.080 -10.607   1.642
  403   2HB   GLN  50          1HB       GLN  50  -5.789 -10.190   1.527
  404   1HG   GLN  50          2HG       GLN  50  -5.330  -9.311   3.612
  405   2HG   GLN  50          1HG       GLN  50  -5.755 -10.953   4.091
  406   1HE2  GLN  50          1HE2      GLN  50  -4.300 -11.511   5.729
  407   2HE2  GLN  50          2HE2      GLN  50  -2.618 -11.305   5.634
  408    H    SER  51           H        SER  51  -2.890 -12.205   1.744
  409    HA   SER  51           HA       SER  51  -2.312 -13.907   4.079
  410   1HB   SER  51          2HB       SER  51  -2.912 -15.388   2.098
  411   2HB   SER  51          1HB       SER  51  -1.502 -14.732   1.270
  412    HG   SER  51           HG       SER  51  -0.779 -16.527   2.288
  413    H    ALA  52           H        ALA  52   0.397 -14.493   2.872
  414    HA   ALA  52           HA       ALA  52   1.718 -12.024   3.649
  415   1HB   ALA  52          1HB       ALA  52   2.563 -14.356   3.997
  416   2HB   ALA  52          2HB       ALA  52   3.730 -13.324   3.171
  417   3HB   ALA  52          3HB       ALA  52   2.787 -14.498   2.254
  418    H    LYS  53           H        LYS  53   0.196 -12.877   0.726
  419    HA   LYS  53           HA       LYS  53   2.166 -11.553  -1.034
  420   1HB   LYS  53          2HB       LYS  53  -0.379 -13.117  -1.276
  421   2HB   LYS  53          1HB       LYS  53   0.111 -12.098  -2.630
  422   1HG   LYS  53          2HG       LYS  53   2.221 -13.241  -2.828
  423   2HG   LYS  53          1HG       LYS  53   1.950 -14.118  -1.322
  424   1HD   LYS  53          2HD       LYS  53   0.039 -14.367  -3.644
  425   2HD   LYS  53          1HD       LYS  53   1.480 -15.378  -3.528
  426   1HE   LYS  53          2HE       LYS  53   0.631 -15.867  -1.090
  427   2HE   LYS  53          1HE       LYS  53  -0.934 -15.325  -1.729
  428   1HZ   LYS  53          1HZ       LYS  53  -0.635 -17.695  -2.108
  429   2HZ   LYS  53          2HZ       LYS  53   0.815 -17.401  -2.943
  430   3HZ   LYS  53          3HZ       LYS  53  -0.661 -16.859  -3.584
  431    H    ASP  54           H        ASP  54  -1.116 -10.953   0.256
  432    HA   ASP  54           HA       ASP  54  -1.308  -8.383  -1.183
  433   1HB   ASP  54          2HB       ASP  54  -3.065 -10.316  -0.200
  434   2HB   ASP  54          1HB       ASP  54  -3.297  -8.949   0.888
  435    H    LYS  55           H        LYS  55   0.896  -8.245   0.464
  436    HA   LYS  55           HA       LYS  55   0.166  -6.049   2.265
  437   1HB   LYS  55          2HB       LYS  55   1.005  -8.771   3.205
  438   2HB   LYS  55          1HB       LYS  55   1.505  -7.361   4.125
  439   1HG   LYS  55          2HG       LYS  55  -1.036  -6.687   3.894
  440   2HG   LYS  55          1HG       LYS  55  -1.255  -8.418   3.643
  441   1HD   LYS  55          2HD       LYS  55   0.424  -7.468   5.943
  442   2HD   LYS  55          1HD       LYS  55  -1.335  -7.436   6.084
  443   1HE   LYS  55          2HE       LYS  55  -1.105  -9.922   5.131
  444   2HE   LYS  55          1HE       LYS  55   0.501  -9.790   5.876
  445   1HZ   LYS  55          1HZ       LYS  55  -0.563  -8.980   7.905
  446   2HZ   LYS  55          2HZ       LYS  55  -1.115 -10.535   7.505
  447   3HZ   LYS  55          3HZ       LYS  55  -2.091  -9.179   7.198
  448    H    GLN  56           H        GLN  56   2.851  -8.380   1.819
  449    HA   GLN  56           HA       GLN  56   5.081  -6.867   2.299
  450   1HB   GLN  56          2HB       GLN  56   4.343  -9.030   0.415
  451   2HB   GLN  56          1HB       GLN  56   5.871  -8.217   0.079
  452   1HG   GLN  56          2HG       GLN  56   5.180  -9.190   2.853
  453   2HG   GLN  56          1HG       GLN  56   5.947 -10.248   1.667
  454   1HE2  GLN  56          1HE2      GLN  56   8.040  -9.317   0.660
  455   2HE2  GLN  56          2HE2      GLN  56   9.042  -8.391   1.668
  456    HA   PRO  57           HA       PRO  57   5.229  -4.855  -2.024
  457   1HB   PRO  57          2HB       PRO  57   3.083  -5.056  -3.692
  458   2HB   PRO  57          1HB       PRO  57   4.400  -6.244  -3.658
  459   1HG   PRO  57          2HG       PRO  57   1.693  -6.386  -2.461
  460   2HG   PRO  57          1HG       PRO  57   2.658  -7.662  -3.216
  461   1HD   PRO  57          2HD       PRO  57   2.365  -7.338  -0.510
  462   2HD   PRO  57          1HD       PRO  57   3.746  -8.150  -1.275
  463    H    TYR  58           H        TYR  58   1.929  -4.852  -0.655
  464    HA   TYR  58           HA       TYR  58   1.509  -2.017  -1.353
  465   1HB   TYR  58          2HB       TYR  58  -0.015  -4.297  -0.173
  466   2HB   TYR  58          1HB       TYR  58  -0.596  -2.667   0.164
  467    HD1  TYR  58           1HD      TYR  58  -2.126  -1.762  -1.333
  468    HD2  TYR  58           2HD      TYR  58   0.738  -4.632  -2.749
  469    HE1  TYR  58           1HE      TYR  58  -3.133  -1.650  -3.597
  470    HE2  TYR  58           2HE      TYR  58  -0.268  -4.520  -5.013
  471    HH   TYR  58           HH       TYR  58  -1.640  -2.745  -6.327
  472    H    GLU  59           H        GLU  59   2.744  -3.780   1.372
  473    HA   GLU  59           HA       GLU  59   2.113  -1.691   3.340
  474   1HB   GLU  59          2HB       GLU  59   3.060  -3.281   4.886
  475   2HB   GLU  59          1HB       GLU  59   2.178  -4.221   3.695
  476   1HG   GLU  59          2HG       GLU  59   4.170  -5.407   3.776
  477   2HG   GLU  59          1HG       GLU  59   4.523  -4.282   2.467
  478    H    GLN  60           H        GLN  60   4.829  -2.693   1.347
  479    HA   GLN  60           HA       GLN  60   6.799  -0.997   2.679
  480   1HB   GLN  60          2HB       GLN  60   8.215  -1.732   0.801
  481   2HB   GLN  60          1HB       GLN  60   7.326  -3.102   1.463
  482   1HG   GLN  60          2HG       GLN  60   5.734  -3.040  -0.350
  483   2HG   GLN  60          1HG       GLN  60   6.382  -1.509  -0.938
  484   1HE2  GLN  60          1HE2      GLN  60   7.444  -4.899  -0.308
  485   2HE2  GLN  60          2HE2      GLN  60   8.546  -4.947  -1.598
  486    H    LYS  61           H        LYS  61   4.455  -0.606   0.112
  487    HA   LYS  61           HA       LYS  61   5.586   1.643  -1.257
  488   1HB   LYS  61          2HB       LYS  61   3.730   0.276  -2.111
  489   2HB   LYS  61          1HB       LYS  61   2.717   0.765  -0.755
  490   1HG   LYS  61          2HG       LYS  61   2.610   3.025  -1.526
  491   2HG   LYS  61          1HG       LYS  61   3.896   2.756  -2.705
  492   1HD   LYS  61          2HD       LYS  61   2.392   1.068  -3.830
  493   2HD   LYS  61          1HD       LYS  61   1.100   1.590  -2.748
  494   1HE   LYS  61          2HE       LYS  61   1.530   3.970  -3.590
  495   2HE   LYS  61          1HE       LYS  61   2.523   3.231  -4.862
  496   1HZ   LYS  61          1HZ       LYS  61   0.664   1.820  -5.461
  497   2HZ   LYS  61          2HZ       LYS  61   0.204   3.452  -5.560
  498   3HZ   LYS  61          3HZ       LYS  61  -0.291   2.504  -4.239
  499    H    ALA  62           H        ALA  62   3.386   1.442   1.557
  500    HA   ALA  62           HA       ALA  62   3.269   4.348   1.876
  501   1HB   ALA  62          1HB       ALA  62   2.060   3.657   3.975
  502   2HB   ALA  62          2HB       ALA  62   2.450   1.980   3.591
  503   3HB   ALA  62          3HB       ALA  62   1.406   2.912   2.517
  504    H    ALA  63           H        ALA  63   5.455   1.828   2.809
  505    HA   ALA  63           HA       ALA  63   6.478   2.767   5.280
  506   1HB   ALA  63          1HB       ALA  63   6.945   0.608   4.009
  507   2HB   ALA  63          2HB       ALA  63   8.360   1.369   4.735
  508   3HB   ALA  63          3HB       ALA  63   8.059   1.537   3.005
  509    H    LYS  64           H        LYS  64   7.410   3.676   1.914
  510    HA   LYS  64           HA       LYS  64   9.528   5.468   2.735
  511   1HB   LYS  64          2HB       LYS  64   7.828   5.326   0.219
  512   2HB   LYS  64          1HB       LYS  64   9.361   6.186   0.364
  513   1HG   LYS  64          2HG       LYS  64   9.096   3.229   0.945
  514   2HG   LYS  64          1HG       LYS  64   9.496   3.850  -0.656
  515   1HD   LYS  64          2HD       LYS  64  11.493   4.923   0.188
  516   2HD   LYS  64          1HD       LYS  64  11.056   4.530   1.850
  517   1HE   LYS  64          2HE       LYS  64  11.207   2.097   1.282
  518   2HE   LYS  64          1HE       LYS  64  11.769   2.547  -0.341
  519   1HZ   LYS  64          1HZ       LYS  64  13.616   2.185   1.234
  520   2HZ   LYS  64          2HZ       LYS  64  13.027   3.456   2.193
  521   3HZ   LYS  64          3HZ       LYS  64  13.586   3.764   0.618
  522    H    LEU  65           H        LEU  65   6.340   6.243   1.291
  523    HA   LEU  65           HA       LEU  65   6.222   8.982   1.663
  524   1HB   LEU  65          2HB       LEU  65   4.233   6.746   1.743
  525   2HB   LEU  65          1HB       LEU  65   3.673   8.377   2.115
  526    HG   LEU  65           HG       LEU  65   5.033   9.002  -0.066
  527   1HD1  LEU  65          1HD1      LEU  65   4.551   6.031  -0.272
  528   2HD1  LEU  65          2HD1      LEU  65   6.022   6.934  -0.633
  529   3HD1  LEU  65          3HD1      LEU  65   4.634   7.040  -1.716
  530   1HD2  LEU  65          1HD2      LEU  65   2.987   9.131  -1.148
  531   2HD2  LEU  65          2HD2      LEU  65   2.433   8.877   0.507
  532   3HD2  LEU  65          3HD2      LEU  65   2.490   7.522  -0.621
  533    H    LYS  66           H        LYS  66   5.942   6.549   4.198
  534    HA   LYS  66           HA       LYS  66   4.763   8.187   6.247
  535   1HB   LYS  66          2HB       LYS  66   5.020   5.693   6.245
  536   2HB   LYS  66          1HB       LYS  66   6.756   5.905   6.479
  537   1HG   LYS  66          2HG       LYS  66   5.952   5.602   8.672
  538   2HG   LYS  66          1HG       LYS  66   6.074   7.356   8.527
  539   1HD   LYS  66          2HD       LYS  66   3.732   7.597   8.186
  540   2HD   LYS  66          1HD       LYS  66   3.523   5.872   7.879
  541   1HE   LYS  66          2HE       LYS  66   4.539   5.678  10.347
  542   2HE   LYS  66          1HE       LYS  66   3.833   7.301  10.487
  543   1HZ   LYS  66          1HZ       LYS  66   2.171   5.639  11.004
  544   2HZ   LYS  66          2HZ       LYS  66   2.437   4.861   9.518
  545   3HZ   LYS  66          3HZ       LYS  66   1.765   6.420   9.555
  546    H    GLU  67           H        GLU  67   8.181   7.363   5.576
  547    HA   GLU  67           HA       GLU  67   9.361   9.064   7.544
  548   1HB   GLU  67          2HB       GLU  67  10.219   7.847   4.921
  549   2HB   GLU  67          1HB       GLU  67  11.317   8.903   5.810
  550   1HG   GLU  67          2HG       GLU  67  11.189   7.471   7.771
  551   2HG   GLU  67          1HG       GLU  67   9.967   6.461   6.995
  552    H    LYS  68           H        LYS  68   8.860   9.640   4.037
  553    HA   LYS  68           HA       LYS  68   9.800  12.305   3.907
  554   1HB   LYS  68          2HB       LYS  68   7.756  10.669   2.414
  555   2HB   LYS  68          1HB       LYS  68   8.040  12.354   1.972
  556   1HG   LYS  68          2HG       LYS  68  10.436  11.880   1.660
  557   2HG   LYS  68          1HG       LYS  68  10.168  10.198   2.120
  558   1HD   LYS  68          2HD       LYS  68   8.429  10.158   0.205
  559   2HD   LYS  68          1HD       LYS  68   9.206  11.642  -0.346
  560   1HE   LYS  68          2HE       LYS  68  11.422  10.383  -0.267
  561   2HE   LYS  68          1HE       LYS  68  10.469   8.902  -0.038
  562   1HZ   LYS  68          1HZ       LYS  68   9.203   9.448  -2.024
  563   2HZ   LYS  68          2HZ       LYS  68  10.858   9.331  -2.394
  564   3HZ   LYS  68          3HZ       LYS  68  10.121  10.855  -2.254
  565    H    TYR  69           H        TYR  69   6.776  11.048   5.179
  566    HA   TYR  69           HA       TYR  69   5.426  13.657   5.231
  567   1HB   TYR  69          2HB       TYR  69   4.301  11.427   4.971
  568   2HB   TYR  69          1HB       TYR  69   4.794  11.028   6.617
  569    HD1  TYR  69           1HD      TYR  69   2.395  12.791   4.555
  570    HD2  TYR  69           2HD      TYR  69   3.994  12.489   8.530
  571    HE1  TYR  69           1HE      TYR  69   0.414  13.988   5.444
  572    HE2  TYR  69           2HE      TYR  69   2.013  13.686   9.418
  573    HH   TYR  69           HH       TYR  69  -0.018  15.467   7.615
  574    H    GLU  70           H        GLU  70   6.342  11.368   7.833
  575    HA   GLU  70           HA       GLU  70   6.148  13.162  10.015
  576   1HB   GLU  70          2HB       GLU  70   7.503  10.601   9.364
  577   2HB   GLU  70          1HB       GLU  70   8.130  11.461  10.771
  578   1HG   GLU  70          2HG       GLU  70   5.713  11.665  11.561
  579   2HG   GLU  70          1HG       GLU  70   5.298  10.511  10.294
  580    H    LYS  71           H        LYS  71   8.649  12.893   7.578
  581    HA   LYS  71           HA       LYS  71  10.602  14.480   9.127
  582   1HB   LYS  71          2HB       LYS  71  11.124  12.527   7.592
  583   2HB   LYS  71          1HB       LYS  71  10.660  13.560   6.239
  584   1HG   LYS  71          2HG       LYS  71  12.355  15.257   7.298
  585   2HG   LYS  71          1HG       LYS  71  13.005  13.828   8.101
  586   1HD   LYS  71          2HD       LYS  71  12.513  13.858   5.125
  587   2HD   LYS  71          1HD       LYS  71  14.019  14.467   5.811
  588   1HE   LYS  71          2HE       LYS  71  14.560  12.330   6.764
  589   2HE   LYS  71          1HE       LYS  71  12.933  11.703   6.435
  590   1HZ   LYS  71          1HZ       LYS  71  14.483  11.005   4.712
  591   2HZ   LYS  71          2HZ       LYS  71  14.885  12.623   4.389
  592   3HZ   LYS  71          3HZ       LYS  71  13.316  12.054   4.071
  593    H    ASP  72           H        ASP  72   9.085  14.834   5.892
  594    HA   ASP  72           HA       ASP  72   9.782  17.536   5.441
  595   1HB   ASP  72          2HB       ASP  72   8.841  15.892   3.812
  596   2HB   ASP  72          1HB       ASP  72   7.268  16.068   4.590
  597    H    ILE  73           H        ILE  73   7.299  16.221   7.541
  598    HA   ILE  73           HA       ILE  73   5.752  18.698   7.714
  599    HB   ILE  73           HB       ILE  73   4.832  16.401   8.065
  600   1HG1  ILE  73          2HG1      ILE  73   3.671  16.967  10.282
  601   2HG1  ILE  73          1HG1      ILE  73   4.681  18.414  10.316
  602   1HG2  ILE  73          1HG2      ILE  73   6.063  16.355  10.797
  603   2HG2  ILE  73          2HG2      ILE  73   7.016  15.775   9.433
  604   3HG2  ILE  73          3HG2      ILE  73   5.472  15.017   9.814
  605   1HD1  ILE  73          1HD1      ILE  73   2.925  17.671   7.962
  606   2HD1  ILE  73          2HD1      ILE  73   3.760  19.200   8.234
  607   3HD1  ILE  73          3HD1      ILE  73   2.401  18.743   9.260
  608    H    ALA  74           H        ALA  74   8.406  17.199   9.488
  609    HA   ALA  74           HA       ALA  74   8.438  18.648  11.894
  610   1HB   ALA  74          1HB       ALA  74  10.821  18.125  11.889
  611   2HB   ALA  74          2HB       ALA  74  10.809  17.935  10.137
  612   3HB   ALA  74          3HB       ALA  74   9.947  16.782  11.154
  613    H    ALA  75           H        ALA  75   9.343  19.723   8.657
  614    HA   ALA  75           HA       ALA  75  10.520  22.253   9.584
  615   1HB   ALA  75          1HB       ALA  75   9.684  21.286   6.831
  616   2HB   ALA  75          2HB       ALA  75  11.256  20.978   7.567
  617   3HB   ALA  75          3HB       ALA  75  10.773  22.628   7.174
  618    H    TYR  76           H        TYR  76   7.347  21.153   9.332
  619    HA   TYR  76           HA       TYR  76   6.256  23.824   8.554
  620   1HB   TYR  76          2HB       TYR  76   5.530  21.797   7.309
  621   2HB   TYR  76          1HB       TYR  76   4.970  21.081   8.821
  622    HD1  TYR  76           1HD      TYR  76   4.558  24.139   6.693
  623    HD2  TYR  76           2HD      TYR  76   2.780  21.477   9.559
  624    HE1  TYR  76           1HE      TYR  76   2.393  25.325   6.452
  625    HE2  TYR  76           2HE      TYR  76   0.615  22.664   9.318
  626    HH   TYR  76           HH       TYR  76   0.269  25.622   8.077
  627    H    ARG  77           H        ARG  77   7.416  22.801  11.265
  628    HA   ARG  77           HA       ARG  77   5.044  23.573  12.932
  629   1HB   ARG  77          2HB       ARG  77   7.155  21.450  13.425
  630   2HB   ARG  77          1HB       ARG  77   5.888  21.890  14.569
  631   1HG   ARG  77          2HG       ARG  77   4.159  21.191  13.023
  632   2HG   ARG  77          1HG       ARG  77   5.351  20.916  11.751
  633   1HD   ARG  77          2HD       ARG  77   4.894  18.748  12.671
  634   2HD   ARG  77          1HD       ARG  77   6.443  19.234  13.389
  635    HE   ARG  77           HE       ARG  77   5.159  19.976  15.399
  636   1HH1  ARG  77          1HH1      ARG  77   4.708  16.961  14.629
  637   2HH1  ARG  77          2HH1      ARG  77   3.029  16.816  15.029
  638   1HH2  ARG  77          1HH2      ARG  77   2.510  20.238  15.246
  639   2HH2  ARG  77          2HH2      ARG  77   1.785  18.670  15.379
  640    H    ALA  78           H        ALA  78   8.585  23.620  12.573
  641    HA   ALA  78           HA       ALA  78  10.229  24.966  13.599
  642   1HB   ALA  78          1HB       ALA  78   8.540  26.565  12.484
  643   2HB   ALA  78          2HB       ALA  78   9.592  27.256  13.719
  644   3HB   ALA  78          3HB       ALA  78   7.921  26.851  14.110
  645    H    LYS  79           H        LYS  79  10.171  23.282  15.409
  646    HA   LYS  79           HA       LYS  79   9.089  24.451  17.954
  647   1HB   LYS  79          2HB       LYS  79   8.474  22.088  16.801
  648   2HB   LYS  79          1HB       LYS  79   9.889  21.589  17.729
  649   1HG   LYS  79          2HG       LYS  79   8.890  22.064  19.772
  650   2HG   LYS  79          1HG       LYS  79   7.794  23.258  19.074
  651   1HD   LYS  79          2HD       LYS  79   6.871  21.138  17.764
  652   2HD   LYS  79          1HD       LYS  79   7.552  20.277  19.145
  653   1HE   LYS  79          2HE       LYS  79   6.283  22.010  20.604
  654   2HE   LYS  79          1HE       LYS  79   5.359  22.352  19.128
  655   1HZ   LYS  79          1HZ       LYS  79   5.751  19.687  20.384
  656   2HZ   LYS  79          2HZ       LYS  79   4.969  19.952  18.898
  657   3HZ   LYS  79          3HZ       LYS  79   4.301  20.567  20.335
  Start of MODEL   23
    1   1H    MET   1          1HT       MET   1  -9.982  18.339   6.893
    2   2H    MET   1          2HT       MET   1 -10.604  19.909   6.708
    3   3H    MET   1          3HT       MET   1  -9.256  19.414   5.800
    4    HA   MET   1           HA       MET   1 -12.022  18.337   5.547
    5   1HB   MET   1          2HB       MET   1 -10.970  20.724   4.712
    6   2HB   MET   1          1HB       MET   1 -10.588  19.690   3.335
    7   1HG   MET   1          2HG       MET   1 -13.069  18.902   3.555
    8   2HG   MET   1          1HG       MET   1 -13.283  20.386   4.481
    9   1HE   MET   1          1HE       MET   1 -15.015  21.054   3.004
   10   2HE   MET   1          2HE       MET   1 -14.920  19.921   1.658
   11   3HE   MET   1          3HE       MET   1 -14.867  21.655   1.347
   12    H    LYS   2           H        LYS   2 -11.694  17.614   2.880
   13    HA   LYS   2           HA       LYS   2 -10.015  15.197   3.127
   14   1HB   LYS   2          2HB       LYS   2 -12.144  16.280   1.307
   15   2HB   LYS   2          1HB       LYS   2 -11.130  14.955   0.737
   16   1HG   LYS   2          2HG       LYS   2 -13.005  13.910   1.770
   17   2HG   LYS   2          1HG       LYS   2 -11.692  13.774   2.939
   18   1HD   LYS   2          2HD       LYS   2 -12.604  15.364   4.360
   19   2HD   LYS   2          1HD       LYS   2 -13.468  16.184   3.058
   20   1HE   LYS   2          2HE       LYS   2 -14.632  13.677   3.039
   21   2HE   LYS   2          1HE       LYS   2 -14.337  13.960   4.766
   22   1HZ   LYS   2          1HZ       LYS   2 -15.306  16.180   4.505
   23   2HZ   LYS   2          2HZ       LYS   2 -16.426  14.962   4.125
   24   3HZ   LYS   2          3HZ       LYS   2 -15.666  15.838   2.884
   25    H    LYS   3           H        LYS   3  -8.294  14.710   1.661
   26    HA   LYS   3           HA       LYS   3  -6.377  15.223   0.380
   27   1HB   LYS   3          2HB       LYS   3  -8.727  15.944  -0.975
   28   2HB   LYS   3          1HB       LYS   3  -7.657  17.329  -1.190
   29   1HG   LYS   3          2HG       LYS   3  -5.948  15.979  -2.174
   30   2HG   LYS   3          1HG       LYS   3  -6.745  14.486  -1.678
   31   1HD   LYS   3          2HD       LYS   3  -8.742  15.402  -3.121
   32   2HD   LYS   3          1HD       LYS   3  -7.491  16.384  -3.883
   33   1HE   LYS   3          2HE       LYS   3  -7.442  14.451  -5.217
   34   2HE   LYS   3          1HE       LYS   3  -6.197  14.067  -4.010
   35   1HZ   LYS   3          1HZ       LYS   3  -9.076  13.352  -3.804
   36   2HZ   LYS   3          2HZ       LYS   3  -7.877  12.988  -2.657
   37   3HZ   LYS   3          3HZ       LYS   3  -7.828  12.274  -4.198
   38    H    LYS   4           H        LYS   4  -5.274  17.461  -0.627
   39    HA   LYS   4           HA       LYS   4  -5.548  19.787   1.085
   40   1HB   LYS   4          2HB       LYS   4  -3.643  17.594   1.661
   41   2HB   LYS   4          1HB       LYS   4  -2.956  19.216   1.730
   42   1HG   LYS   4          2HG       LYS   4  -5.213  19.684   3.100
   43   2HG   LYS   4          1HG       LYS   4  -5.040  17.966   3.457
   44   1HD   LYS   4          2HD       LYS   4  -2.580  18.539   4.029
   45   2HD   LYS   4          1HD       LYS   4  -3.133  20.213   4.091
   46   1HE   LYS   4          2HE       LYS   4  -4.380  19.873   6.004
   47   2HE   LYS   4          1HE       LYS   4  -4.752  18.189   5.584
   48   1HZ   LYS   4          1HZ       LYS   4  -2.437  17.614   5.982
   49   2HZ   LYS   4          2HZ       LYS   4  -3.124  18.297   7.377
   50   3HZ   LYS   4          3HZ       LYS   4  -2.085  19.219   6.400
   51    H    ASP   5           H        ASP   5  -2.612  18.379  -0.364
   52    HA   ASP   5           HA       ASP   5  -2.771  19.976  -2.800
   53   1HB   ASP   5          2HB       ASP   5  -1.515  20.986  -0.321
   54   2HB   ASP   5          1HB       ASP   5  -0.510  21.138  -1.761
   55    HA   PRO   6           HA       PRO   6   0.358  17.105  -3.987
   56   1HB   PRO   6          2HB       PRO   6   1.938  18.536  -5.702
   57   2HB   PRO   6          1HB       PRO   6   0.304  17.988  -6.126
   58   1HG   PRO   6          2HG       PRO   6   1.231  20.676  -5.257
   59   2HG   PRO   6          1HG       PRO   6   0.011  20.237  -6.461
   60   1HD   PRO   6          2HD       PRO   6  -0.589  21.090  -3.937
   61   2HD   PRO   6          1HD       PRO   6  -1.644  20.033  -4.901
   62    H    ASN   7           H        ASN   7   1.663  20.305  -3.112
   63    HA   ASN   7           HA       ASN   7   4.299  19.265  -2.409
   64   1HB   ASN   7          2HB       ASN   7   4.634  21.610  -1.659
   65   2HB   ASN   7          1HB       ASN   7   3.911  21.539  -3.265
   66   1HD2  ASN   7          1HD2      ASN   7   1.781  22.394  -3.529
   67   2HD2  ASN   7          2HD2      ASN   7   0.914  23.126  -2.267
   68    H    ALA   8           H        ALA   8   1.268  19.414  -0.751
   69    HA   ALA   8           HA       ALA   8   2.542  19.375   1.933
   70   1HB   ALA   8          1HB       ALA   8   0.045  19.337   2.572
   71   2HB   ALA   8          2HB       ALA   8  -0.278  19.550   0.852
   72   3HB   ALA   8          3HB       ALA   8   0.621  20.781   1.739
   73    HA   PRO   9           HA       PRO   9   2.323  14.909   1.697
   74   1HB   PRO   9          2HB       PRO   9   3.013  14.340   4.283
   75   2HB   PRO   9          1HB       PRO   9   4.195  14.821   3.049
   76   1HG   PRO   9          2HG       PRO   9   2.959  16.434   5.218
   77   2HG   PRO   9          1HG       PRO   9   4.610  16.471   4.583
   78   1HD   PRO   9          2HD       PRO   9   2.692  18.311   3.939
   79   2HD   PRO   9          1HD       PRO   9   4.066  17.902   2.887
   80    H    LYS  10           H        LYS  10   0.157  14.352   1.506
   81    HA   LYS  10           HA       LYS  10  -1.917  15.014   3.352
   82   1HB   LYS  10          2HB       LYS  10  -3.178  13.308   2.052
   83   2HB   LYS  10          1HB       LYS  10  -2.265  14.387   1.001
   84   1HG   LYS  10          2HG       LYS  10  -0.554  12.199   1.710
   85   2HG   LYS  10          1HG       LYS  10  -2.098  11.532   1.185
   86   1HD   LYS  10          2HD       LYS  10  -1.978  12.685  -0.919
   87   2HD   LYS  10          1HD       LYS  10  -0.597  13.643  -0.384
   88   1HE   LYS  10          2HE       LYS  10   0.626  11.383  -0.078
   89   2HE   LYS  10          1HE       LYS  10  -0.678  10.699  -1.070
   90   1HZ   LYS  10          1HZ       LYS  10   0.947  13.073  -1.815
   91   2HZ   LYS  10          2HZ       LYS  10  -0.246  12.325  -2.767
   92   3HZ   LYS  10          3HZ       LYS  10   1.203  11.509  -2.418
   93    H    ARG  11           H        ARG  11  -3.232  12.643   3.926
   94    HA   ARG  11           HA       ARG  11  -2.041  11.774   6.367
   95   1HB   ARG  11          2HB       ARG  11  -4.335  11.129   4.636
   96   2HB   ARG  11          1HB       ARG  11  -3.774   9.757   5.591
   97   1HG   ARG  11          2HG       ARG  11  -5.319  10.809   7.024
   98   2HG   ARG  11          1HG       ARG  11  -3.766  11.432   7.582
   99   1HD   ARG  11          2HD       ARG  11  -4.095  13.452   6.142
  100   2HD   ARG  11          1HD       ARG  11  -5.707  12.843   5.717
  101    HE   ARG  11           HE       ARG  11  -4.963  13.215   8.587
  102   1HH1  ARG  11          1HH1      ARG  11  -7.701  12.287   7.730
  103   2HH1  ARG  11          2HH1      ARG  11  -8.609  13.761   7.792
  104   1HH2  ARG  11          1HH2      ARG  11  -5.803  15.797   7.858
  105   2HH2  ARG  11          2HH2      ARG  11  -7.534  15.748   7.865
  106    HA   PRO  12           HA       PRO  12   0.873   8.838   4.759
  107   1HB   PRO  12          2HB       PRO  12   1.397   7.424   7.040
  108   2HB   PRO  12          1HB       PRO  12   2.041   9.052   6.742
  109   1HG   PRO  12          2HG       PRO  12  -0.236   8.201   8.444
  110   2HG   PRO  12          1HG       PRO  12   0.946   9.493   8.694
  111   1HD   PRO  12          2HD       PRO  12  -1.627   9.891   7.811
  112   2HD   PRO  12          1HD       PRO  12  -0.278  11.009   7.519
  113    HA   PRO  13           HA       PRO  13  -1.962   5.413   4.182
  114   1HB   PRO  13          2HB       PRO  13  -0.564   4.098   2.241
  115   2HB   PRO  13          1HB       PRO  13  -1.511   5.564   1.921
  116   1HG   PRO  13          2HG       PRO  13   1.409   5.215   2.123
  117   2HG   PRO  13          1HG       PRO  13   0.469   6.403   1.212
  118   1HD   PRO  13          2HD       PRO  13   1.794   6.831   3.653
  119   2HD   PRO  13          1HD       PRO  13   0.624   7.919   2.879
  120    H    SER  14           H        SER  14  -1.495   2.840   3.906
  121    HA   SER  14           HA       SER  14   0.866   1.844   5.308
  122   1HB   SER  14          2HB       SER  14  -0.521   2.903   7.100
  123   2HB   SER  14          1HB       SER  14  -1.838   1.809   6.685
  124    HG   SER  14           HG       SER  14  -0.810   0.710   8.220
  125    H    ALA  15           H        ALA  15   0.312   0.858   2.949
  126    HA   ALA  15           HA       ALA  15  -0.131  -1.111   1.778
  127   1HB   ALA  15          1HB       ALA  15  -1.218  -2.744   3.899
  128   2HB   ALA  15          2HB       ALA  15   0.169  -1.845   4.514
  129   3HB   ALA  15          3HB       ALA  15   0.347  -2.883   3.099
  130    H    PHE  16           H        PHE  16  -2.661  -1.440   4.297
  131    HA   PHE  16           HA       PHE  16  -4.806  -2.100   2.650
  132   1HB   PHE  16          2HB       PHE  16  -4.562  -1.923   5.202
  133   2HB   PHE  16          1HB       PHE  16  -4.998  -0.225   5.012
  134    HD1  PHE  16           1HD      PHE  16  -7.227   0.189   5.522
  135    HD2  PHE  16           2HD      PHE  16  -6.189  -3.453   3.494
  136    HE1  PHE  16           1HE      PHE  16  -9.625  -0.431   5.408
  137    HE2  PHE  16           2HE      PHE  16  -8.587  -4.073   3.380
  138    HZ   PHE  16           HZ       PHE  16 -10.306  -2.563   4.338
  139    H    PHE  17           H        PHE  17  -3.835   1.205   3.611
  140    HA   PHE  17           HA       PHE  17  -5.884   2.629   2.229
  141   1HB   PHE  17          2HB       PHE  17  -3.971   3.290   3.944
  142   2HB   PHE  17          1HB       PHE  17  -3.084   3.681   2.472
  143    HD1  PHE  17           1HD      PHE  17  -4.283   5.185   0.731
  144    HD2  PHE  17           2HD      PHE  17  -5.527   4.815   4.825
  145    HE1  PHE  17           1HE      PHE  17  -5.530   7.321   0.545
  146    HE2  PHE  17           2HE      PHE  17  -6.774   6.951   4.639
  147    HZ   PHE  17           HZ       PHE  17  -6.775   8.203   2.499
  148    H    LEU  18           H        LEU  18  -2.784   1.307   1.116
  149    HA   LEU  18           HA       LEU  18  -2.872   2.634  -1.483
  150   1HB   LEU  18          2HB       LEU  18  -1.274   0.198  -0.630
  151   2HB   LEU  18          1HB       LEU  18  -0.862   1.356  -1.887
  152    HG   LEU  18           HG       LEU  18  -0.916   1.868   1.107
  153   1HD1  LEU  18          1HD1      LEU  18   1.538   2.570   0.298
  154   2HD1  LEU  18          2HD1      LEU  18   1.184   1.370  -0.946
  155   3HD1  LEU  18          3HD1      LEU  18   1.141   0.914   0.756
  156   1HD2  LEU  18          1HD2      LEU  18  -0.601   3.732  -1.259
  157   2HD2  LEU  18          2HD2      LEU  18   0.072   4.128   0.323
  158   3HD2  LEU  18          3HD2      LEU  18  -1.668   3.910   0.134
  159    H    PHE  19           H        PHE  19  -3.901  -0.475  -0.161
  160    HA   PHE  19           HA       PHE  19  -4.341  -1.752  -2.747
  161   1HB   PHE  19          2HB       PHE  19  -3.826  -2.907  -0.595
  162   2HB   PHE  19          1HB       PHE  19  -5.392  -2.389   0.029
  163    HD1  PHE  19           1HD      PHE  19  -3.633  -4.815  -1.991
  164    HD2  PHE  19           2HD      PHE  19  -7.502  -3.133  -1.179
  165    HE1  PHE  19           1HE      PHE  19  -4.711  -6.777  -3.061
  166    HE2  PHE  19           2HE      PHE  19  -8.579  -5.095  -2.249
  167    HZ   PHE  19           HZ       PHE  19  -7.184  -6.916  -3.190
  168    H    CYS  20           H        CYS  20  -6.577  -0.565  -0.205
  169    HA   CYS  20           HA       CYS  20  -9.005  -0.937  -1.627
  170   1HB   CYS  20          2HB       CYS  20  -8.709  -0.420   0.798
  171   2HB   CYS  20          1HB       CYS  20  -8.263   1.231   0.366
  172    HG   CYS  20           HG       CYS  20 -11.083   0.225   0.574
  173    H    SER  21           H        SER  21  -7.013   2.031  -1.372
  174    HA   SER  21           HA       SER  21  -8.583   3.694  -3.060
  175   1HB   SER  21          2HB       SER  21  -6.525   5.030  -3.176
  176   2HB   SER  21          1HB       SER  21  -6.735   4.391  -1.549
  177    HG   SER  21           HG       SER  21  -5.047   3.135  -1.822
  178    H    GLU  22           H        GLU  22  -6.343   1.114  -3.873
  179    HA   GLU  22           HA       GLU  22  -6.280   1.943  -6.728
  180   1HB   GLU  22          2HB       GLU  22  -4.751   0.147  -4.908
  181   2HB   GLU  22          1HB       GLU  22  -4.716  -0.204  -6.634
  182   1HG   GLU  22          2HG       GLU  22  -4.066   2.500  -5.423
  183   2HG   GLU  22          1HG       GLU  22  -2.857   1.307  -5.902
  184    H    TYR  23           H        TYR  23  -7.690  -0.504  -4.622
  185    HA   TYR  23           HA       TYR  23  -8.441  -2.262  -6.863
  186   1HB   TYR  23          2HB       TYR  23  -8.499  -2.241  -3.896
  187   2HB   TYR  23          1HB       TYR  23  -9.765  -3.187  -4.676
  188    HD1  TYR  23           1HD      TYR  23  -6.066  -2.596  -4.807
  189    HD2  TYR  23           2HD      TYR  23  -9.298  -5.358  -5.423
  190    HE1  TYR  23           1HE      TYR  23  -4.433  -4.401  -5.282
  191    HE2  TYR  23           2HE      TYR  23  -7.666  -7.163  -5.898
  192    HH   TYR  23           HH       TYR  23  -5.334  -7.698  -5.443
  193    H    ARG  24           H        ARG  24 -10.025   0.124  -4.758
  194    HA   ARG  24           HA       ARG  24 -12.720  -0.329  -5.172
  195   1HB   ARG  24          2HB       ARG  24 -11.075   2.192  -5.029
  196   2HB   ARG  24          1HB       ARG  24 -12.836   2.236  -5.115
  197   1HG   ARG  24          2HG       ARG  24 -13.085   1.070  -3.070
  198   2HG   ARG  24          1HG       ARG  24 -11.404   0.535  -3.078
  199   1HD   ARG  24          2HD       ARG  24 -10.657   2.489  -2.157
  200   2HD   ARG  24          1HD       ARG  24 -11.760   3.477  -3.137
  201    HE   ARG  24           HE       ARG  24 -12.900   1.828  -0.932
  202   1HH1  ARG  24          1HH2      ARG  24 -11.453   4.396  -0.102
  203   2HH1  ARG  24          2HH2      ARG  24 -12.775   5.515  -0.051
  204   1HH2  ARG  24          1HH1      ARG  24 -14.924   3.467  -1.843
  205   2HH2  ARG  24          2HH1      ARG  24 -14.740   4.988  -1.037
  206    HA   PRO  25           HA       PRO  25 -12.728   2.184  -9.330
  207   1HB   PRO  25          2HB       PRO  25 -10.322   2.320 -10.653
  208   2HB   PRO  25          1HB       PRO  25 -10.919   3.594  -9.568
  209   1HG   PRO  25          2HG       PRO  25  -9.001   1.371  -8.992
  210   2HG   PRO  25          1HG       PRO  25  -8.888   3.091  -8.568
  211   1HD   PRO  25          2HD       PRO  25  -9.656   1.307  -6.761
  212   2HD   PRO  25          1HD       PRO  25 -10.439   2.900  -6.835
  213    H    LYS  26           H        LYS  26 -10.648  -0.574  -8.731
  214    HA   LYS  26           HA       LYS  26 -10.933  -1.852 -11.322
  215   1HB   LYS  26          2HB       LYS  26  -9.270  -2.249  -9.353
  216   2HB   LYS  26          1HB       LYS  26 -10.574  -3.212  -8.653
  217   1HG   LYS  26          2HG       LYS  26  -9.688  -3.681 -11.494
  218   2HG   LYS  26          1HG       LYS  26  -8.816  -4.420 -10.150
  219   1HD   LYS  26          2HD       LYS  26 -11.166  -5.191  -9.343
  220   2HD   LYS  26          1HD       LYS  26 -11.676  -4.842 -10.995
  221   1HE   LYS  26          2HE       LYS  26 -10.071  -6.419 -11.899
  222   2HE   LYS  26          1HE       LYS  26  -9.346  -6.664 -10.297
  223   1HZ   LYS  26          1HZ       LYS  26 -10.993  -8.388 -10.829
  224   2HZ   LYS  26          2HZ       LYS  26 -12.190  -7.192 -10.982
  225   3HZ   LYS  26          3HZ       LYS  26 -11.452  -7.472  -9.478
  226    H    ILE  27           H        ILE  27 -12.550  -2.185  -8.170
  227    HA   ILE  27           HA       ILE  27 -14.433  -4.204  -8.788
  228    HB   ILE  27           HB       ILE  27 -14.761  -1.745  -7.025
  229   1HG1  ILE  27          2HG1      ILE  27 -12.716  -2.848  -6.357
  230   2HG1  ILE  27          1HG1      ILE  27 -13.955  -3.263  -5.187
  231   1HG2  ILE  27          1HG2      ILE  27 -16.847  -2.966  -7.360
  232   2HG2  ILE  27          2HG2      ILE  27 -16.267  -3.202  -5.711
  233   3HG2  ILE  27          3HG2      ILE  27 -16.058  -4.478  -6.910
  234   1HD1  ILE  27          1HD1      ILE  27 -12.960  -5.332  -5.618
  235   2HD1  ILE  27          2HD1      ILE  27 -12.744  -4.979  -7.333
  236   3HD1  ILE  27          3HD1      ILE  27 -14.350  -5.345  -6.703
  237    H    LYS  28           H        LYS  28 -14.429  -0.766  -9.514
  238    HA   LYS  28           HA       LYS  28 -17.247  -0.591 -10.162
  239   1HB   LYS  28          2HB       LYS  28 -15.170   1.295 -11.266
  240   2HB   LYS  28          1HB       LYS  28 -16.787   1.648 -10.674
  241   1HG   LYS  28          2HG       LYS  28 -14.267   1.175  -9.123
  242   2HG   LYS  28          1HG       LYS  28 -15.344   2.547  -9.038
  243   1HD   LYS  28          2HD       LYS  28 -15.870  -0.243  -7.948
  244   2HD   LYS  28          1HD       LYS  28 -15.595   1.224  -7.018
  245   1HE   LYS  28          2HE       LYS  28 -17.885   1.029  -8.994
  246   2HE   LYS  28          1HE       LYS  28 -18.055   0.517  -7.304
  247   1HZ   LYS  28          1HZ       LYS  28 -17.161   3.182  -8.269
  248   2HZ   LYS  28          2HZ       LYS  28 -17.130   2.692  -6.643
  249   3HZ   LYS  28          3HZ       LYS  28 -18.612   2.835  -7.462
  250    H    SER  29           H        SER  29 -14.307  -1.169 -12.060
  251    HA   SER  29           HA       SER  29 -15.533  -0.975 -14.662
  252   1HB   SER  29          2HB       SER  29 -13.088  -0.889 -14.115
  253   2HB   SER  29          1HB       SER  29 -13.148  -2.607 -13.728
  254    HG   SER  29           HG       SER  29 -13.315  -3.073 -15.798
  255    H    GLU  30           H        GLU  30 -15.629  -3.437 -12.199
  256    HA   GLU  30           HA       GLU  30 -16.805  -5.374 -14.163
  257   1HB   GLU  30          2HB       GLU  30 -15.010  -5.586 -11.774
  258   2HB   GLU  30          1HB       GLU  30 -16.069  -6.943 -12.149
  259   1HG   GLU  30          2HG       GLU  30 -15.103  -6.464 -14.617
  260   2HG   GLU  30          1HG       GLU  30 -13.737  -5.887 -13.664
  261    H    HIS  31           H        HIS  31 -17.480  -3.421 -11.406
  262    HA   HIS  31           HA       HIS  31 -20.061  -4.894 -11.027
  263   1HB   HIS  31          2HB       HIS  31 -18.354  -3.671  -8.829
  264   2HB   HIS  31          1HB       HIS  31 -19.843  -4.583  -8.616
  265    HD1  HIS  31           1HD      HIS  31 -16.231  -4.998  -8.843
  266    HD2  HIS  31           2HD      HIS  31 -19.557  -7.413  -9.518
  267    HE1  HIS  31           1HE      HIS  31 -15.381  -7.380  -8.900
  268    HA   PRO  32           HA       PRO  32 -20.924  -0.480 -11.810
  269   1HB   PRO  32          2HB       PRO  32 -23.287  -0.894 -13.125
  270   2HB   PRO  32          1HB       PRO  32 -21.710  -0.971 -13.922
  271   1HG   PRO  32          2HG       PRO  32 -23.493  -3.168 -13.062
  272   2HG   PRO  32          1HG       PRO  32 -22.395  -3.076 -14.448
  273   1HD   PRO  32          2HD       PRO  32 -21.877  -4.436 -12.100
  274   2HD   PRO  32          1HD       PRO  32 -20.649  -3.903 -13.267
  275    H    GLY  33           H        GLY  33 -23.058  -3.037 -10.636
  276   1HA   GLY  33          2HA       GLY  33 -24.912  -1.219  -9.321
  277   2HA   GLY  33          1HA       GLY  33 -24.852  -2.969  -9.121
  278    H    LEU  34           H        LEU  34 -21.854  -2.654  -8.509
  279    HA   LEU  34           HA       LEU  34 -21.845  -2.875  -5.721
  280   1HB   LEU  34          2HB       LEU  34 -20.000  -2.661  -7.882
  281   2HB   LEU  34          1HB       LEU  34 -19.451  -1.545  -6.641
  282    HG   LEU  34           HG       LEU  34 -18.498  -3.848  -6.403
  283   1HD1  LEU  34          1HD1      LEU  34 -18.498  -3.696  -4.119
  284   2HD1  LEU  34          2HD1      LEU  34 -20.247  -3.492  -4.023
  285   3HD1  LEU  34          3HD1      LEU  34 -19.224  -2.132  -4.484
  286   1HD2  LEU  34          1HD2      LEU  34 -21.020  -4.903  -5.267
  287   2HD2  LEU  34          2HD2      LEU  34 -19.787  -5.724  -6.221
  288   3HD2  LEU  34          3HD2      LEU  34 -21.011  -4.739  -7.021
  289    H    SER  35           H        SER  35 -23.226  -1.248  -4.768
  290    HA   SER  35           HA       SER  35 -22.708   1.608  -5.116
  291   1HB   SER  35          2HB       SER  35 -24.391   1.723  -3.241
  292   2HB   SER  35          1HB       SER  35 -24.931   0.756  -4.609
  293    HG   SER  35           HG       SER  35 -25.301  -0.477  -2.833
  294    H    ILE  36           H        ILE  36 -22.114   2.990  -3.172
  295    HA   ILE  36           HA       ILE  36 -19.595   2.370  -2.082
  296    HB   ILE  36           HB       ILE  36 -21.846   4.212  -1.246
  297   1HG1  ILE  36          2HG1      ILE  36 -19.768   5.783  -1.922
  298   2HG1  ILE  36          1HG1      ILE  36 -19.336   4.351  -2.855
  299   1HG2  ILE  36          1HG2      ILE  36 -20.007   5.352   0.163
  300   2HG2  ILE  36          2HG2      ILE  36 -19.144   3.816   0.063
  301   3HG2  ILE  36          3HG2      ILE  36 -20.726   3.889   0.836
  302   1HD1  ILE  36          1HD1      ILE  36 -22.155   5.368  -2.975
  303   2HD1  ILE  36          2HD1      ILE  36 -21.235   4.480  -4.190
  304   3HD1  ILE  36          3HD1      ILE  36 -20.906   6.190  -3.909
  305    H    GLY  37           H        GLY  37 -22.783   1.410  -0.960
  306   1HA   GLY  37          2HA       GLY  37 -22.107   0.673   1.719
  307   2HA   GLY  37          1HA       GLY  37 -23.441  -0.016   0.789
  308    H    ASP  38           H        ASP  38 -22.502  -1.481  -1.126
  309    HA   ASP  38           HA       ASP  38 -21.060  -3.640   0.186
  310   1HB   ASP  38          2HB       ASP  38 -22.892  -4.012  -1.384
  311   2HB   ASP  38          1HB       ASP  38 -21.983  -3.215  -2.670
  312    H    THR  39           H        THR  39 -20.157  -0.995  -1.963
  313    HA   THR  39           HA       THR  39 -17.768  -1.949  -3.126
  314    HB   THR  39           HB       THR  39 -18.499   0.766  -1.995
  315    HG1  THR  39           1HG      THR  39 -18.530  -0.241  -4.642
  316   1HG2  THR  39          1HG2      THR  39 -16.152  -0.151  -3.633
  317   2HG2  THR  39          2HG2      THR  39 -16.184   0.970  -2.272
  318   3HG2  THR  39          3HG2      THR  39 -16.791   1.479  -3.848
  319    H    ALA  40           H        ALA  40 -18.218  -0.486   0.107
  320    HA   ALA  40           HA       ALA  40 -15.422  -0.867   0.887
  321   1HB   ALA  40          1HB       ALA  40 -16.486  -0.277   3.157
  322   2HB   ALA  40          2HB       ALA  40 -18.016  -0.150   2.289
  323   3HB   ALA  40          3HB       ALA  40 -16.679   0.927   1.882
  324    H    LYS  41           H        LYS  41 -18.537  -2.407   1.543
  325    HA   LYS  41           HA       LYS  41 -17.728  -4.468   3.321
  326   1HB   LYS  41          2HB       LYS  41 -20.008  -3.638   1.830
  327   2HB   LYS  41          1HB       LYS  41 -19.774  -5.343   1.465
  328   1HG   LYS  41          2HG       LYS  41 -20.807  -5.748   3.396
  329   2HG   LYS  41          1HG       LYS  41 -19.372  -5.189   4.222
  330   1HD   LYS  41          2HD       LYS  41 -21.792  -3.526   3.446
  331   2HD   LYS  41          1HD       LYS  41 -21.370  -4.046   5.079
  332   1HE   LYS  41          2HE       LYS  41 -19.391  -2.522   3.447
  333   2HE   LYS  41          1HE       LYS  41 -20.663  -1.644   4.315
  334   1HZ   LYS  41          1HZ       LYS  41 -18.823  -3.656   5.510
  335   2HZ   LYS  41          2HZ       LYS  41 -20.040  -2.807   6.336
  336   3HZ   LYS  41          3HZ       LYS  41 -18.694  -1.978   5.717
  337    H    LYS  42           H        LYS  42 -17.467  -4.203  -0.190
  338    HA   LYS  42           HA       LYS  42 -16.658  -7.008  -0.556
  339   1HB   LYS  42          2HB       LYS  42 -18.074  -5.389  -2.062
  340   2HB   LYS  42          1HB       LYS  42 -16.505  -4.766  -2.566
  341   1HG   LYS  42          2HG       LYS  42 -17.278  -6.516  -4.106
  342   2HG   LYS  42          1HG       LYS  42 -15.822  -7.039  -3.255
  343   1HD   LYS  42          2HD       LYS  42 -16.924  -8.683  -2.112
  344   2HD   LYS  42          1HD       LYS  42 -18.379  -7.707  -1.912
  345   1HE   LYS  42          2HE       LYS  42 -19.333  -8.521  -3.822
  346   2HE   LYS  42          1HE       LYS  42 -17.793  -8.523  -4.704
  347   1HZ   LYS  42          1HZ       LYS  42 -18.513 -10.422  -2.533
  348   2HZ   LYS  42          2HZ       LYS  42 -17.081 -10.436  -3.447
  349   3HZ   LYS  42          3HZ       LYS  42 -18.569 -10.786  -4.188
  350    H    LEU  43           H        LEU  43 -15.064  -4.222   0.498
  351    HA   LEU  43           HA       LEU  43 -12.517  -4.742  -0.918
  352   1HB   LEU  43          2HB       LEU  43 -13.692  -2.689   0.919
  353   2HB   LEU  43          1HB       LEU  43 -11.936  -2.815   0.833
  354    HG   LEU  43           HG       LEU  43 -13.591  -2.669  -1.679
  355   1HD1  LEU  43          1HD1      LEU  43 -12.983  -0.513   0.279
  356   2HD1  LEU  43          2HD1      LEU  43 -14.312  -0.644  -0.875
  357   3HD1  LEU  43          3HD1      LEU  43 -12.717  -0.128  -1.421
  358   1HD2  LEU  43          1HD2      LEU  43 -11.294  -3.278  -2.021
  359   2HD2  LEU  43          2HD2      LEU  43 -10.733  -2.041  -0.896
  360   3HD2  LEU  43          3HD2      LEU  43 -11.421  -1.572  -2.450
  361    H    GLY  44           H        GLY  44 -13.887  -4.876   2.367
  362   1HA   GLY  44          2HA       GLY  44 -11.486  -5.909   3.609
  363   2HA   GLY  44          1HA       GLY  44 -13.102  -5.923   4.322
  364    H    GLU  45           H        GLU  45 -14.304  -7.320   2.039
  365    HA   GLU  45           HA       GLU  45 -14.059 -10.031   2.876
  366   1HB   GLU  45          2HB       GLU  45 -15.104  -8.568   0.463
  367   2HB   GLU  45          1HB       GLU  45 -15.052 -10.331   0.441
  368   1HG   GLU  45          2HG       GLU  45 -16.249  -8.887   2.794
  369   2HG   GLU  45          1HG       GLU  45 -17.205  -9.151   1.335
  370    H    MET  46           H        MET  46 -12.747  -8.483  -0.080
  371    HA   MET  46           HA       MET  46 -11.150 -10.737  -0.896
  372   1HB   MET  46          2HB       MET  46 -11.118  -7.759  -1.451
  373   2HB   MET  46          1HB       MET  46 -10.003  -8.871  -2.245
  374   1HG   MET  46          2HG       MET  46 -11.939 -10.189  -3.074
  375   2HG   MET  46          1HG       MET  46 -13.031  -9.019  -2.332
  376   1HE   MET  46          1HE       MET  46 -13.578  -8.189  -5.970
  377   2HE   MET  46          2HE       MET  46 -14.039  -9.162  -4.576
  378   3HE   MET  46          3HE       MET  46 -12.826  -9.768  -5.702
  379    H    TRP  47           H        TRP  47 -10.209  -7.637   0.642
  380    HA   TRP  47           HA       TRP  47  -7.484  -8.134   1.103
  381   1HB   TRP  47          2HB       TRP  47  -8.777  -6.030   1.521
  382   2HB   TRP  47          1HB       TRP  47  -9.454  -6.775   2.970
  383    HD1  TRP  47           HD       TRP  47  -8.176  -6.279   5.099
  384    HE1  TRP  47           1HE      TRP  47  -5.758  -5.613   5.697
  385    HE3  TRP  47           3HE      TRP  47  -6.062  -6.368   0.451
  386    HZ2  TRP  47           2HZ      TRP  47  -3.257  -5.175   4.377
  387    HZ3  TRP  47           3HZ      TRP  47  -3.663  -5.823   0.150
  388    HH2  TRP  47           HH       TRP  47  -2.259  -5.227   2.106
  389    H    SER  48           H        SER  48 -10.110  -8.759   3.477
  390    HA   SER  48           HA       SER  48  -8.496 -10.130   5.389
  391   1HB   SER  48          2HB       SER  48 -10.765  -9.185   5.760
  392   2HB   SER  48          1HB       SER  48 -11.443 -10.432   4.717
  393    HG   SER  48           HG       SER  48 -10.319 -10.626   7.280
  394    H    GLU  49           H        GLU  49 -10.223 -11.278   2.517
  395    HA   GLU  49           HA       GLU  49 -10.052 -14.094   2.988
  396   1HB   GLU  49          2HB       GLU  49 -10.451 -12.222   0.715
  397   2HB   GLU  49          1HB       GLU  49  -9.937 -13.851   0.281
  398   1HG   GLU  49          2HG       GLU  49 -11.801 -14.808   1.552
  399   2HG   GLU  49          1HG       GLU  49 -12.302 -13.195   2.062
  400    H    GLN  50           H        GLN  50  -7.785 -11.816   1.454
  401    HA   GLN  50           HA       GLN  50  -5.861 -13.657   0.470
  402   1HB   GLN  50          2HB       GLN  50  -5.637 -10.852   1.604
  403   2HB   GLN  50          1HB       GLN  50  -4.329 -11.658   0.737
  404   1HG   GLN  50          2HG       GLN  50  -7.058 -11.505  -0.510
  405   2HG   GLN  50          1HG       GLN  50  -5.986 -10.106  -0.585
  406   1HE2  GLN  50          1HE2      GLN  50  -6.595 -13.271  -1.904
  407   2HE2  GLN  50          2HE2      GLN  50  -5.256 -13.318  -2.946
  408    H    SER  51           H        SER  51  -3.827 -14.336   1.400
  409    HA   SER  51           HA       SER  51  -3.984 -14.873   4.314
  410   1HB   SER  51          2HB       SER  51  -3.530 -16.625   2.557
  411   2HB   SER  51          1HB       SER  51  -2.018 -15.799   2.189
  412    HG   SER  51           HG       SER  51  -2.554 -17.541   4.144
  413    H    ALA  52           H        ALA  52  -1.009 -15.114   4.478
  414    HA   ALA  52           HA       ALA  52  -0.420 -12.287   5.086
  415   1HB   ALA  52          1HB       ALA  52   1.060 -14.909   5.458
  416   2HB   ALA  52          2HB       ALA  52   0.138 -14.036   6.682
  417   3HB   ALA  52          3HB       ALA  52   1.642 -13.356   6.059
  418    H    LYS  53           H        LYS  53  -0.675 -12.518   2.331
  419    HA   LYS  53           HA       LYS  53   2.166 -12.340   1.388
  420   1HB   LYS  53          2HB       LYS  53  -0.204 -13.852   0.410
  421   2HB   LYS  53          1HB       LYS  53   0.808 -13.106  -0.827
  422   1HG   LYS  53          2HG       LYS  53   1.963 -15.081  -0.599
  423   2HG   LYS  53          1HG       LYS  53   2.746 -14.175   0.695
  424   1HD   LYS  53          2HD       LYS  53   0.820 -15.086   2.190
  425   2HD   LYS  53          1HD       LYS  53   0.594 -16.271   0.902
  426   1HE   LYS  53          2HE       LYS  53   2.128 -17.358   2.329
  427   2HE   LYS  53          1HE       LYS  53   3.202 -16.602   1.135
  428   1HZ   LYS  53          1HZ       LYS  53   3.392 -14.670   2.570
  429   2HZ   LYS  53          2HZ       LYS  53   3.895 -16.065   3.399
  430   3HZ   LYS  53          3HZ       LYS  53   2.369 -15.388   3.717
  431    H    ASP  54           H        ASP  54  -1.219 -11.355   0.807
  432    HA   ASP  54           HA       ASP  54  -0.731  -9.346  -1.148
  433   1HB   ASP  54          2HB       ASP  54  -2.903 -10.447  -0.146
  434   2HB   ASP  54          1HB       ASP  54  -2.846  -9.084   0.974
  435    H    LYS  55           H        LYS  55  -0.401  -9.264   2.379
  436    HA   LYS  55           HA       LYS  55   0.039  -6.330   2.358
  437   1HB   LYS  55          2HB       LYS  55  -1.380  -7.492   4.050
  438   2HB   LYS  55          1HB       LYS  55   0.045  -8.371   4.603
  439   1HG   LYS  55          2HG       LYS  55   1.034  -6.463   5.509
  440   2HG   LYS  55          1HG       LYS  55   0.125  -5.372   4.462
  441   1HD   LYS  55          2HD       LYS  55  -1.965  -6.285   5.729
  442   2HD   LYS  55          1HD       LYS  55  -0.797  -6.808   6.943
  443   1HE   LYS  55          2HE       LYS  55   0.093  -4.432   6.985
  444   2HE   LYS  55          1HE       LYS  55  -1.294  -3.975   5.977
  445   1HZ   LYS  55          1HZ       LYS  55  -1.827  -3.748   8.329
  446   2HZ   LYS  55          2HZ       LYS  55  -1.444  -5.382   8.592
  447   3HZ   LYS  55          3HZ       LYS  55  -2.771  -4.964   7.616
  448    H    GLN  56           H        GLN  56   2.020  -8.452   1.233
  449    HA   GLN  56           HA       GLN  56   4.338  -7.931   3.023
  450   1HB   GLN  56          2HB       GLN  56   3.558  -9.954   0.993
  451   2HB   GLN  56          1HB       GLN  56   5.277  -9.598   1.121
  452   1HG   GLN  56          2HG       GLN  56   4.711 -11.426   2.631
  453   2HG   GLN  56          1HG       GLN  56   5.136 -10.001   3.579
  454   1HE2  GLN  56          1HE2      GLN  56   3.803 -10.565   5.416
  455   2HE2  GLN  56          2HE2      GLN  56   2.107 -10.574   5.333
  456    HA   PRO  57           HA       PRO  57   6.062  -6.170  -1.011
  457   1HB   PRO  57          2HB       PRO  57   4.622  -6.222  -3.321
  458   2HB   PRO  57          1HB       PRO  57   5.671  -7.562  -2.812
  459   1HG   PRO  57          2HG       PRO  57   2.727  -7.298  -2.650
  460   2HG   PRO  57          1HG       PRO  57   3.713  -8.727  -2.982
  461   1HD   PRO  57          2HD       PRO  57   2.531  -8.164  -0.568
  462   2HD   PRO  57          1HD       PRO  57   3.944  -9.218  -0.778
  463    H    TYR  58           H        TYR  58   2.525  -5.803  -0.894
  464    HA   TYR  58           HA       TYR  58   2.562  -3.014  -1.761
  465   1HB   TYR  58          2HB       TYR  58   0.619  -5.094  -0.909
  466   2HB   TYR  58          1HB       TYR  58   0.105  -3.421  -0.702
  467    HD1  TYR  58           1HD      TYR  58   1.056  -6.018  -3.126
  468    HD2  TYR  58           2HD      TYR  58  -0.154  -1.927  -2.627
  469    HE1  TYR  58           1HE      TYR  58   0.582  -5.862  -5.556
  470    HE2  TYR  58           2HE      TYR  58  -0.626  -1.771  -5.056
  471    HH   TYR  58           HH       TYR  58   0.512  -3.547  -7.268
  472    H    GLU  59           H        GLU  59   3.597  -4.299   1.133
  473    HA   GLU  59           HA       GLU  59   2.355  -2.185   2.817
  474   1HB   GLU  59          2HB       GLU  59   3.131  -3.537   4.661
  475   2HB   GLU  59          1HB       GLU  59   2.443  -4.625   3.464
  476   1HG   GLU  59          2HG       GLU  59   4.391  -5.773   3.546
  477   2HG   GLU  59          1HG       GLU  59   5.125  -4.411   2.706
  478    H    GLN  60           H        GLN  60   5.338  -2.889   1.168
  479    HA   GLN  60           HA       GLN  60   7.048  -1.241   2.863
  480   1HB   GLN  60          2HB       GLN  60   8.696  -1.703   1.111
  481   2HB   GLN  60          1HB       GLN  60   7.803  -3.177   1.476
  482   1HG   GLN  60          2HG       GLN  60   6.235  -2.304  -0.491
  483   2HG   GLN  60          1HG       GLN  60   7.701  -1.453  -0.970
  484   1HE2  GLN  60          1HE2      GLN  60   6.623  -3.582  -2.566
  485   2HE2  GLN  60          2HE2      GLN  60   7.711  -4.885  -2.520
  486    H    LYS  61           H        LYS  61   4.929  -0.685   0.135
  487    HA   LYS  61           HA       LYS  61   6.015   1.738  -0.912
  488   1HB   LYS  61          2HB       LYS  61   4.234   0.390  -1.959
  489   2HB   LYS  61          1HB       LYS  61   3.148   0.770  -0.626
  490   1HG   LYS  61          2HG       LYS  61   2.983   3.044  -1.252
  491   2HG   LYS  61          1HG       LYS  61   4.416   2.954  -2.276
  492   1HD   LYS  61          2HD       LYS  61   3.029   1.166  -3.601
  493   2HD   LYS  61          1HD       LYS  61   1.644   1.919  -2.809
  494   1HE   LYS  61          2HE       LYS  61   2.210   4.092  -3.749
  495   2HE   LYS  61          1HE       LYS  61   3.718   3.444  -4.426
  496   1HZ   LYS  61          1HZ       LYS  61   1.932   3.435  -6.076
  497   2HZ   LYS  61          2HZ       LYS  61   0.986   2.456  -5.058
  498   3HZ   LYS  61          3HZ       LYS  61   2.437   1.858  -5.709
  499    H    ALA  62           H        ALA  62   3.789   1.138   1.796
  500    HA   ALA  62           HA       ALA  62   3.290   3.919   2.418
  501   1HB   ALA  62          1HB       ALA  62   2.536   2.848   4.608
  502   2HB   ALA  62          2HB       ALA  62   3.080   1.309   3.942
  503   3HB   ALA  62          3HB       ALA  62   1.779   2.201   3.153
  504    H    ALA  63           H        ALA  63   6.090   1.969   2.833
  505    HA   ALA  63           HA       ALA  63   7.052   3.355   5.253
  506   1HB   ALA  63          1HB       ALA  63   8.562   1.516   3.387
  507   2HB   ALA  63          2HB       ALA  63   7.401   0.898   4.562
  508   3HB   ALA  63          3HB       ALA  63   8.830   1.773   5.112
  509    H    LYS  64           H        LYS  64   6.712   4.393   2.158
  510    HA   LYS  64           HA       LYS  64   9.386   5.720   1.997
  511   1HB   LYS  64          2HB       LYS  64   7.166   5.059   0.050
  512   2HB   LYS  64          1HB       LYS  64   8.437   6.207  -0.366
  513   1HG   LYS  64          2HG       LYS  64   8.993   3.397   0.614
  514   2HG   LYS  64          1HG       LYS  64   8.893   3.825  -1.094
  515   1HD   LYS  64          2HD       LYS  64  10.670   5.573  -0.666
  516   2HD   LYS  64          1HD       LYS  64  10.862   4.888   0.947
  517   1HE   LYS  64          2HE       LYS  64  11.811   2.919   0.149
  518   2HE   LYS  64          1HE       LYS  64  10.985   3.039  -1.418
  519   1HZ   LYS  64          1HZ       LYS  64  12.328   4.971  -1.950
  520   2HZ   LYS  64          2HZ       LYS  64  13.330   3.642  -1.611
  521   3HZ   LYS  64          3HZ       LYS  64  13.121   4.868  -0.455
  522    H    LEU  65           H        LEU  65   5.902   6.232   2.091
  523    HA   LEU  65           HA       LEU  65   6.041   9.140   1.845
  524   1HB   LEU  65          2HB       LEU  65   4.022   6.993   2.262
  525   2HB   LEU  65          1HB       LEU  65   3.573   8.610   2.801
  526    HG   LEU  65           HG       LEU  65   4.428   9.384   0.473
  527   1HD1  LEU  65          1HD1      LEU  65   5.521   7.386  -0.272
  528   2HD1  LEU  65          2HD1      LEU  65   4.060   7.541  -1.247
  529   3HD1  LEU  65          3HD1      LEU  65   4.107   6.399   0.095
  530   1HD2  LEU  65          1HD2      LEU  65   1.916   7.710   0.782
  531   2HD2  LEU  65          2HD2      LEU  65   2.211   8.842  -0.537
  532   3HD2  LEU  65          3HD2      LEU  65   2.067   9.434   1.118
  533    H    LYS  66           H        LYS  66   6.949   7.119   4.364
  534    HA   LYS  66           HA       LYS  66   5.845   8.750   6.565
  535   1HB   LYS  66          2HB       LYS  66   6.092   6.235   6.584
  536   2HB   LYS  66          1HB       LYS  66   7.841   6.463   6.570
  537   1HG   LYS  66          2HG       LYS  66   7.750   7.676   8.676
  538   2HG   LYS  66          1HG       LYS  66   5.988   7.616   8.673
  539   1HD   LYS  66          2HD       LYS  66   5.949   5.280   9.041
  540   2HD   LYS  66          1HD       LYS  66   7.640   5.094   8.577
  541   1HE   LYS  66          2HE       LYS  66   8.140   6.653  10.609
  542   2HE   LYS  66          1HE       LYS  66   6.507   6.204  11.141
  543   1HZ   LYS  66          1HZ       LYS  66   7.099   3.871  10.837
  544   2HZ   LYS  66          2HZ       LYS  66   8.129   4.615  11.965
  545   3HZ   LYS  66          3HZ       LYS  66   8.673   4.313  10.384
  546    H    GLU  67           H        GLU  67   8.799   8.389   4.694
  547    HA   GLU  67           HA       GLU  67  10.467   9.911   6.576
  548   1HB   GLU  67          2HB       GLU  67  10.704   8.505   3.956
  549   2HB   GLU  67          1HB       GLU  67  11.885   9.773   4.288
  550   1HG   GLU  67          2HG       GLU  67  12.602   8.691   6.312
  551   2HG   GLU  67          1HG       GLU  67  11.266   7.543   6.239
  552    H    LYS  68           H        LYS  68   8.252  10.654   4.018
  553    HA   LYS  68           HA       LYS  68   9.468  13.337   3.554
  554   1HB   LYS  68          2HB       LYS  68   7.339  11.663   2.194
  555   2HB   LYS  68          1HB       LYS  68   7.681  13.329   1.725
  556   1HG   LYS  68          2HG       LYS  68  10.135  12.583   1.513
  557   2HG   LYS  68          1HG       LYS  68   9.512  10.934   1.572
  558   1HD   LYS  68          2HD       LYS  68   9.602  11.440  -0.740
  559   2HD   LYS  68          1HD       LYS  68   7.907  11.668  -0.309
  560   1HE   LYS  68          2HE       LYS  68   8.072  14.016  -0.375
  561   2HE   LYS  68          1HE       LYS  68   9.837  13.987  -0.189
  562   1HZ   LYS  68          1HZ       LYS  68   8.336  12.913  -2.520
  563   2HZ   LYS  68          2HZ       LYS  68  10.025  12.908  -2.334
  564   3HZ   LYS  68          3HZ       LYS  68   9.190  14.378  -2.503
  565    H    TYR  69           H        TYR  69   6.694  11.721   4.982
  566    HA   TYR  69           HA       TYR  69   5.062  14.124   5.283
  567   1HB   TYR  69          2HB       TYR  69   4.137  11.841   5.108
  568   2HB   TYR  69          1HB       TYR  69   4.993  11.371   6.574
  569    HD1  TYR  69           1HD      TYR  69   4.441  12.587   8.752
  570    HD2  TYR  69           2HD      TYR  69   2.016  12.900   5.221
  571    HE1  TYR  69           1HE      TYR  69   2.548  13.409  10.127
  572    HE2  TYR  69           2HE      TYR  69   0.123  13.725   6.596
  573    HH   TYR  69           HH       TYR  69   0.471  14.828   9.727
  574    H    GLU  70           H        GLU  70   6.926  12.063   7.542
  575    HA   GLU  70           HA       GLU  70   6.598  13.822   9.815
  576   1HB   GLU  70          2HB       GLU  70   8.414  11.519   9.088
  577   2HB   GLU  70          1HB       GLU  70   8.532  12.330  10.651
  578   1HG   GLU  70          2HG       GLU  70   6.021  11.922  10.897
  579   2HG   GLU  70          1HG       GLU  70   6.159  10.844   9.508
  580    H    LYS  71           H        LYS  71   8.531  14.214   7.026
  581    HA   LYS  71           HA       LYS  71  10.539  15.850   8.527
  582   1HB   LYS  71          2HB       LYS  71  10.498  14.290   5.957
  583   2HB   LYS  71          1HB       LYS  71  11.650  15.612   6.147
  584   1HG   LYS  71          2HG       LYS  71  12.278  14.511   8.388
  585   2HG   LYS  71          1HG       LYS  71  11.405  13.096   7.798
  586   1HD   LYS  71          2HD       LYS  71  12.851  13.286   5.684
  587   2HD   LYS  71          1HD       LYS  71  13.856  14.402   6.608
  588   1HE   LYS  71          2HE       LYS  71  13.886  12.519   8.419
  589   2HE   LYS  71          1HE       LYS  71  13.384  11.462   7.084
  590   1HZ   LYS  71          1HZ       LYS  71  15.808  11.630   7.222
  591   2HZ   LYS  71          2HZ       LYS  71  15.709  13.316   7.029
  592   3HZ   LYS  71          3HZ       LYS  71  15.227  12.283   5.769
  593    H    ASP  72           H        ASP  72   8.193  15.865   5.871
  594    HA   ASP  72           HA       ASP  72   8.789  18.659   5.148
  595   1HB   ASP  72          2HB       ASP  72   8.177  16.788   3.561
  596   2HB   ASP  72          1HB       ASP  72   6.555  16.815   4.254
  597    H    ILE  73           H        ILE  73   6.372  16.876   7.021
  598    HA   ILE  73           HA       ILE  73   4.408  18.973   7.173
  599    HB   ILE  73           HB       ILE  73   4.196  16.474   7.675
  600   1HG1  ILE  73          2HG1      ILE  73   2.707  17.053   9.799
  601   2HG1  ILE  73          1HG1      ILE  73   3.083  18.709   9.321
  602   1HG2  ILE  73          1HG2      ILE  73   4.797  15.624   9.806
  603   2HG2  ILE  73          2HG2      ILE  73   5.100  17.236  10.455
  604   3HG2  ILE  73          3HG2      ILE  73   6.213  16.536   9.280
  605   1HD1  ILE  73          1HD1      ILE  73   2.222  18.292   7.071
  606   2HD1  ILE  73          2HD1      ILE  73   0.988  17.877   8.260
  607   3HD1  ILE  73          3HD1      ILE  73   1.920  16.603   7.475
  608    H    ALA  74           H        ALA  74   7.431  18.439   8.848
  609    HA   ALA  74           HA       ALA  74   7.071  19.900  11.244
  610   1HB   ALA  74          1HB       ALA  74   9.437  19.622   9.365
  611   2HB   ALA  74          2HB       ALA  74   9.056  18.592  10.745
  612   3HB   ALA  74          3HB       ALA  74   9.558  20.264  11.004
  613    H    ALA  75           H        ALA  75   7.527  21.035   7.940
  614    HA   ALA  75           HA       ALA  75   7.911  23.845   8.728
  615   1HB   ALA  75          1HB       ALA  75   8.033  24.162   6.307
  616   2HB   ALA  75          2HB       ALA  75   7.364  22.554   6.037
  617   3HB   ALA  75          3HB       ALA  75   8.968  22.733   6.747
  618    H    TYR  76           H        TYR  76   5.216  21.757   8.319
  619    HA   TYR  76           HA       TYR  76   3.375  24.015   7.661
  620   1HB   TYR  76          2HB       TYR  76   3.468  21.822   6.347
  621   2HB   TYR  76          1HB       TYR  76   2.820  21.037   7.789
  622    HD1  TYR  76           1HD      TYR  76   2.158  23.825   5.384
  623    HD2  TYR  76           2HD      TYR  76   0.502  21.056   8.220
  624    HE1  TYR  76           1HE      TYR  76  -0.130  24.530   4.738
  625    HE2  TYR  76           2HE      TYR  76  -1.786  21.762   7.574
  626    HH   TYR  76           HH       TYR  76  -2.621  23.111   4.955
  627    H    ARG  77           H        ARG  77   4.674  23.396  10.353
  628    HA   ARG  77           HA       ARG  77   2.141  23.093  11.936
  629   1HB   ARG  77          2HB       ARG  77   4.854  21.835  12.159
  630   2HB   ARG  77          1HB       ARG  77   3.916  22.095  13.631
  631   1HG   ARG  77          2HG       ARG  77   1.965  20.988  12.302
  632   2HG   ARG  77          1HG       ARG  77   3.243  20.383  11.248
  633   1HD   ARG  77          2HD       ARG  77   4.076  18.956  12.856
  634   2HD   ARG  77          1HD       ARG  77   3.652  20.049  14.188
  635    HE   ARG  77           HE       ARG  77   1.202  19.411  13.556
  636   1HH1  ARG  77          1HH1      ARG  77   3.491  17.438  14.799
  637   2HH1  ARG  77          2HH1      ARG  77   2.821  15.942  14.238
  638   1HH2  ARG  77          1HH2      ARG  77   0.526  17.456  12.126
  639   2HH2  ARG  77          2HH2      ARG  77   1.142  15.953  12.725
  640    H    ALA  78           H        ALA  78   5.350  24.618  11.713
  641    HA   ALA  78           HA       ALA  78   6.246  26.510  12.800
  642   1HB   ALA  78          1HB       ALA  78   4.073  27.274  11.630
  643   2HB   ALA  78          2HB       ALA  78   4.713  28.325  12.893
  644   3HB   ALA  78          3HB       ALA  78   3.351  27.260  13.239
  645    H    LYS  79           H        LYS  79   6.784  24.850  14.588
  646    HA   LYS  79           HA       LYS  79   5.200  25.327  17.082
  647   1HB   LYS  79          2HB       LYS  79   5.993  23.025  15.887
  648   2HB   LYS  79          1HB       LYS  79   7.378  23.308  16.944
  649   1HG   LYS  79          2HG       LYS  79   6.058  22.213  18.464
  650   2HG   LYS  79          1HG       LYS  79   5.380  23.825  18.687
  651   1HD   LYS  79          2HD       LYS  79   4.276  22.008  16.558
  652   2HD   LYS  79          1HD       LYS  79   3.755  21.827  18.234
  653   1HE   LYS  79          2HE       LYS  79   3.223  24.321  18.225
  654   2HE   LYS  79          1HE       LYS  79   3.470  24.276  16.467
  655   1HZ   LYS  79          1HZ       LYS  79   1.891  22.408  16.371
  656   2HZ   LYS  79          2HZ       LYS  79   1.166  23.832  16.948
  657   3HZ   LYS  79          3HZ       LYS  79   1.583  22.590  18.029
  Start of MODEL   24
    1   1H    MET   1          1HT       MET   1  -8.813  16.613  -4.421
    2   2H    MET   1          2HT       MET   1  -7.725  17.885  -4.715
    3   3H    MET   1          3HT       MET   1  -8.182  16.844  -5.979
    4    HA   MET   1           HA       MET   1  -9.358  18.943  -6.194
    5   1HB   MET   1          2HB       MET   1 -10.276  16.500  -6.554
    6   2HB   MET   1          1HB       MET   1 -11.306  16.890  -5.176
    7   1HG   MET   1          2HG       MET   1 -12.567  17.531  -7.090
    8   2HG   MET   1          1HG       MET   1 -11.918  19.037  -6.440
    9   1HE   MET   1          1HE       MET   1 -13.115  18.998  -8.926
   10   2HE   MET   1          2HE       MET   1 -12.088  19.303 -10.325
   11   3HE   MET   1          3HE       MET   1 -12.063  20.419  -8.962
   12    H    LYS   2           H        LYS   2 -10.489  17.215  -3.258
   13    HA   LYS   2           HA       LYS   2 -10.753  19.862  -1.886
   14   1HB   LYS   2          2HB       LYS   2 -12.793  17.855  -2.633
   15   2HB   LYS   2          1HB       LYS   2 -12.904  18.443  -0.973
   16   1HG   LYS   2          2HG       LYS   2 -12.444  20.770  -2.400
   17   2HG   LYS   2          1HG       LYS   2 -13.468  19.844  -3.493
   18   1HD   LYS   2          2HD       LYS   2 -14.888  19.404  -1.317
   19   2HD   LYS   2          1HD       LYS   2 -14.067  20.853  -0.736
   20   1HE   LYS   2          2HE       LYS   2 -15.107  21.142  -3.473
   21   2HE   LYS   2          1HE       LYS   2 -16.366  20.848  -2.259
   22   1HZ   LYS   2          1HZ       LYS   2 -15.388  22.569  -0.870
   23   2HZ   LYS   2          2HZ       LYS   2 -15.824  23.207  -2.383
   24   3HZ   LYS   2          3HZ       LYS   2 -14.196  22.866  -2.040
   25    H    LYS   3           H        LYS   3  -8.619  18.815  -1.032
   26    HA   LYS   3           HA       LYS   3  -9.119  17.711   1.594
   27   1HB   LYS   3          2HB       LYS   3  -9.446  15.782  -0.045
   28   2HB   LYS   3          1HB       LYS   3  -7.725  15.915  -0.405
   29   1HG   LYS   3          2HG       LYS   3  -7.159  15.495   1.928
   30   2HG   LYS   3          1HG       LYS   3  -8.866  15.484   2.370
   31   1HD   LYS   3          2HD       LYS   3  -7.785  13.592   0.286
   32   2HD   LYS   3          1HD       LYS   3  -7.714  13.195   2.003
   33   1HE   LYS   3          2HE       LYS   3 -10.105  13.276   2.217
   34   2HE   LYS   3          1HE       LYS   3 -10.284  14.010   0.610
   35   1HZ   LYS   3          1HZ       LYS   3  -9.132  11.328   1.176
   36   2HZ   LYS   3          2HZ       LYS   3  -9.256  12.042  -0.360
   37   3HZ   LYS   3          3HZ       LYS   3 -10.660  11.623   0.501
   38    H    LYS   4           H        LYS   4  -6.637  17.874  -0.984
   39    HA   LYS   4           HA       LYS   4  -4.915  19.577   0.605
   40   1HB   LYS   4          2HB       LYS   4  -4.699  16.634   0.669
   41   2HB   LYS   4          1HB       LYS   4  -3.175  17.461   0.353
   42   1HG   LYS   4          2HG       LYS   4  -4.098  19.003   2.369
   43   2HG   LYS   4          1HG       LYS   4  -4.865  17.474   2.800
   44   1HD   LYS   4          2HD       LYS   4  -2.814  16.367   3.055
   45   2HD   LYS   4          1HD       LYS   4  -1.948  17.542   2.066
   46   1HE   LYS   4          2HE       LYS   4  -2.053  19.211   3.803
   47   2HE   LYS   4          1HE       LYS   4  -3.180  18.224   4.756
   48   1HZ   LYS   4          1HZ       LYS   4  -1.500  16.488   4.880
   49   2HZ   LYS   4          2HZ       LYS   4  -0.907  17.936   5.541
   50   3HZ   LYS   4          3HZ       LYS   4  -0.416  17.442   3.991
   51    H    ASP   5           H        ASP   5  -2.477  19.053  -0.583
   52    HA   ASP   5           HA       ASP   5  -3.052  19.401  -3.509
   53   1HB   ASP   5          2HB       ASP   5  -1.525  20.897  -1.484
   54   2HB   ASP   5          1HB       ASP   5  -0.613  20.602  -2.964
   55    HA   PRO   6           HA       PRO   6  -0.150  16.206  -4.410
   56   1HB   PRO   6          2HB       PRO   6   1.547  17.256  -6.285
   57   2HB   PRO   6          1HB       PRO   6  -0.134  16.813  -6.642
   58   1HG   PRO   6          2HG       PRO   6   1.035  19.494  -6.079
   59   2HG   PRO   6          1HG       PRO   6  -0.196  19.026  -7.263
   60   1HD   PRO   6          2HD       PRO   6  -0.798  20.224  -4.904
   61   2HD   PRO   6          1HD       PRO   6  -1.895  19.088  -5.719
   62    H    ASN   7           H        ASN   7   1.357  19.347  -3.769
   63    HA   ASN   7           HA       ASN   7   3.960  18.237  -3.051
   64   1HB   ASN   7          2HB       ASN   7   2.637  20.933  -2.609
   65   2HB   ASN   7          1HB       ASN   7   4.350  20.604  -2.344
   66   1HD2  ASN   7          1HD2      ASN   7   5.620  19.882  -4.304
   67   2HD2  ASN   7          2HD2      ASN   7   5.114  20.393  -5.842
   68    H    ALA   8           H        ALA   8   0.959  18.416  -1.390
   69    HA   ALA   8           HA       ALA   8   2.260  18.463   1.291
   70   1HB   ALA   8          1HB       ALA   8  -0.608  18.615   0.307
   71   2HB   ALA   8          2HB       ALA   8   0.360  19.942   0.953
   72   3HB   ALA   8          3HB       ALA   8  -0.159  18.630   2.013
   73    HA   PRO   9           HA       PRO   9   1.869  14.015   1.196
   74   1HB   PRO   9          2HB       PRO   9   2.486  13.487   3.808
   75   2HB   PRO   9          1HB       PRO   9   3.707  13.899   2.587
   76   1HG   PRO   9          2HG       PRO   9   2.498  15.596   4.702
   77   2HG   PRO   9          1HG       PRO   9   4.152  15.577   4.074
   78   1HD   PRO   9          2HD       PRO   9   2.264  17.444   3.383
   79   2HD   PRO   9          1HD       PRO   9   3.657  17.008   2.370
   80    H    LYS  10           H        LYS  10  -0.278  13.449   0.989
   81    HA   LYS  10           HA       LYS  10  -2.430  14.229   2.668
   82   1HB   LYS  10          2HB       LYS  10  -3.606  12.367   1.516
   83   2HB   LYS  10          1HB       LYS  10  -2.645  13.322   0.388
   84   1HG   LYS  10          2HG       LYS  10  -0.917  11.306   1.390
   85   2HG   LYS  10          1HG       LYS  10  -2.439  10.505   1.012
   86   1HD   LYS  10          2HD       LYS  10  -2.394  11.310  -1.255
   87   2HD   LYS  10          1HD       LYS  10  -1.034  12.378  -0.908
   88   1HE   LYS  10          2HE       LYS  10  -0.109  10.445  -2.012
   89   2HE   LYS  10          1HE       LYS  10   0.282  10.257  -0.291
   90   1HZ   LYS  10          1HZ       LYS  10  -0.723   8.236  -1.179
   91   2HZ   LYS  10          2HZ       LYS  10  -2.097   9.112  -1.659
   92   3HZ   LYS  10          3HZ       LYS  10  -1.726   8.944  -0.010
   93    H    ARG  11           H        ARG  11  -3.728  11.859   3.437
   94    HA   ARG  11           HA       ARG  11  -2.763  11.351   6.040
   95   1HB   ARG  11          2HB       ARG  11  -4.645  10.101   4.096
   96   2HB   ARG  11          1HB       ARG  11  -4.187   9.127   5.494
   97   1HG   ARG  11          2HG       ARG  11  -6.089  10.316   6.235
   98   2HG   ARG  11          1HG       ARG  11  -4.736  11.238   6.890
   99   1HD   ARG  11          2HD       ARG  11  -4.865  12.720   4.832
  100   2HD   ARG  11          1HD       ARG  11  -6.380  11.892   4.423
  101    HE   ARG  11           HE       ARG  11  -6.487  12.710   7.165
  102   1HH1  ARG  11          1HH2      ARG  11  -5.361  14.905   5.085
  103   2HH1  ARG  11          2HH2      ARG  11  -6.783  15.891   4.983
  104   1HH2  ARG  11          1HH1      ARG  11  -8.827  13.572   6.554
  105   2HH2  ARG  11          2HH1      ARG  11  -8.744  15.136   5.814
  106    HA   PRO  12           HA       PRO  12   0.550   8.506   5.415
  107   1HB   PRO  12          2HB       PRO  12   0.439   7.035   7.716
  108   2HB   PRO  12          1HB       PRO  12   1.042   8.704   7.663
  109   1HG   PRO  12          2HG       PRO  12  -1.601   7.675   8.549
  110   2HG   PRO  12          1HG       PRO  12  -0.623   8.997   9.198
  111   1HD   PRO  12          2HD       PRO  12  -2.806   9.360   7.588
  112   2HD   PRO  12          1HD       PRO  12  -1.466  10.520   7.724
  113    HA   PRO  13           HA       PRO  13  -1.893   5.013   3.955
  114   1HB   PRO  13          2HB       PRO  13  -0.081   4.071   2.140
  115   2HB   PRO  13          1HB       PRO  13  -1.127   5.470   1.827
  116   1HG   PRO  13          2HG       PRO  13   1.750   5.373   2.443
  117   2HG   PRO  13          1HG       PRO  13   0.825   6.578   1.540
  118   1HD   PRO  13          2HD       PRO  13   1.730   6.788   4.200
  119   2HD   PRO  13          1HD       PRO  13   0.597   7.877   3.376
  120    H    SER  14           H        SER  14  -1.606   2.622   3.995
  121    HA   SER  14           HA       SER  14   0.807   1.486   5.217
  122   1HB   SER  14          2HB       SER  14  -1.615   2.283   6.740
  123   2HB   SER  14          1HB       SER  14  -0.954   0.697   7.128
  124    HG   SER  14           HG       SER  14   0.194   2.045   8.379
  125    H    ALA  15           H        ALA  15   0.070   0.529   2.904
  126    HA   ALA  15           HA       ALA  15  -0.558  -1.405   1.767
  127   1HB   ALA  15          1HB       ALA  15  -0.129  -3.205   3.066
  128   2HB   ALA  15          2HB       ALA  15  -1.633  -2.961   3.953
  129   3HB   ALA  15          3HB       ALA  15  -0.156  -2.156   4.483
  130    H    PHE  16           H        PHE  16  -2.963  -1.564   4.419
  131    HA   PHE  16           HA       PHE  16  -5.226  -2.049   2.835
  132   1HB   PHE  16          2HB       PHE  16  -4.841  -2.004   5.383
  133   2HB   PHE  16          1HB       PHE  16  -5.214  -0.286   5.284
  134    HD1  PHE  16           1HD      PHE  16  -7.402   0.196   5.909
  135    HD2  PHE  16           2HD      PHE  16  -6.603  -3.397   3.693
  136    HE1  PHE  16           1HE      PHE  16  -9.826  -0.321   5.874
  137    HE2  PHE  16           2HE      PHE  16  -9.029  -3.914   3.659
  138    HZ   PHE  16           HZ       PHE  16 -10.640  -2.375   4.748
  139    H    PHE  17           H        PHE  17  -3.863   1.102   3.802
  140    HA   PHE  17           HA       PHE  17  -5.909   2.739   2.622
  141   1HB   PHE  17          2HB       PHE  17  -3.983   3.250   4.310
  142   2HB   PHE  17          1HB       PHE  17  -2.998   3.497   2.867
  143    HD1  PHE  17           1HD      PHE  17  -3.220   5.459   1.532
  144    HD2  PHE  17           2HD      PHE  17  -6.077   4.621   4.628
  145    HE1  PHE  17           1HE      PHE  17  -4.178   7.730   1.262
  146    HE2  PHE  17           2HE      PHE  17  -7.036   6.892   4.358
  147    HZ   PHE  17           HZ       PHE  17  -6.087   8.447   2.674
  148    H    LEU  18           H        LEU  18  -3.101   1.077   1.293
  149    HA   LEU  18           HA       LEU  18  -3.116   2.585  -1.225
  150   1HB   LEU  18          2HB       LEU  18  -1.740  -0.029  -0.526
  151   2HB   LEU  18          1HB       LEU  18  -1.271   1.115  -1.778
  152    HG   LEU  18           HG       LEU  18  -1.195   1.620   1.217
  153   1HD1  LEU  18          1HD1      LEU  18   0.641   0.230   0.689
  154   2HD1  LEU  18          2HD1      LEU  18   1.309   1.861   0.613
  155   3HD1  LEU  18          3HD1      LEU  18   0.893   1.009  -0.874
  156   1HD2  LEU  18          1HD2      LEU  18   0.205   3.654   0.196
  157   2HD2  LEU  18          2HD2      LEU  18  -1.545   3.761   0.385
  158   3HD2  LEU  18          3HD2      LEU  18  -0.850   3.376  -1.189
  159    H    PHE  19           H        PHE  19  -4.160  -0.615  -0.064
  160    HA   PHE  19           HA       PHE  19  -4.943  -1.674  -2.627
  161   1HB   PHE  19          2HB       PHE  19  -4.499  -2.907  -0.460
  162   2HB   PHE  19          1HB       PHE  19  -6.052  -2.308   0.125
  163    HD1  PHE  19           1HD      PHE  19  -4.369  -4.653  -2.118
  164    HD2  PHE  19           2HD      PHE  19  -8.166  -2.996  -0.981
  165    HE1  PHE  19           1HE      PHE  19  -5.530  -6.500  -3.299
  166    HE2  PHE  19           2HE      PHE  19  -9.326  -4.843  -2.162
  167    HZ   PHE  19           HZ       PHE  19  -8.009  -6.595  -3.321
  168    H    CYS  20           H        CYS  20  -6.856  -0.170   0.003
  169    HA   CYS  20           HA       CYS  20  -9.362  -0.204  -1.423
  170   1HB   CYS  20          2HB       CYS  20  -8.838   0.064   1.089
  171   2HB   CYS  20          1HB       CYS  20  -8.517   1.759   0.717
  172    HG   CYS  20           HG       CYS  20 -11.020   1.754   1.227
  173    H    SER  21           H        SER  21  -6.640   2.012  -1.349
  174    HA   SER  21           HA       SER  21  -8.099   4.155  -2.749
  175   1HB   SER  21          2HB       SER  21  -6.404   4.597  -1.018
  176   2HB   SER  21          1HB       SER  21  -5.186   3.778  -1.993
  177    HG   SER  21           HG       SER  21  -5.890   6.303  -2.094
  178    H    GLU  22           H        GLU  22  -6.895   1.256  -3.882
  179    HA   GLU  22           HA       GLU  22  -6.350   2.463  -6.556
  180   1HB   GLU  22          2HB       GLU  22  -4.633   0.640  -4.910
  181   2HB   GLU  22          1HB       GLU  22  -4.453   0.713  -6.659
  182   1HG   GLU  22          2HG       GLU  22  -4.358   3.145  -4.854
  183   2HG   GLU  22          1HG       GLU  22  -2.923   2.278  -5.407
  184    H    TYR  23           H        TYR  23  -8.206   0.231  -4.876
  185    HA   TYR  23           HA       TYR  23  -8.400  -1.558  -7.280
  186   1HB   TYR  23          2HB       TYR  23  -8.483  -2.049  -4.313
  187   2HB   TYR  23          1HB       TYR  23  -9.269  -3.177  -5.416
  188    HD1  TYR  23           1HD      TYR  23  -8.013  -4.759  -6.650
  189    HD2  TYR  23           2HD      TYR  23  -6.015  -1.500  -4.689
  190    HE1  TYR  23           1HE      TYR  23  -5.818  -5.792  -7.168
  191    HE2  TYR  23           2HE      TYR  23  -3.821  -2.534  -5.206
  192    HH   TYR  23           HH       TYR  23  -3.173  -4.484  -7.368
  193    H    ARG  24           H        ARG  24  -9.960   0.980  -6.381
  194    HA   ARG  24           HA       ARG  24 -12.650  -0.085  -5.894
  195   1HB   ARG  24          2HB       ARG  24 -11.563   2.706  -6.318
  196   2HB   ARG  24          1HB       ARG  24 -13.217   2.317  -5.839
  197   1HG   ARG  24          2HG       ARG  24 -12.323   1.121  -3.843
  198   2HG   ARG  24          1HG       ARG  24 -10.701   1.650  -4.292
  199   1HD   ARG  24          2HD       ARG  24 -11.327   3.348  -2.797
  200   2HD   ARG  24          1HD       ARG  24 -11.865   4.049  -4.337
  201    HE   ARG  24           HE       ARG  24 -14.122   2.959  -3.819
  202   1HH1  ARG  24          1HH1      ARG  24 -13.732   5.406  -2.164
  203   2HH1  ARG  24          2HH1      ARG  24 -14.069   4.833  -0.565
  204   1HH2  ARG  24          1HH2      ARG  24 -13.744   1.486  -1.412
  205   2HH2  ARG  24          2HH2      ARG  24 -14.076   2.614  -0.139
  206    HA   PRO  25           HA       PRO  25 -13.347   1.873 -10.247
  207   1HB   PRO  25          2HB       PRO  25 -11.180   2.054 -11.911
  208   2HB   PRO  25          1HB       PRO  25 -11.744   3.386 -10.881
  209   1HG   PRO  25          2HG       PRO  25  -9.501   1.482 -10.453
  210   2HG   PRO  25          1HG       PRO  25  -9.595   3.216 -10.104
  211   1HD   PRO  25          2HD       PRO  25  -9.842   1.311  -8.217
  212   2HD   PRO  25          1HD       PRO  25 -10.647   2.887  -8.087
  213    H    LYS  26           H        LYS  26 -11.253  -0.754  -9.459
  214    HA   LYS  26           HA       LYS  26 -11.561  -2.281 -11.927
  215   1HB   LYS  26          2HB       LYS  26  -9.766  -2.484 -10.110
  216   2HB   LYS  26          1HB       LYS  26 -11.007  -3.233  -9.100
  217   1HG   LYS  26          2HG       LYS  26 -10.526  -4.286 -11.873
  218   2HG   LYS  26          1HG       LYS  26  -9.434  -4.753 -10.567
  219   1HD   LYS  26          2HD       LYS  26 -11.595  -5.314  -9.246
  220   2HD   LYS  26          1HD       LYS  26 -12.393  -5.273 -10.819
  221   1HE   LYS  26          2HE       LYS  26 -11.776  -7.536 -10.654
  222   2HE   LYS  26          1HE       LYS  26 -10.392  -6.857 -11.533
  223   1HZ   LYS  26          1HZ       LYS  26  -9.275  -6.485  -9.423
  224   2HZ   LYS  26          2HZ       LYS  26  -9.654  -8.130  -9.607
  225   3HZ   LYS  26          3HZ       LYS  26 -10.588  -7.149  -8.581
  226    H    ILE  27           H        ILE  27 -12.941  -2.483  -8.645
  227    HA   ILE  27           HA       ILE  27 -14.861  -4.505  -8.974
  228    HB   ILE  27           HB       ILE  27 -15.149  -1.888  -7.449
  229   1HG1  ILE  27          2HG1      ILE  27 -13.030  -2.823  -6.780
  230   2HG1  ILE  27          1HG1      ILE  27 -14.183  -3.197  -5.515
  231   1HG2  ILE  27          1HG2      ILE  27 -16.389  -4.620  -7.104
  232   2HG2  ILE  27          2HG2      ILE  27 -17.210  -3.095  -7.434
  233   3HG2  ILE  27          3HG2      ILE  27 -16.448  -3.366  -5.866
  234   1HD1  ILE  27          1HD1      ILE  27 -13.100  -5.046  -7.637
  235   2HD1  ILE  27          2HD1      ILE  27 -14.528  -5.440  -6.678
  236   3HD1  ILE  27          3HD1      ILE  27 -12.969  -5.204  -5.886
  237    H    LYS  28           H        LYS  28 -14.971  -1.135  -9.965
  238    HA   LYS  28           HA       LYS  28 -17.813  -1.050 -10.499
  239   1HB   LYS  28          2HB       LYS  28 -15.873   0.750 -11.931
  240   2HB   LYS  28          1HB       LYS  28 -17.429   1.136 -11.211
  241   1HG   LYS  28          2HG       LYS  28 -14.774   0.783  -9.855
  242   2HG   LYS  28          1HG       LYS  28 -15.789   2.206  -9.862
  243   1HD   LYS  28          2HD       LYS  28 -16.353  -0.406  -8.417
  244   2HD   LYS  28          1HD       LYS  28 -15.918   1.134  -7.683
  245   1HE   LYS  28          2HE       LYS  28 -18.378   0.853  -9.437
  246   2HE   LYS  28          1HE       LYS  28 -18.427   0.574  -7.683
  247   1HZ   LYS  28          1HZ       LYS  28 -17.497   3.031  -9.073
  248   2HZ   LYS  28          2HZ       LYS  28 -17.312   2.752  -7.407
  249   3HZ   LYS  28          3HZ       LYS  28 -18.866   2.881  -8.083
  250    H    SER  29           H        SER  29 -14.978  -1.861 -12.445
  251    HA   SER  29           HA       SER  29 -16.189  -1.818 -15.033
  252   1HB   SER  29          2HB       SER  29 -13.746  -2.002 -14.434
  253   2HB   SER  29          1HB       SER  29 -14.037  -3.677 -13.973
  254    HG   SER  29           HG       SER  29 -14.309  -4.207 -16.027
  255    H    GLU  30           H        GLU  30 -16.386  -4.148 -12.413
  256    HA   GLU  30           HA       GLU  30 -17.935  -6.005 -14.190
  257   1HB   GLU  30          2HB       GLU  30 -15.892  -6.294 -12.079
  258   2HB   GLU  30          1HB       GLU  30 -17.247  -7.412 -11.929
  259   1HG   GLU  30          2HG       GLU  30 -15.785  -6.996 -14.542
  260   2HG   GLU  30          1HG       GLU  30 -15.284  -8.210 -13.366
  261    H    HIS  31           H        HIS  31 -17.997  -4.099 -11.246
  262    HA   HIS  31           HA       HIS  31 -20.762  -5.116 -10.673
  263   1HB   HIS  31          2HB       HIS  31 -18.795  -3.835  -8.745
  264   2HB   HIS  31          1HB       HIS  31 -20.293  -4.666  -8.339
  265    HD1  HIS  31           1HD      HIS  31 -16.724  -5.252  -9.174
  266    HD2  HIS  31           2HD      HIS  31 -20.155  -7.550  -8.620
  267    HE1  HIS  31           1HE      HIS  31 -15.949  -7.647  -8.964
  268    HA   PRO  32           HA       PRO  32 -21.252  -0.722 -11.818
  269   1HB   PRO  32          2HB       PRO  32 -23.803  -0.968 -12.773
  270   2HB   PRO  32          1HB       PRO  32 -22.365  -1.317 -13.744
  271   1HG   PRO  32          2HG       PRO  32 -24.244  -3.182 -12.421
  272   2HG   PRO  32          1HG       PRO  32 -23.347  -3.361 -13.936
  273   1HD   PRO  32          2HD       PRO  32 -22.656  -4.543 -11.541
  274   2HD   PRO  32          1HD       PRO  32 -21.549  -4.270 -12.902
  275    H    GLY  33           H        GLY  33 -23.347  -2.872  -9.990
  276   1HA   GLY  33          2HA       GLY  33 -24.817  -0.672  -8.725
  277   2HA   GLY  33          1HA       GLY  33 -24.991  -2.386  -8.362
  278    H    LEU  34           H        LEU  34 -21.827  -2.280  -8.173
  279    HA   LEU  34           HA       LEU  34 -21.638  -2.283  -5.329
  280   1HB   LEU  34          2HB       LEU  34 -19.971  -2.637  -7.659
  281   2HB   LEU  34          1HB       LEU  34 -19.105  -1.659  -6.484
  282    HG   LEU  34           HG       LEU  34 -18.703  -4.092  -6.167
  283   1HD1  LEU  34          1HD1      LEU  34 -19.619  -4.078  -3.690
  284   2HD1  LEU  34          2HD1      LEU  34 -20.029  -2.406  -4.076
  285   3HD1  LEU  34          3HD1      LEU  34 -18.355  -2.951  -4.181
  286   1HD2  LEU  34          1HD2      LEU  34 -21.345  -4.603  -4.972
  287   2HD2  LEU  34          2HD2      LEU  34 -20.380  -5.619  -6.042
  288   3HD2  LEU  34          3HD2      LEU  34 -21.405  -4.354  -6.717
  289    H    SER  35           H        SER  35 -22.773  -0.182  -4.848
  290    HA   SER  35           HA       SER  35 -21.596   2.373  -5.522
  291   1HB   SER  35          2HB       SER  35 -23.149   3.166  -3.746
  292   2HB   SER  35          1HB       SER  35 -23.943   2.037  -4.839
  293    HG   SER  35           HG       SER  35 -24.068   0.609  -3.277
  294    H    ILE  36           H        ILE  36 -20.842   3.859  -3.581
  295    HA   ILE  36           HA       ILE  36 -18.359   2.968  -2.566
  296    HB   ILE  36           HB       ILE  36 -20.311   5.053  -1.530
  297   1HG1  ILE  36          2HG1      ILE  36 -19.603   5.381  -3.875
  298   2HG1  ILE  36          1HG1      ILE  36 -18.908   6.619  -2.832
  299   1HG2  ILE  36          1HG2      ILE  36 -17.402   4.528  -0.876
  300   2HG2  ILE  36          2HG2      ILE  36 -18.757   4.678   0.242
  301   3HG2  ILE  36          3HG2      ILE  36 -18.159   6.100  -0.613
  302   1HD1  ILE  36          1HD1      ILE  36 -17.141   5.863  -4.274
  303   2HD1  ILE  36          2HD1      ILE  36 -17.522   4.172  -3.956
  304   3HD1  ILE  36          3HD1      ILE  36 -16.824   5.172  -2.683
  305    H    GLY  37           H        GLY  37 -21.600   2.597  -1.238
  306   1HA   GLY  37          2HA       GLY  37 -20.934   1.905   1.438
  307   2HA   GLY  37          1HA       GLY  37 -22.384   1.361   0.595
  308    H    ASP  38           H        ASP  38 -21.847  -0.398  -1.146
  309    HA   ASP  38           HA       ASP  38 -20.712  -2.677   0.227
  310   1HB   ASP  38          2HB       ASP  38 -21.948  -2.007  -2.397
  311   2HB   ASP  38          1HB       ASP  38 -20.966  -3.472  -2.345
  312    H    THR  39           H        THR  39 -19.449  -0.377  -2.129
  313    HA   THR  39           HA       THR  39 -17.152  -1.882  -2.995
  314    HB   THR  39           HB       THR  39 -17.684   1.099  -2.769
  315    HG1  THR  39           1HG      THR  39 -18.459   0.893  -4.789
  316   1HG2  THR  39          1HG2      THR  39 -15.520  -0.467  -4.183
  317   2HG2  THR  39          2HG2      THR  39 -15.326   0.868  -3.048
  318   3HG2  THR  39          3HG2      THR  39 -15.963   1.171  -4.664
  319    H    ALA  40           H        ALA  40 -17.777   0.130  -0.164
  320    HA   ALA  40           HA       ALA  40 -14.997   0.304   0.689
  321   1HB   ALA  40          1HB       ALA  40 -16.086   1.167   2.771
  322   2HB   ALA  40          2HB       ALA  40 -17.652   0.701   2.109
  323   3HB   ALA  40          3HB       ALA  40 -16.697   1.953   1.315
  324    H    LYS  41           H        LYS  41 -17.791  -1.707   1.635
  325    HA   LYS  41           HA       LYS  41 -16.142  -3.272   3.501
  326   1HB   LYS  41          2HB       LYS  41 -18.270  -4.351   4.029
  327   2HB   LYS  41          1HB       LYS  41 -18.479  -2.604   3.982
  328   1HG   LYS  41          2HG       LYS  41 -19.167  -2.998   1.492
  329   2HG   LYS  41          1HG       LYS  41 -19.389  -4.671   1.989
  330   1HD   LYS  41          2HD       LYS  41 -21.506  -3.468   2.207
  331   2HD   LYS  41          1HD       LYS  41 -20.906  -3.908   3.804
  332   1HE   LYS  41          2HE       LYS  41 -19.788  -1.350   3.181
  333   2HE   LYS  41          1HE       LYS  41 -21.523  -1.281   2.811
  334   1HZ   LYS  41          1HZ       LYS  41 -21.158  -0.841   5.152
  335   2HZ   LYS  41          2HZ       LYS  41 -20.312  -2.303   5.327
  336   3HZ   LYS  41          3HZ       LYS  41 -21.971  -2.318   4.964
  337    H    LYS  42           H        LYS  42 -16.874  -3.476   0.138
  338    HA   LYS  42           HA       LYS  42 -16.814  -6.394  -0.066
  339   1HB   LYS  42          2HB       LYS  42 -17.980  -4.963  -1.690
  340   2HB   LYS  42          1HB       LYS  42 -16.465  -4.154  -2.091
  341   1HG   LYS  42          2HG       LYS  42 -17.034  -5.862  -3.776
  342   2HG   LYS  42          1HG       LYS  42 -15.549  -6.292  -2.925
  343   1HD   LYS  42          2HD       LYS  42 -16.498  -8.111  -1.916
  344   2HD   LYS  42          1HD       LYS  42 -18.051  -7.305  -1.701
  345   1HE   LYS  42          2HE       LYS  42 -18.867  -8.076  -3.694
  346   2HE   LYS  42          1HE       LYS  42 -17.305  -7.888  -4.516
  347   1HZ   LYS  42          1HZ       LYS  42 -17.777 -10.224  -4.209
  348   2HZ   LYS  42          2HZ       LYS  42 -18.016  -9.996  -2.543
  349   3HZ   LYS  42          3HZ       LYS  42 -16.472  -9.782  -3.220
  350    H    LEU  43           H        LEU  43 -14.534  -3.860  -1.196
  351    HA   LEU  43           HA       LEU  43 -12.344  -5.436  -1.894
  352   1HB   LEU  43          2HB       LEU  43 -12.524  -2.734  -0.538
  353   2HB   LEU  43          1HB       LEU  43 -11.028  -3.367  -1.223
  354    HG   LEU  43           HG       LEU  43 -13.555  -3.238  -2.862
  355   1HD1  LEU  43          1HD1      LEU  43 -13.176  -0.964  -2.063
  356   2HD1  LEU  43          2HD1      LEU  43 -12.685  -1.069  -3.754
  357   3HD1  LEU  43          3HD1      LEU  43 -11.466  -1.072  -2.480
  358   1HD2  LEU  43          1HD2      LEU  43 -10.589  -3.257  -3.510
  359   2HD2  LEU  43          2HD2      LEU  43 -11.880  -3.151  -4.707
  360   3HD2  LEU  43          3HD2      LEU  43 -11.709  -4.604  -3.720
  361    H    GLY  44           H        GLY  44 -13.482  -4.711   1.352
  362   1HA   GLY  44          2HA       GLY  44 -11.059  -5.425   2.751
  363   2HA   GLY  44          1HA       GLY  44 -12.671  -5.352   3.465
  364    H    GLU  45           H        GLU  45 -13.924  -7.223   1.692
  365    HA   GLU  45           HA       GLU  45 -13.607  -9.684   2.998
  366   1HB   GLU  45          2HB       GLU  45 -15.194  -8.646   1.049
  367   2HB   GLU  45          1HB       GLU  45 -14.214  -9.759   0.094
  368   1HG   GLU  45          2HG       GLU  45 -14.833 -11.623   1.508
  369   2HG   GLU  45          1HG       GLU  45 -15.656 -10.548   2.639
  370    H    MET  46           H        MET  46 -11.812  -8.445   0.202
  371    HA   MET  46           HA       MET  46 -10.362 -10.962  -0.242
  372   1HB   MET  46          2HB       MET  46 -10.079  -8.127  -1.289
  373   2HB   MET  46          1HB       MET  46  -9.156  -9.501  -1.898
  374   1HG   MET  46          2HG       MET  46 -12.184  -9.401  -1.846
  375   2HG   MET  46          1HG       MET  46 -11.213  -8.976  -3.255
  376   1HE   MET  46          1HE       MET  46 -12.084 -10.864  -4.945
  377   2HE   MET  46          2HE       MET  46 -13.296 -10.814  -3.667
  378   3HE   MET  46          3HE       MET  46 -12.713 -12.368  -4.258
  379    H    TRP  47           H        TRP  47  -9.660  -7.742   1.101
  380    HA   TRP  47           HA       TRP  47  -6.917  -7.961   1.653
  381   1HB   TRP  47          2HB       TRP  47  -8.520  -6.011   1.978
  382   2HB   TRP  47          1HB       TRP  47  -8.995  -6.762   3.502
  383    HD1  TRP  47           HD       TRP  47  -7.730  -5.810   5.475
  384    HE1  TRP  47           1HE      TRP  47  -5.366  -4.863   5.883
  385    HE3  TRP  47           3HE      TRP  47  -5.765  -6.290   0.786
  386    HZ2  TRP  47           2HZ      TRP  47  -2.961  -4.375   4.414
  387    HZ3  TRP  47           3HZ      TRP  47  -3.439  -5.578   0.318
  388    HH2  TRP  47           HH       TRP  47  -2.035  -4.621   2.124
  389    H    SER  48           H        SER  48  -9.592  -8.874   3.887
  390    HA   SER  48           HA       SER  48  -7.860 -10.014   5.887
  391   1HB   SER  48          2HB       SER  48 -10.283  -9.184   6.040
  392   2HB   SER  48          1HB       SER  48 -10.748 -10.726   5.326
  393    HG   SER  48           HG       SER  48  -9.929 -11.777   7.077
  394    H    GLU  49           H        GLU  49  -9.453 -11.348   3.022
  395    HA   GLU  49           HA       GLU  49  -9.204 -14.128   3.568
  396   1HB   GLU  49          2HB       GLU  49  -9.366 -12.361   1.157
  397   2HB   GLU  49          1HB       GLU  49  -8.959 -14.058   0.910
  398   1HG   GLU  49          2HG       GLU  49 -11.324 -13.195   2.581
  399   2HG   GLU  49          1HG       GLU  49 -11.450 -13.483   0.845
  400    H    GLN  50           H        GLN  50  -6.860 -11.829   2.186
  401    HA   GLN  50           HA       GLN  50  -4.824 -13.830   1.624
  402   1HB   GLN  50          2HB       GLN  50  -4.805 -10.812   1.943
  403   2HB   GLN  50          1HB       GLN  50  -3.422 -11.744   1.366
  404   1HG   GLN  50          2HG       GLN  50  -6.160 -11.846   0.074
  405   2HG   GLN  50          1HG       GLN  50  -4.864 -10.780  -0.472
  406   1HE2  GLN  50          1HE2      GLN  50  -5.792 -14.206  -0.141
  407   2HE2  GLN  50          2HE2      GLN  50  -4.625 -14.798  -1.221
  408    H    SER  51           H        SER  51  -2.590 -13.571   2.755
  409    HA   SER  51           HA       SER  51  -2.606 -12.670   5.545
  410   1HB   SER  51          2HB       SER  51  -2.365 -14.949   6.470
  411   2HB   SER  51          1HB       SER  51  -3.897 -14.778   5.617
  412    HG   SER  51           HG       SER  51  -2.358 -16.670   5.187
  413    H    ALA  52           H        ALA  52  -0.597 -11.723   5.484
  414    HA   ALA  52           HA       ALA  52   1.730 -11.459   5.177
  415   1HB   ALA  52          1HB       ALA  52   2.971 -13.348   5.971
  416   2HB   ALA  52          2HB       ALA  52   1.724 -14.475   5.437
  417   3HB   ALA  52          3HB       ALA  52   1.418 -13.405   6.806
  418    H    LYS  53           H        LYS  53   0.143 -11.839   2.724
  419    HA   LYS  53           HA       LYS  53   2.304 -12.948   0.971
  420   1HB   LYS  53          2HB       LYS  53  -0.665 -13.503   1.027
  421   2HB   LYS  53          1HB       LYS  53   0.286 -13.774  -0.434
  422   1HG   LYS  53          2HG       LYS  53   1.747 -15.320   0.741
  423   2HG   LYS  53          1HG       LYS  53   0.946 -14.969   2.273
  424   1HD   LYS  53          2HD       LYS  53  -1.070 -16.023   1.585
  425   2HD   LYS  53          1HD       LYS  53  -0.570 -16.048  -0.106
  426   1HE   LYS  53          2HE       LYS  53   0.944 -17.817   0.233
  427   2HE   LYS  53          1HE       LYS  53   1.050 -17.512   1.980
  428   1HZ   LYS  53          1HZ       LYS  53  -0.400 -19.402   1.507
  429   2HZ   LYS  53          2HZ       LYS  53  -1.382 -18.419   0.529
  430   3HZ   LYS  53          3HZ       LYS  53  -1.275 -18.123   2.199
  431    H    ASP  54           H        ASP  54  -0.911 -11.541   0.329
  432    HA   ASP  54           HA       ASP  54   0.026  -9.851  -1.804
  433   1HB   ASP  54          2HB       ASP  54  -2.309 -10.783  -1.316
  434   2HB   ASP  54          1HB       ASP  54  -2.467  -9.488  -0.127
  435    H    LYS  55           H        LYS  55  -0.046  -9.423   1.662
  436    HA   LYS  55           HA       LYS  55   0.057  -6.491   1.578
  437   1HB   LYS  55          2HB       LYS  55   0.431  -8.606   3.718
  438   2HB   LYS  55          1HB       LYS  55   0.474  -6.874   4.051
  439   1HG   LYS  55          2HG       LYS  55  -1.782  -6.605   3.689
  440   2HG   LYS  55          1HG       LYS  55  -1.852  -7.904   2.496
  441   1HD   LYS  55          2HD       LYS  55  -1.754  -9.590   4.215
  442   2HD   LYS  55          1HD       LYS  55  -1.419  -8.381   5.456
  443   1HE   LYS  55          2HE       LYS  55  -3.635  -7.412   5.198
  444   2HE   LYS  55          1HE       LYS  55  -3.976  -8.471   3.814
  445   1HZ   LYS  55          1HZ       LYS  55  -3.631 -10.392   5.239
  446   2HZ   LYS  55          2HZ       LYS  55  -4.868  -9.409   5.865
  447   3HZ   LYS  55          3HZ       LYS  55  -3.321  -9.383   6.567
  448    H    GLN  56           H        GLN  56   2.355  -9.170   1.961
  449    HA   GLN  56           HA       GLN  56   4.673  -7.958   2.877
  450   1HB   GLN  56          2HB       GLN  56   3.902 -10.275   1.373
  451   2HB   GLN  56          1HB       GLN  56   5.360  -9.614   0.637
  452   1HG   GLN  56          2HG       GLN  56   6.005 -11.185   2.379
  453   2HG   GLN  56          1HG       GLN  56   6.417  -9.553   2.907
  454   1HE2  GLN  56          1HE2      GLN  56   5.231  -8.647   4.699
  455   2HE2  GLN  56          2HE2      GLN  56   4.141  -9.564   5.621
  456    HA   PRO  57           HA       PRO  57   5.839  -6.248  -1.399
  457   1HB   PRO  57          2HB       PRO  57   4.076  -6.398  -3.467
  458   2HB   PRO  57          1HB       PRO  57   5.224  -7.697  -3.088
  459   1HG   PRO  57          2HG       PRO  57   2.329  -7.511  -2.531
  460   2HG   PRO  57          1HG       PRO  57   3.311  -8.928  -2.919
  461   1HD   PRO  57          2HD       PRO  57   2.430  -8.228  -0.388
  462   2HD   PRO  57          1HD       PRO  57   3.783  -9.325  -0.735
  463    H    TYR  58           H        TYR  58   2.326  -5.968  -0.855
  464    HA   TYR  58           HA       TYR  58   2.235  -3.173  -1.711
  465   1HB   TYR  58          2HB       TYR  58   0.466  -5.336  -1.303
  466   2HB   TYR  58          1HB       TYR  58  -0.041  -4.097  -0.158
  467    HD1  TYR  58           1HD      TYR  58   0.168  -1.586  -1.272
  468    HD2  TYR  58           2HD      TYR  58  -0.594  -5.258  -3.368
  469    HE1  TYR  58           1HE      TYR  58  -0.884  -0.313  -3.122
  470    HE2  TYR  58           2HE      TYR  58  -1.646  -3.984  -5.217
  471    HH   TYR  58           HH       TYR  58  -1.296  -1.329  -6.048
  472    H    GLU  59           H        GLU  59   3.549  -4.426   1.066
  473    HA   GLU  59           HA       GLU  59   2.380  -2.367   2.877
  474   1HB   GLU  59          2HB       GLU  59   3.576  -3.634   4.620
  475   2HB   GLU  59          1HB       GLU  59   2.591  -4.712   3.638
  476   1HG   GLU  59          2HG       GLU  59   4.421  -5.929   3.150
  477   2HG   GLU  59          1HG       GLU  59   5.140  -4.521   2.370
  478    H    GLN  60           H        GLN  60   5.224  -2.997   0.966
  479    HA   GLN  60           HA       GLN  60   7.015  -1.231   2.446
  480   1HB   GLN  60          2HB       GLN  60   8.489  -1.672   0.518
  481   2HB   GLN  60          1HB       GLN  60   7.741  -3.169   1.069
  482   1HG   GLN  60          2HG       GLN  60   5.895  -2.330  -0.761
  483   2HG   GLN  60          1HG       GLN  60   7.377  -1.699  -1.477
  484   1HE2  GLN  60          1HE2      GLN  60   7.694  -3.239  -3.152
  485   2HE2  GLN  60          2HE2      GLN  60   7.907  -4.899  -2.868
  486    H    LYS  61           H        LYS  61   4.672  -0.883  -0.138
  487    HA   LYS  61           HA       LYS  61   5.558   1.574  -1.298
  488   1HB   LYS  61          2HB       LYS  61   3.861   0.082  -2.268
  489   2HB   LYS  61          1HB       LYS  61   2.790   0.383  -0.902
  490   1HG   LYS  61          2HG       LYS  61   2.431   2.642  -1.540
  491   2HG   LYS  61          1HG       LYS  61   3.801   2.629  -2.653
  492   1HD   LYS  61          2HD       LYS  61   2.530   0.790  -3.927
  493   2HD   LYS  61          1HD       LYS  61   1.126   1.260  -2.967
  494   1HE   LYS  61          2HE       LYS  61   1.000   3.387  -3.952
  495   2HE   LYS  61          1HE       LYS  61   2.706   3.365  -4.443
  496   1HZ   LYS  61          1HZ       LYS  61   2.205   1.529  -5.945
  497   2HZ   LYS  61          2HZ       LYS  61   1.276   2.897  -6.333
  498   3HZ   LYS  61          3HZ       LYS  61   0.568   1.592  -5.504
  499    H    ALA  62           H        ALA  62   3.449   0.916   1.505
  500    HA   ALA  62           HA       ALA  62   2.940   3.752   2.006
  501   1HB   ALA  62          1HB       ALA  62   2.342   1.106   3.289
  502   2HB   ALA  62          2HB       ALA  62   1.222   2.341   2.714
  503   3HB   ALA  62          3HB       ALA  62   2.104   2.582   4.222
  504    H    ALA  63           H        ALA  63   5.523   1.582   2.723
  505    HA   ALA  63           HA       ALA  63   6.372   2.885   5.209
  506   1HB   ALA  63          1HB       ALA  63   8.195   1.303   5.051
  507   2HB   ALA  63          2HB       ALA  63   7.889   1.045   3.333
  508   3HB   ALA  63          3HB       ALA  63   6.732   0.467   4.533
  509    H    LYS  64           H        LYS  64   6.393   3.927   2.017
  510    HA   LYS  64           HA       LYS  64   9.040   5.288   2.233
  511   1HB   LYS  64          2HB       LYS  64   7.105   4.574   0.024
  512   2HB   LYS  64          1HB       LYS  64   8.406   5.728  -0.239
  513   1HG   LYS  64          2HG       LYS  64   8.795   2.906   0.794
  514   2HG   LYS  64          1HG       LYS  64   9.032   3.392  -0.885
  515   1HD   LYS  64          2HD       LYS  64  10.670   5.152   0.021
  516   2HD   LYS  64          1HD       LYS  64  10.607   4.264   1.542
  517   1HE   LYS  64          2HE       LYS  64  12.440   3.257   0.454
  518   2HE   LYS  64          1HE       LYS  64  11.109   2.171   0.008
  519   1HZ   LYS  64          1HZ       LYS  64  12.046   4.506  -1.577
  520   2HZ   LYS  64          2HZ       LYS  64  10.754   3.482  -1.992
  521   3HZ   LYS  64          3HZ       LYS  64  12.341   2.879  -1.956
  522    H    LEU  65           H        LEU  65   5.575   5.780   2.004
  523    HA   LEU  65           HA       LEU  65   5.810   8.708   1.713
  524   1HB   LEU  65          2HB       LEU  65   3.653   6.620   1.781
  525   2HB   LEU  65          1HB       LEU  65   3.214   8.306   2.063
  526    HG   LEU  65           HG       LEU  65   4.631   8.777  -0.079
  527   1HD1  LEU  65          1HD1      LEU  65   5.631   6.603  -0.365
  528   2HD1  LEU  65          2HD1      LEU  65   4.472   6.820  -1.676
  529   3HD1  LEU  65          3HD1      LEU  65   4.058   5.810  -0.291
  530   1HD2  LEU  65          1HD2      LEU  65   2.650   8.532  -1.443
  531   2HD2  LEU  65          2HD2      LEU  65   2.124   8.957   0.185
  532   3HD2  LEU  65          3HD2      LEU  65   2.007   7.288  -0.372
  533    H    LYS  66           H        LYS  66   6.105   6.551   4.283
  534    HA   LYS  66           HA       LYS  66   4.651   8.124   6.299
  535   1HB   LYS  66          2HB       LYS  66   4.846   5.670   6.422
  536   2HB   LYS  66          1HB       LYS  66   6.603   5.796   6.433
  537   1HG   LYS  66          2HG       LYS  66   6.450   5.836   8.690
  538   2HG   LYS  66          1HG       LYS  66   5.835   7.479   8.511
  539   1HD   LYS  66          2HD       LYS  66   3.600   6.803   8.718
  540   2HD   LYS  66          1HD       LYS  66   3.961   5.138   8.261
  541   1HE   LYS  66          2HE       LYS  66   5.498   5.404  10.519
  542   2HE   LYS  66          1HE       LYS  66   4.096   6.416  10.920
  543   1HZ   LYS  66          1HZ       LYS  66   4.045   3.612   9.937
  544   2HZ   LYS  66          2HZ       LYS  66   2.665   4.587  10.109
  545   3HZ   LYS  66          3HZ       LYS  66   3.579   4.154  11.475
  546    H    GLU  67           H        GLU  67   7.964   7.622   5.145
  547    HA   GLU  67           HA       GLU  67   9.301   9.132   7.212
  548   1HB   GLU  67          2HB       GLU  67   9.884   8.186   4.416
  549   2HB   GLU  67          1HB       GLU  67  11.012   9.291   5.204
  550   1HG   GLU  67          2HG       GLU  67  10.038   6.812   6.614
  551   2HG   GLU  67          1HG       GLU  67  11.404   6.744   5.502
  552    H    LYS  68           H        LYS  68   8.594  10.034   3.810
  553    HA   LYS  68           HA       LYS  68   9.214  12.791   4.038
  554   1HB   LYS  68          2HB       LYS  68   7.300  11.236   2.276
  555   2HB   LYS  68          1HB       LYS  68   7.724  12.925   1.989
  556   1HG   LYS  68          2HG       LYS  68  10.123  12.280   1.882
  557   2HG   LYS  68          1HG       LYS  68   9.656  10.590   2.083
  558   1HD   LYS  68          2HD       LYS  68   8.480  10.569   0.000
  559   2HD   LYS  68          1HD       LYS  68   8.570  12.325  -0.144
  560   1HE   LYS  68          2HE       LYS  68  11.017  12.206  -0.395
  561   2HE   LYS  68          1HE       LYS  68  10.958  10.442  -0.204
  562   1HZ   LYS  68          1HZ       LYS  68   9.476  10.307  -2.099
  563   2HZ   LYS  68          2HZ       LYS  68  10.916  11.086  -2.550
  564   3HZ   LYS  68          3HZ       LYS  68   9.504  11.993  -2.283
  565    H    TYR  69           H        TYR  69   6.408  11.045   5.188
  566    HA   TYR  69           HA       TYR  69   4.624  13.362   5.280
  567   1HB   TYR  69          2HB       TYR  69   3.805  11.054   5.098
  568   2HB   TYR  69          1HB       TYR  69   4.594  10.630   6.617
  569    HD1  TYR  69           1HD      TYR  69   3.820  11.701   8.759
  570    HD2  TYR  69           2HD      TYR  69   1.679  12.150   5.062
  571    HE1  TYR  69           1HE      TYR  69   1.815  12.450  10.012
  572    HE2  TYR  69           2HE      TYR  69  -0.326  12.900   6.318
  573    HH   TYR  69           HH       TYR  69  -0.635  14.072   8.757
  574    H    GLU  70           H        GLU  70   6.116  11.383   7.875
  575    HA   GLU  70           HA       GLU  70   5.635  13.278   9.976
  576   1HB   GLU  70          2HB       GLU  70   7.596  11.001   9.594
  577   2HB   GLU  70          1HB       GLU  70   7.401  11.850  11.128
  578   1HG   GLU  70          2HG       GLU  70   5.142  10.491   9.631
  579   2HG   GLU  70          1HG       GLU  70   6.019   9.767  10.979
  580    H    LYS  71           H        LYS  71   7.961  13.380   7.421
  581    HA   LYS  71           HA       LYS  71   9.791  15.128   8.997
  582   1HB   LYS  71          2HB       LYS  71   9.958  13.747   6.302
  583   2HB   LYS  71          1HB       LYS  71  11.228  14.787   6.947
  584   1HG   LYS  71          2HG       LYS  71  10.161  12.478   8.563
  585   2HG   LYS  71          1HG       LYS  71  11.425  12.230   7.357
  586   1HD   LYS  71          2HD       LYS  71  12.760  14.039   8.479
  587   2HD   LYS  71          1HD       LYS  71  11.538  14.086   9.751
  588   1HE   LYS  71          2HE       LYS  71  12.766  11.439   9.025
  589   2HE   LYS  71          1HE       LYS  71  13.666  12.558  10.069
  590   1HZ   LYS  71          1HZ       LYS  71  11.673  12.781  11.450
  591   2HZ   LYS  71          2HZ       LYS  71  12.219  11.174  11.405
  592   3HZ   LYS  71          3HZ       LYS  71  10.868  11.640  10.487
  593    H    ASP  72           H        ASP  72   7.527  15.150   6.283
  594    HA   ASP  72           HA       ASP  72   8.227  17.976   5.647
  595   1HB   ASP  72          2HB       ASP  72   7.992  16.113   3.928
  596   2HB   ASP  72          1HB       ASP  72   6.265  16.117   4.285
  597    H    ILE  73           H        ILE  73   5.650  16.029   7.079
  598    HA   ILE  73           HA       ILE  73   3.515  17.921   6.878
  599    HB   ILE  73           HB       ILE  73   3.444  15.468   7.544
  600   1HG1  ILE  73          2HG1      ILE  73   1.694  15.975   9.433
  601   2HG1  ILE  73          1HG1      ILE  73   2.021  17.659   9.020
  602   1HG2  ILE  73          1HG2      ILE  73   4.039  16.474  10.331
  603   2HG2  ILE  73          2HG2      ILE  73   5.291  15.776   9.304
  604   3HG2  ILE  73          3HG2      ILE  73   3.900  14.804   9.782
  605   1HD1  ILE  73          1HD1      ILE  73   1.386  17.292   6.718
  606   2HD1  ILE  73          2HD1      ILE  73   0.102  16.638   7.735
  607   3HD1  ILE  73          3HD1      ILE  73   1.269  15.552   6.978
  608    H    ALA  74           H        ALA  74   6.297  17.752   9.001
  609    HA   ALA  74           HA       ALA  74   5.575  19.336  11.198
  610   1HB   ALA  74          1HB       ALA  74   7.732  18.232  10.932
  611   2HB   ALA  74          2HB       ALA  74   8.011  19.957  11.179
  612   3HB   ALA  74          3HB       ALA  74   8.131  19.267   9.561
  613    H    ALA  75           H        ALA  75   6.654  20.469   7.975
  614    HA   ALA  75           HA       ALA  75   6.507  23.293   8.575
  615   1HB   ALA  75          1HB       ALA  75   7.760  22.206   6.698
  616   2HB   ALA  75          2HB       ALA  75   6.700  23.501   6.141
  617   3HB   ALA  75          3HB       ALA  75   6.218  21.817   5.936
  618    H    TYR  76           H        TYR  76   4.084  20.913   8.057
  619    HA   TYR  76           HA       TYR  76   2.001  22.967   7.444
  620   1HB   TYR  76          2HB       TYR  76   2.439  20.884   5.970
  621   2HB   TYR  76          1HB       TYR  76   1.740  19.955   7.299
  622    HD1  TYR  76           1HD      TYR  76  -0.585  19.698   7.434
  623    HD2  TYR  76           2HD      TYR  76   1.048  22.936   5.131
  624    HE1  TYR  76           1HE      TYR  76  -2.862  20.289   6.649
  625    HE2  TYR  76           2HE      TYR  76  -1.229  23.526   4.346
  626    HH   TYR  76           HH       TYR  76  -3.781  21.554   4.462
  627    H    ARG  77           H        ARG  77   3.400  21.328   9.981
  628    HA   ARG  77           HA       ARG  77   0.979  21.624  11.695
  629   1HB   ARG  77          2HB       ARG  77   1.577  19.258  10.532
  630   2HB   ARG  77          1HB       ARG  77   2.561  19.120  11.987
  631   1HG   ARG  77          2HG       ARG  77   0.439  19.857  13.263
  632   2HG   ARG  77          1HG       ARG  77  -0.425  19.478  11.773
  633   1HD   ARG  77          2HD       ARG  77  -0.375  17.268  12.273
  634   2HD   ARG  77          1HD       ARG  77   1.393  17.311  12.404
  635    HE   ARG  77           HE       ARG  77   0.610  18.518  14.739
  636   1HH1  ARG  77          1HH1      ARG  77  -1.970  17.160  14.765
  637   2HH1  ARG  77          2HH1      ARG  77  -1.620  15.630  15.497
  638   1HH2  ARG  77          1HH2      ARG  77   1.802  15.872  14.990
  639   2HH2  ARG  77          2HH2      ARG  77   0.516  14.901  15.625
  640    H    ALA  78           H        ALA  78   2.537  23.458  12.383
  641    HA   ALA  78           HA       ALA  78   4.914  22.667  13.896
  642   1HB   ALA  78          1HB       ALA  78   3.415  25.291  13.683
  643   2HB   ALA  78          2HB       ALA  78   4.725  24.783  12.617
  644   3HB   ALA  78          3HB       ALA  78   5.047  25.094  14.323
  645    H    LYS  79           H        LYS  79   1.689  22.467  14.574
  646    HA   LYS  79           HA       LYS  79   1.764  23.323  17.385
  647   1HB   LYS  79          2HB       LYS  79  -0.593  22.541  17.322
  648   2HB   LYS  79          1HB       LYS  79  -0.233  23.620  15.977
  649   1HG   LYS  79          2HG       LYS  79   0.386  20.908  15.208
  650   2HG   LYS  79          1HG       LYS  79  -1.254  20.969  15.852
  651   1HD   LYS  79          2HD       LYS  79  -0.281  22.984  13.824
  652   2HD   LYS  79          1HD       LYS  79  -0.970  21.436  13.334
  653   1HE   LYS  79          2HE       LYS  79  -3.010  21.982  14.722
  654   2HE   LYS  79          1HE       LYS  79  -2.333  23.606  14.961
  655   1HZ   LYS  79          1HZ       LYS  79  -2.133  23.812  12.541
  656   2HZ   LYS  79          2HZ       LYS  79  -3.749  23.594  13.017
  657   3HZ   LYS  79          3HZ       LYS  79  -2.876  22.299  12.347
  Start of MODEL   25
    1   1H    MET   1          1HT       MET   1  -9.615  27.582  10.758
    2   2H    MET   1          2HT       MET   1 -11.242  27.425  10.294
    3   3H    MET   1          3HT       MET   1 -10.020  27.466   9.114
    4    HA   MET   1           HA       MET   1 -10.408  25.311  11.133
    5   1HB   MET   1          2HB       MET   1 -11.879  25.890   8.907
    6   2HB   MET   1          1HB       MET   1 -10.618  24.875   8.207
    7   1HG   MET   1          2HG       MET   1 -12.132  23.244   8.851
    8   2HG   MET   1          1HG       MET   1 -11.155  23.348  10.315
    9   1HE   MET   1          1HE       MET   1 -12.283  23.431  12.565
   10   2HE   MET   1          2HE       MET   1 -12.970  22.185  11.526
   11   3HE   MET   1          3HE       MET   1 -14.031  23.158  12.543
   12    H    LYS   2           H        LYS   2  -9.212  23.305   9.846
   13    HA   LYS   2           HA       LYS   2  -6.587  24.184   8.773
   14   1HB   LYS   2          2HB       LYS   2  -7.114  23.420  11.494
   15   2HB   LYS   2          1HB       LYS   2  -6.032  22.243  10.753
   16   1HG   LYS   2          2HG       LYS   2  -5.370  25.027  10.064
   17   2HG   LYS   2          1HG       LYS   2  -5.263  24.683  11.777
   18   1HD   LYS   2          2HD       LYS   2  -3.175  23.929  11.237
   19   2HD   LYS   2          1HD       LYS   2  -4.051  22.470  10.771
   20   1HE   LYS   2          2HE       LYS   2  -4.319  23.996   8.509
   21   2HE   LYS   2          1HE       LYS   2  -2.704  24.466   9.079
   22   1HZ   LYS   2          1HZ       LYS   2  -3.673  21.670   8.807
   23   2HZ   LYS   2          2HZ       LYS   2  -2.124  22.147   9.314
   24   3HZ   LYS   2          3HZ       LYS   2  -2.627  22.443   7.720
   25    H    LYS   3           H        LYS   3  -5.478  22.454   7.666
   26    HA   LYS   3           HA       LYS   3  -6.477  19.742   7.622
   27   1HB   LYS   3          2HB       LYS   3  -8.060  21.476   6.286
   28   2HB   LYS   3          1HB       LYS   3  -6.905  21.098   5.008
   29   1HG   LYS   3          2HG       LYS   3  -7.338  18.607   5.836
   30   2HG   LYS   3          1HG       LYS   3  -8.862  19.305   6.385
   31   1HD   LYS   3          2HD       LYS   3  -9.568  19.808   4.234
   32   2HD   LYS   3          1HD       LYS   3  -7.923  19.925   3.610
   33   1HE   LYS   3          2HE       LYS   3  -7.782  17.370   4.116
   34   2HE   LYS   3          1HE       LYS   3  -9.555  17.446   4.149
   35   1HZ   LYS   3          1HZ       LYS   3  -9.496  18.578   2.001
   36   2HZ   LYS   3          2HZ       LYS   3  -8.779  17.042   1.901
   37   3HZ   LYS   3          3HZ       LYS   3  -7.807  18.434   1.957
   38    H    LYS   4           H        LYS   4  -5.278  18.432   5.979
   39    HA   LYS   4           HA       LYS   4  -2.501  19.026   5.881
   40   1HB   LYS   4          2HB       LYS   4  -4.387  17.111   4.555
   41   2HB   LYS   4          1HB       LYS   4  -2.727  17.198   3.966
   42   1HG   LYS   4          2HG       LYS   4  -1.837  16.371   5.926
   43   2HG   LYS   4          1HG       LYS   4  -3.135  17.034   6.919
   44   1HD   LYS   4          2HD       LYS   4  -4.658  15.321   5.710
   45   2HD   LYS   4          1HD       LYS   4  -3.153  14.534   5.234
   46   1HE   LYS   4          2HE       LYS   4  -3.594  13.441   7.256
   47   2HE   LYS   4          1HE       LYS   4  -2.601  14.795   7.833
   48   1HZ   LYS   4          1HZ       LYS   4  -4.702  14.630   9.059
   49   2HZ   LYS   4          2HZ       LYS   4  -5.566  14.820   7.608
   50   3HZ   LYS   4          3HZ       LYS   4  -4.596  16.086   8.194
   51    H    ASP   5           H        ASP   5  -5.117  19.874   3.687
   52    HA   ASP   5           HA       ASP   5  -5.164  21.218   1.761
   53   1HB   ASP   5          2HB       ASP   5  -2.866  22.112   3.402
   54   2HB   ASP   5          1HB       ASP   5  -2.780  22.582   1.706
   55    HA   PRO   6           HA       PRO   6  -3.030  19.003  -1.367
   56   1HB   PRO   6          2HB       PRO   6  -2.798  20.830  -3.387
   57   2HB   PRO   6          1HB       PRO   6  -4.338  20.071  -2.938
   58   1HG   PRO   6          2HG       PRO   6  -3.297  22.775  -2.271
   59   2HG   PRO   6          1HG       PRO   6  -4.945  22.265  -2.670
   60   1HD   PRO   6          2HD       PRO   6  -4.079  22.759  -0.125
   61   2HD   PRO   6          1HD       PRO   6  -5.412  21.652  -0.521
   62    H    ASN   7           H        ASN   7  -1.590  21.962  -0.183
   63    HA   ASN   7           HA       ASN   7   0.929  21.689  -1.629
   64   1HB   ASN   7          2HB       ASN   7  -0.189  23.789  -0.684
   65   2HB   ASN   7          1HB       ASN   7   0.353  23.243   0.904
   66   1HD2  ASN   7          1HD2      ASN   7   2.602  23.447   1.415
   67   2HD2  ASN   7          2HD2      ASN   7   3.721  24.179   0.370
   68    H    ALA   8           H        ALA   8  -0.323  20.605   1.506
   69    HA   ALA   8           HA       ALA   8   2.370  19.669   2.344
   70   1HB   ALA   8          1HB       ALA   8   1.473  19.806   4.447
   71   2HB   ALA   8          2HB       ALA   8  -0.053  19.079   3.945
   72   3HB   ALA   8          3HB       ALA   8   0.247  20.792   3.651
   73    HA   PRO   9           HA       PRO   9   1.554  15.450   1.372
   74   1HB   PRO   9          2HB       PRO   9   2.170  14.027   3.625
   75   2HB   PRO   9          1HB       PRO   9   3.399  14.793   2.600
   76   1HG   PRO   9          2HG       PRO   9   2.280  15.687   5.198
   77   2HG   PRO   9          1HG       PRO   9   3.925  15.835   4.564
   78   1HD   PRO   9          2HD       PRO   9   2.095  17.885   4.608
   79   2HD   PRO   9          1HD       PRO   9   3.469  17.791   3.487
   80    H    LYS  10           H        LYS  10  -0.309  14.223   1.225
   81    HA   LYS  10           HA       LYS  10  -2.627  14.876   2.796
   82   1HB   LYS  10          2HB       LYS  10  -3.629  13.023   1.467
   83   2HB   LYS  10          1HB       LYS  10  -2.712  14.141   0.459
   84   1HG   LYS  10          2HG       LYS  10  -0.956  12.066   1.457
   85   2HG   LYS  10          1HG       LYS  10  -2.359  11.335   0.678
   86   1HD   LYS  10          2HD       LYS  10  -1.938  12.466  -1.375
   87   2HD   LYS  10          1HD       LYS  10  -0.788  13.568  -0.619
   88   1HE   LYS  10          2HE       LYS  10   0.496  11.899  -1.826
   89   2HE   LYS  10          1HE       LYS  10   0.650  11.522  -0.098
   90   1HZ   LYS  10          1HZ       LYS  10  -1.218  10.000  -0.298
   91   2HZ   LYS  10          2HZ       LYS  10   0.025   9.551  -1.365
   92   3HZ   LYS  10          3HZ       LYS  10  -1.355  10.347  -1.953
   93    H    ARG  11           H        ARG  11  -3.846  12.476   3.390
   94    HA   ARG  11           HA       ARG  11  -2.849  11.780   5.957
   95   1HB   ARG  11          2HB       ARG  11  -4.789  10.677   3.965
   96   2HB   ARG  11          1HB       ARG  11  -4.348   9.650   5.328
   97   1HG   ARG  11          2HG       ARG  11  -6.150  10.818   6.225
   98   2HG   ARG  11          1HG       ARG  11  -4.803  11.839   6.732
   99   1HD   ARG  11          2HD       ARG  11  -5.299  13.501   5.175
  100   2HD   ARG  11          1HD       ARG  11  -6.089  12.363   4.065
  101    HE   ARG  11           HE       ARG  11  -7.373  12.751   6.706
  102   1HH1  ARG  11          1HH1      ARG  11  -8.297  11.755   3.820
  103   2HH1  ARG  11          2HH1      ARG  11  -9.479  12.977   3.490
  104   1HH2  ARG  11          1HH2      ARG  11  -8.449  15.046   6.075
  105   2HH2  ARG  11          2HH2      ARG  11  -9.565  14.840   4.766
  106    HA   PRO  12           HA       PRO  12   0.423   8.992   4.892
  107   1HB   PRO  12          2HB       PRO  12   0.633   7.592   7.231
  108   2HB   PRO  12          1HB       PRO  12   1.223   9.254   7.044
  109   1HG   PRO  12          2HG       PRO  12  -1.265   8.263   8.327
  110   2HG   PRO  12          1HG       PRO  12  -0.212   9.608   8.784
  111   1HD   PRO  12          2HD       PRO  12  -2.606   9.902   7.480
  112   2HD   PRO  12          1HD       PRO  12  -1.275  11.077   7.407
  113    HA   PRO  13           HA       PRO  13  -2.159   5.451   3.878
  114   1HB   PRO  13          2HB       PRO  13  -0.533   4.373   1.967
  115   2HB   PRO  13          1HB       PRO  13  -1.574   5.777   1.666
  116   1HG   PRO  13          2HG       PRO  13   1.343   5.644   2.040
  117   2HG   PRO  13          1HG       PRO  13   0.366   6.821   1.153
  118   1HD   PRO  13          2HD       PRO  13   1.503   7.154   3.708
  119   2HD   PRO  13          1HD       PRO  13   0.323   8.223   2.924
  120    H    SER  14           H        SER  14  -1.657   2.970   3.694
  121    HA   SER  14           HA       SER  14   0.762   1.960   4.958
  122   1HB   SER  14          2HB       SER  14  -1.638   2.702   6.534
  123   2HB   SER  14          1HB       SER  14  -0.940   1.131   6.917
  124    HG   SER  14           HG       SER  14   0.185   3.703   7.092
  125    H    ALA  15           H        ALA  15   0.104   0.874   2.719
  126    HA   ALA  15           HA       ALA  15  -0.451  -1.118   1.655
  127   1HB   ALA  15          1HB       ALA  15  -0.006  -2.848   3.037
  128   2HB   ALA  15          2HB       ALA  15  -1.542  -2.616   3.871
  129   3HB   ALA  15          3HB       ALA  15  -0.106  -1.745   4.408
  130    H    PHE  16           H        PHE  16  -2.957  -1.277   4.231
  131    HA   PHE  16           HA       PHE  16  -5.133  -1.943   2.645
  132   1HB   PHE  16          2HB       PHE  16  -4.803  -1.581   5.204
  133   2HB   PHE  16          1HB       PHE  16  -5.345   0.065   4.881
  134    HD1  PHE  16           1HD      PHE  16  -6.429  -3.157   5.746
  135    HD2  PHE  16           2HD      PHE  16  -7.507   0.195   3.288
  136    HE1  PHE  16           1HE      PHE  16  -8.782  -3.936   5.718
  137    HE2  PHE  16           2HE      PHE  16  -9.860  -0.583   3.259
  138    HZ   PHE  16           HZ       PHE  16 -10.499  -2.649   4.475
  139    H    PHE  17           H        PHE  17  -4.103   1.394   3.438
  140    HA   PHE  17           HA       PHE  17  -6.142   2.746   1.956
  141   1HB   PHE  17          2HB       PHE  17  -3.575   3.312   3.271
  142   2HB   PHE  17          1HB       PHE  17  -3.886   4.373   1.898
  143    HD1  PHE  17           1HD      PHE  17  -6.327   5.368   1.766
  144    HD2  PHE  17           2HD      PHE  17  -4.515   3.832   5.345
  145    HE1  PHE  17           1HE      PHE  17  -7.932   6.669   3.138
  146    HE2  PHE  17           2HE      PHE  17  -6.121   5.133   6.716
  147    HZ   PHE  17           HZ       PHE  17  -7.830   6.552   5.613
  148    H    LEU  18           H        LEU  18  -3.069   1.296   0.969
  149    HA   LEU  18           HA       LEU  18  -3.112   2.515  -1.701
  150   1HB   LEU  18          2HB       LEU  18  -1.479   0.154  -0.720
  151   2HB   LEU  18          1HB       LEU  18  -1.066   1.282  -2.002
  152    HG   LEU  18           HG       LEU  18  -1.184   1.879   0.972
  153   1HD1  LEU  18          1HD1      LEU  18   0.862   0.815   0.520
  154   2HD1  LEU  18          2HD1      LEU  18   1.260   2.528   0.391
  155   3HD1  LEU  18          3HD1      LEU  18   1.009   1.569  -1.068
  156   1HD2  LEU  18          1HD2      LEU  18  -1.889   3.917   0.060
  157   2HD2  LEU  18          2HD2      LEU  18  -1.008   3.661  -1.447
  158   3HD2  LEU  18          3HD2      LEU  18  -0.137   4.114   0.019
  159    H    PHE  19           H        PHE  19  -4.116  -0.502  -0.186
  160    HA   PHE  19           HA       PHE  19  -4.512  -1.969  -2.678
  161   1HB   PHE  19          2HB       PHE  19  -4.005  -2.974  -0.457
  162   2HB   PHE  19          1HB       PHE  19  -5.564  -2.405   0.137
  163    HD1  PHE  19           1HD      PHE  19  -7.671  -3.360  -0.722
  164    HD2  PHE  19           2HD      PHE  19  -3.845  -4.851  -1.984
  165    HE1  PHE  19           1HE      PHE  19  -8.763  -5.392  -1.634
  166    HE2  PHE  19           2HE      PHE  19  -4.938  -6.883  -2.895
  167    HZ   PHE  19           HZ       PHE  19  -7.397  -7.153  -2.720
  168    H    CYS  20           H        CYS  20  -6.786  -0.625  -0.248
  169    HA   CYS  20           HA       CYS  20  -9.190  -1.112  -1.681
  170   1HB   CYS  20          2HB       CYS  20  -8.728  -0.338   0.746
  171   2HB   CYS  20          1HB       CYS  20  -8.679   1.293   0.076
  172    HG   CYS  20           HG       CYS  20 -11.185   0.011   0.791
  173    H    SER  21           H        SER  21  -7.238   1.894  -1.562
  174    HA   SER  21           HA       SER  21  -8.784   3.438  -3.375
  175   1HB   SER  21          2HB       SER  21  -6.884   4.140  -1.852
  176   2HB   SER  21          1HB       SER  21  -5.772   3.460  -3.037
  177    HG   SER  21           HG       SER  21  -5.956   5.340  -3.958
  178    H    GLU  22           H        GLU  22  -6.607   0.773  -4.003
  179    HA   GLU  22           HA       GLU  22  -6.482   1.439  -6.904
  180   1HB   GLU  22          2HB       GLU  22  -4.965  -0.221  -4.954
  181   2HB   GLU  22          1HB       GLU  22  -4.932  -0.716  -6.644
  182   1HG   GLU  22          2HG       GLU  22  -4.273   2.079  -5.669
  183   2HG   GLU  22          1HG       GLU  22  -3.067   0.846  -6.038
  184    H    TYR  23           H        TYR  23  -7.963  -0.804  -4.653
  185    HA   TYR  23           HA       TYR  23  -8.696  -2.737  -6.756
  186   1HB   TYR  23          2HB       TYR  23  -8.740  -2.489  -3.813
  187   2HB   TYR  23          1HB       TYR  23 -10.097  -3.394  -4.482
  188    HD1  TYR  23           1HD      TYR  23  -6.387  -3.075  -4.990
  189    HD2  TYR  23           2HD      TYR  23  -9.798  -5.681  -4.810
  190    HE1  TYR  23           1HE      TYR  23  -4.910  -5.034  -5.354
  191    HE2  TYR  23           2HE      TYR  23  -8.320  -7.640  -5.174
  192    HH   TYR  23           HH       TYR  23  -5.515  -7.612  -6.434
  193    H    ARG  24           H        ARG  24 -10.251  -0.138  -4.902
  194    HA   ARG  24           HA       ARG  24 -12.955  -0.565  -5.372
  195   1HB   ARG  24          2HB       ARG  24 -11.285   1.954  -5.392
  196   2HB   ARG  24          1HB       ARG  24 -13.049   1.970  -5.418
  197   1HG   ARG  24          2HG       ARG  24 -13.224   1.021  -3.284
  198   2HG   ARG  24          1HG       ARG  24 -11.588   0.366  -3.337
  199   1HD   ARG  24          2HD       ARG  24 -10.689   2.287  -2.506
  200   2HD   ARG  24          1HD       ARG  24 -11.666   3.303  -3.583
  201    HE   ARG  24           HE       ARG  24 -12.562   2.238  -0.949
  202   1HH1  ARG  24          1HH1      ARG  24 -14.315   2.762  -3.613
  203   2HH1  ARG  24          2HH1      ARG  24 -15.141   4.187  -3.078
  204   1HH2  ARG  24          1HH2      ARG  24 -13.091   4.664  -0.323
  205   2HH2  ARG  24          2HH2      ARG  24 -14.448   5.263  -1.216
  206    HA   PRO  25           HA       PRO  25 -12.661   1.661  -9.692
  207   1HB   PRO  25          2HB       PRO  25 -10.205   1.517 -10.924
  208   2HB   PRO  25          1HB       PRO  25 -10.750   2.914  -9.973
  209   1HG   PRO  25          2HG       PRO  25  -9.022   0.622  -9.135
  210   2HG   PRO  25          1HG       PRO  25  -8.797   2.359  -8.851
  211   1HD   PRO  25          2HD       PRO  25  -9.755   0.806  -6.934
  212   2HD   PRO  25          1HD       PRO  25 -10.430   2.430  -7.182
  213    H    LYS  26           H        LYS  26 -10.758  -1.160  -8.832
  214    HA   LYS  26           HA       LYS  26 -11.117  -2.639 -11.305
  215   1HB   LYS  26          2HB       LYS  26  -9.485  -2.966  -9.297
  216   2HB   LYS  26          1HB       LYS  26 -10.849  -3.780  -8.522
  217   1HG   LYS  26          2HG       LYS  26  -9.969  -4.550 -11.301
  218   2HG   LYS  26          1HG       LYS  26  -9.180  -5.236  -9.881
  219   1HD   LYS  26          2HD       LYS  26 -11.580  -5.779  -9.064
  220   2HD   LYS  26          1HD       LYS  26 -12.058  -5.502 -10.740
  221   1HE   LYS  26          2HE       LYS  26  -9.743  -7.336 -10.141
  222   2HE   LYS  26          1HE       LYS  26 -11.409  -7.936 -10.024
  223   1HZ   LYS  26          1HZ       LYS  26 -10.554  -8.184 -12.280
  224   2HZ   LYS  26          2HZ       LYS  26 -10.242  -6.516 -12.362
  225   3HZ   LYS  26          3HZ       LYS  26 -11.841  -7.080 -12.242
  226    H    ILE  27           H        ILE  27 -12.741  -2.594  -8.147
  227    HA   ILE  27           HA       ILE  27 -14.759  -4.532  -8.566
  228    HB   ILE  27           HB       ILE  27 -14.788  -1.901  -7.036
  229   1HG1  ILE  27          2HG1      ILE  27 -12.928  -3.429  -6.409
  230   2HG1  ILE  27          1HG1      ILE  27 -14.093  -3.241  -5.107
  231   1HG2  ILE  27          1HG2      ILE  27 -16.581  -4.334  -6.855
  232   2HG2  ILE  27          2HG2      ILE  27 -17.055  -2.666  -7.183
  233   3HG2  ILE  27          3HG2      ILE  27 -16.473  -3.119  -5.581
  234   1HD1  ILE  27          1HD1      ILE  27 -15.177  -5.364  -5.794
  235   2HD1  ILE  27          2HD1      ILE  27 -13.486  -5.597  -5.346
  236   3HD1  ILE  27          3HD1      ILE  27 -13.952  -5.564  -7.047
  237    H    LYS  28           H        LYS  28 -14.552  -1.163  -9.609
  238    HA   LYS  28           HA       LYS  28 -17.337  -0.891 -10.343
  239   1HB   LYS  28          2HB       LYS  28 -15.093   0.707 -11.575
  240   2HB   LYS  28          1HB       LYS  28 -16.707   1.244 -11.131
  241   1HG   LYS  28          2HG       LYS  28 -14.290   0.850  -9.413
  242   2HG   LYS  28          1HG       LYS  28 -15.342   2.240  -9.508
  243   1HD   LYS  28          2HD       LYS  28 -15.936  -0.408  -8.139
  244   2HD   LYS  28          1HD       LYS  28 -15.687   1.154  -7.374
  245   1HE   LYS  28          2HE       LYS  28 -17.902   0.773  -9.403
  246   2HE   LYS  28          1HE       LYS  28 -18.141   0.398  -7.686
  247   1HZ   LYS  28          1HZ       LYS  28 -18.679   2.717  -8.152
  248   2HZ   LYS  28          2HZ       LYS  28 -17.115   2.971  -8.766
  249   3HZ   LYS  28          3HZ       LYS  28 -17.337   2.604  -7.122
  250    H    SER  29           H        SER  29 -14.406  -1.799 -12.134
  251    HA   SER  29           HA       SER  29 -15.479  -1.757 -14.773
  252   1HB   SER  29          2HB       SER  29 -13.079  -2.008 -14.029
  253   2HB   SER  29          1HB       SER  29 -13.445  -3.680 -13.606
  254    HG   SER  29           HG       SER  29 -13.160  -2.466 -16.083
  255    H    GLU  30           H        GLU  30 -15.933  -4.047 -12.158
  256    HA   GLU  30           HA       GLU  30 -17.416  -5.867 -14.029
  257   1HB   GLU  30          2HB       GLU  30 -15.468  -6.227 -11.850
  258   2HB   GLU  30          1HB       GLU  30 -16.870  -7.286 -11.718
  259   1HG   GLU  30          2HG       GLU  30 -15.370  -6.971 -14.320
  260   2HG   GLU  30          1HG       GLU  30 -14.876  -8.151 -13.105
  261    H    HIS  31           H        HIS  31 -17.691  -3.812 -11.247
  262    HA   HIS  31           HA       HIS  31 -20.483  -4.828 -10.815
  263   1HB   HIS  31          2HB       HIS  31 -18.632  -3.682  -8.696
  264   2HB   HIS  31          1HB       HIS  31 -20.189  -4.456  -8.439
  265    HD1  HIS  31           1HD      HIS  31 -16.591  -5.186  -8.986
  266    HD2  HIS  31           2HD      HIS  31 -20.159  -7.333  -8.815
  267    HE1  HIS  31           1HE      HIS  31 -15.946  -7.623  -8.780
  268    HA   PRO  32           HA       PRO  32 -20.726  -0.398 -11.886
  269   1HB   PRO  32          2HB       PRO  32 -23.180  -0.541 -13.089
  270   2HB   PRO  32          1HB       PRO  32 -21.666  -0.911 -13.929
  271   1HG   PRO  32          2HG       PRO  32 -23.714  -2.749 -12.836
  272   2HG   PRO  32          1HG       PRO  32 -22.689  -2.919 -14.268
  273   1HD   PRO  32          2HD       PRO  32 -22.251  -4.184 -11.857
  274   2HD   PRO  32          1HD       PRO  32 -21.013  -3.902 -13.099
  275    H    GLY  33           H        GLY  33 -23.228  -2.490 -10.500
  276   1HA   GLY  33          2HA       GLY  33 -24.690  -0.311  -9.251
  277   2HA   GLY  33          1HA       GLY  33 -24.925  -2.029  -8.941
  278    H    LEU  34           H        LEU  34 -21.853  -2.119  -8.433
  279    HA   LEU  34           HA       LEU  34 -21.844  -2.188  -5.622
  280   1HB   LEU  34          2HB       LEU  34 -20.020  -2.423  -7.818
  281   2HB   LEU  34          1HB       LEU  34 -19.260  -1.401  -6.606
  282    HG   LEU  34           HG       LEU  34 -18.774  -3.837  -6.298
  283   1HD1  LEU  34          1HD1      LEU  34 -18.427  -2.949  -4.249
  284   2HD1  LEU  34          2HD1      LEU  34 -19.958  -3.707  -3.817
  285   3HD1  LEU  34          3HD1      LEU  34 -19.919  -2.011  -4.298
  286   1HD2  LEU  34          1HD2      LEU  34 -21.440  -4.373  -5.140
  287   2HD2  LEU  34          2HD2      LEU  34 -20.403  -5.418  -6.111
  288   3HD2  LEU  34          3HD2      LEU  34 -21.427  -4.218  -6.896
  289    H    SER  35           H        SER  35 -22.939  -0.244  -4.855
  290    HA   SER  35           HA       SER  35 -21.960   2.431  -5.395
  291   1HB   SER  35          2HB       SER  35 -24.253   1.877  -4.645
  292   2HB   SER  35          1HB       SER  35 -23.612   1.279  -3.118
  293    HG   SER  35           HG       SER  35 -23.489   3.262  -2.447
  294    H    ILE  36           H        ILE  36 -21.246   3.803  -3.348
  295    HA   ILE  36           HA       ILE  36 -18.677   2.907  -2.491
  296    HB   ILE  36           HB       ILE  36 -20.611   5.063  -1.618
  297   1HG1  ILE  36          2HG1      ILE  36 -18.517   6.403  -2.442
  298   2HG1  ILE  36          1HG1      ILE  36 -18.045   4.875  -3.183
  299   1HG2  ILE  36          1HG2      ILE  36 -17.950   4.331  -0.374
  300   2HG2  ILE  36          2HG2      ILE  36 -19.479   4.665   0.440
  301   3HG2  ILE  36          3HG2      ILE  36 -18.575   5.979  -0.315
  302   1HD1  ILE  36          1HD1      ILE  36 -19.437   6.498  -4.622
  303   2HD1  ILE  36          2HD1      ILE  36 -20.797   6.041  -3.595
  304   3HD1  ILE  36          3HD1      ILE  36 -19.969   4.817  -4.559
  305    H    GLY  37           H        GLY  37 -21.880   2.608  -0.997
  306   1HA   GLY  37          2HA       GLY  37 -21.091   1.757   1.597
  307   2HA   GLY  37          1HA       GLY  37 -22.603   1.293   0.813
  308    H    ASP  38           H        ASP  38 -22.042  -0.297  -1.176
  309    HA   ASP  38           HA       ASP  38 -21.040  -2.745   0.011
  310   1HB   ASP  38          2HB       ASP  38 -22.775  -2.182  -1.921
  311   2HB   ASP  38          1HB       ASP  38 -21.346  -2.334  -2.942
  312    H    THR  39           H        THR  39 -19.691  -0.368  -2.275
  313    HA   THR  39           HA       THR  39 -17.338  -1.839  -3.007
  314    HB   THR  39           HB       THR  39 -17.844   1.142  -2.774
  315    HG1  THR  39           1HG      THR  39 -18.637   0.975  -4.765
  316   1HG2  THR  39          1HG2      THR  39 -15.475   0.803  -2.951
  317   2HG2  THR  39          2HG2      THR  39 -16.043   1.225  -4.566
  318   3HG2  THR  39          3HG2      THR  39 -15.686  -0.456  -4.168
  319    H    ALA  40           H        ALA  40 -18.124   0.139  -0.203
  320    HA   ALA  40           HA       ALA  40 -15.396   0.309   0.805
  321   1HB   ALA  40          1HB       ALA  40 -18.077   0.640   2.192
  322   2HB   ALA  40          2HB       ALA  40 -17.253   1.910   1.286
  323   3HB   ALA  40          3HB       ALA  40 -16.528   1.265   2.759
  324    H    LYS  41           H        LYS  41 -18.237  -1.717   1.573
  325    HA   LYS  41           HA       LYS  41 -16.685  -3.276   3.528
  326   1HB   LYS  41          2HB       LYS  41 -18.841  -4.301   4.003
  327   2HB   LYS  41          1HB       LYS  41 -19.045  -2.556   3.876
  328   1HG   LYS  41          2HG       LYS  41 -19.701  -2.924   1.453
  329   2HG   LYS  41          1HG       LYS  41 -19.735  -4.647   1.802
  330   1HD   LYS  41          2HD       LYS  41 -21.982  -3.860   2.079
  331   2HD   LYS  41          1HD       LYS  41 -21.340  -4.112   3.702
  332   1HE   LYS  41          2HE       LYS  41 -20.605  -1.502   3.244
  333   2HE   LYS  41          1HE       LYS  41 -22.155  -1.598   2.384
  334   1HZ   LYS  41          1HZ       LYS  41 -22.497  -1.112   4.733
  335   2HZ   LYS  41          2HZ       LYS  41 -21.660  -2.527   5.164
  336   3HZ   LYS  41          3HZ       LYS  41 -23.138  -2.631   4.333
  337    H    LYS  42           H        LYS  42 -17.313  -3.524   0.121
  338    HA   LYS  42           HA       LYS  42 -17.113  -6.469   0.069
  339   1HB   LYS  42          2HB       LYS  42 -18.560  -4.976  -1.403
  340   2HB   LYS  42          1HB       LYS  42 -17.077  -4.463  -2.205
  341   1HG   LYS  42          2HG       LYS  42 -17.872  -6.222  -3.548
  342   2HG   LYS  42          1HG       LYS  42 -16.662  -7.009  -2.531
  343   1HD   LYS  42          2HD       LYS  42 -19.337  -6.915  -1.303
  344   2HD   LYS  42          1HD       LYS  42 -19.291  -7.831  -2.805
  345   1HE   LYS  42          2HE       LYS  42 -16.964  -8.484  -1.215
  346   2HE   LYS  42          1HE       LYS  42 -18.434  -8.710  -0.256
  347   1HZ   LYS  42          1HZ       LYS  42 -19.408  -9.882  -2.182
  348   2HZ   LYS  42          2HZ       LYS  42 -18.054 -10.685  -1.542
  349   3HZ   LYS  42          3HZ       LYS  42 -17.912  -9.784  -2.976
  350    H    LEU  43           H        LEU  43 -14.864  -4.127   0.620
  351    HA   LEU  43           HA       LEU  43 -12.769  -5.355  -1.123
  352   1HB   LEU  43          2HB       LEU  43 -13.019  -2.733   0.375
  353   2HB   LEU  43          1HB       LEU  43 -11.541  -3.237  -0.442
  354    HG   LEU  43           HG       LEU  43 -14.237  -3.008  -1.805
  355   1HD1  LEU  43          1HD1      LEU  43 -13.231  -0.822  -0.970
  356   2HD1  LEU  43          2HD1      LEU  43 -13.493  -0.916  -2.712
  357   3HD1  LEU  43          3HD1      LEU  43 -11.873  -1.134  -2.051
  358   1HD2  LEU  43          1HD2      LEU  43 -12.926  -4.513  -3.054
  359   2HD2  LEU  43          2HD2      LEU  43 -11.429  -3.656  -2.689
  360   3HD2  LEU  43          3HD2      LEU  43 -12.588  -2.964  -3.824
  361    H    GLY  44           H        GLY  44 -13.720  -4.648   2.200
  362   1HA   GLY  44          2HA       GLY  44 -11.259  -5.321   3.495
  363   2HA   GLY  44          1HA       GLY  44 -12.850  -5.368   4.257
  364    H    GLU  45           H        GLU  45 -13.928  -7.275   2.288
  365    HA   GLU  45           HA       GLU  45 -13.332  -9.739   3.612
  366   1HB   GLU  45          2HB       GLU  45 -15.308  -8.905   2.071
  367   2HB   GLU  45          1HB       GLU  45 -14.326  -9.594   0.777
  368   1HG   GLU  45          2HG       GLU  45 -14.378 -11.769   1.762
  369   2HG   GLU  45          1HG       GLU  45 -15.025 -11.142   3.279
  370    H    MET  46           H        MET  46 -12.386  -8.637   0.333
  371    HA   MET  46           HA       MET  46 -10.629 -10.833  -0.232
  372   1HB   MET  46          2HB       MET  46 -10.674  -7.968  -1.236
  373   2HB   MET  46          1HB       MET  46  -9.829  -9.301  -2.022
  374   1HG   MET  46          2HG       MET  46 -12.041 -10.508  -2.169
  375   2HG   MET  46          1HG       MET  46 -12.816  -9.032  -1.594
  376   1HE   MET  46          1HE       MET  46 -12.508 -11.032  -4.355
  377   2HE   MET  46          2HE       MET  46 -12.960  -9.927  -5.650
  378   3HE   MET  46          3HE       MET  46 -13.953 -10.023  -4.198
  379    H    TRP  47           H        TRP  47 -10.205  -7.912   1.659
  380    HA   TRP  47           HA       TRP  47  -7.281  -7.940   1.603
  381   1HB   TRP  47          2HB       TRP  47  -8.692  -5.919   1.953
  382   2HB   TRP  47          1HB       TRP  47  -9.272  -6.606   3.470
  383    HD1  TRP  47           HD       TRP  47  -7.886  -6.126   5.555
  384    HE1  TRP  47           1HE      TRP  47  -5.548  -5.143   6.019
  385    HE3  TRP  47           3HE      TRP  47  -6.115  -5.769   0.779
  386    HZ2  TRP  47           2HZ      TRP  47  -3.233  -4.315   4.557
  387    HZ3  TRP  47           3HZ      TRP  47  -3.843  -4.881   0.343
  388    HH2  TRP  47           HH       TRP  47  -2.400  -4.154   2.224
  389    H    SER  48           H        SER  48  -9.819  -9.082   3.836
  390    HA   SER  48           HA       SER  48  -7.903 -10.001   5.848
  391   1HB   SER  48          2HB       SER  48 -10.867 -10.088   5.374
  392   2HB   SER  48          1HB       SER  48 -10.166 -11.110   6.625
  393    HG   SER  48           HG       SER  48 -10.570  -9.225   7.637
  394    H    GLU  49           H        GLU  49  -9.491 -11.368   3.033
  395    HA   GLU  49           HA       GLU  49  -9.172 -14.160   3.726
  396   1HB   GLU  49          2HB       GLU  49  -9.636 -12.548   1.218
  397   2HB   GLU  49          1HB       GLU  49  -9.405 -14.295   1.129
  398   1HG   GLU  49          2HG       GLU  49 -11.403 -13.091   3.040
  399   2HG   GLU  49          1HG       GLU  49 -11.832 -13.411   1.360
  400    H    GLN  50           H        GLN  50  -7.240 -11.864   1.792
  401    HA   GLN  50           HA       GLN  50  -5.207 -13.611   0.873
  402   1HB   GLN  50          2HB       GLN  50  -5.155 -10.698   1.722
  403   2HB   GLN  50          1HB       GLN  50  -3.865 -11.479   0.805
  404   1HG   GLN  50          2HG       GLN  50  -6.706 -11.640  -0.169
  405   2HG   GLN  50          1HG       GLN  50  -5.745 -10.196  -0.490
  406   1HE2  GLN  50          1HE2      GLN  50  -5.118 -10.418  -2.661
  407   2HE2  GLN  50          2HE2      GLN  50  -4.363 -11.796  -3.304
  408    H    SER  51           H        SER  51  -3.083 -14.047   1.715
  409    HA   SER  51           HA       SER  51  -2.992 -14.248   4.675
  410   1HB   SER  51          2HB       SER  51  -1.116 -15.308   2.537
  411   2HB   SER  51          1HB       SER  51  -1.233 -15.860   4.205
  412    HG   SER  51           HG       SER  51  -2.397 -17.076   2.465
  413    H    ALA  52           H        ALA  52  -0.009 -14.300   4.630
  414    HA   ALA  52           HA       ALA  52   0.435 -11.372   4.769
  415   1HB   ALA  52          1HB       ALA  52   2.198 -13.730   5.509
  416   2HB   ALA  52          2HB       ALA  52   1.044 -12.966   6.602
  417   3HB   ALA  52          3HB       ALA  52   2.432 -12.055   6.007
  418    H    LYS  53           H        LYS  53   0.167 -12.410   2.095
  419    HA   LYS  53           HA       LYS  53   2.989 -12.217   1.091
  420   1HB   LYS  53          2HB       LYS  53   0.582 -13.843   0.348
  421   2HB   LYS  53          1HB       LYS  53   1.719 -13.405  -0.928
  422   1HG   LYS  53          2HG       LYS  53   2.653 -15.400  -0.190
  423   2HG   LYS  53          1HG       LYS  53   3.517 -14.241   0.822
  424   1HD   LYS  53          2HD       LYS  53   2.266 -14.759   2.721
  425   2HD   LYS  53          1HD       LYS  53   0.907 -15.375   1.780
  426   1HE   LYS  53          2HE       LYS  53   3.528 -16.806   1.531
  427   2HE   LYS  53          1HE       LYS  53   2.568 -17.062   3.002
  428   1HZ   LYS  53          1HZ       LYS  53   1.896 -18.596   1.246
  429   2HZ   LYS  53          2HZ       LYS  53   1.555 -17.290   0.215
  430   3HZ   LYS  53          3HZ       LYS  53   0.637 -17.524   1.625
  431    H    ASP  54           H        ASP  54  -0.418 -11.517   0.234
  432    HA   ASP  54           HA       ASP  54   0.116  -9.758  -1.952
  433   1HB   ASP  54          2HB       ASP  54  -2.057 -10.885  -1.184
  434   2HB   ASP  54          1HB       ASP  54  -2.202  -9.572  -0.015
  435    H    LYS  55           H        LYS  55   0.161  -9.218   1.528
  436    HA   LYS  55           HA       LYS  55   0.155  -6.290   1.299
  437   1HB   LYS  55          2HB       LYS  55  -0.549  -8.062   3.217
  438   2HB   LYS  55          1HB       LYS  55   1.084  -7.682   3.757
  439   1HG   LYS  55          2HG       LYS  55   0.468  -5.231   3.539
  440   2HG   LYS  55          1HG       LYS  55  -1.200  -5.750   3.298
  441   1HD   LYS  55          2HD       LYS  55  -1.046  -5.325   5.626
  442   2HD   LYS  55          1HD       LYS  55  -0.915  -7.080   5.487
  443   1HE   LYS  55          2HE       LYS  55   1.652  -6.680   5.391
  444   2HE   LYS  55          1HE       LYS  55   1.274  -5.074   6.044
  445   1HZ   LYS  55          1HZ       LYS  55   0.343  -7.653   7.193
  446   2HZ   LYS  55          2HZ       LYS  55   0.018  -6.107   7.817
  447   3HZ   LYS  55          3HZ       LYS  55   1.606  -6.710   7.819
  448    H    GLN  56           H        GLN  56   2.556  -8.862   1.748
  449    HA   GLN  56           HA       GLN  56   4.836  -7.582   2.609
  450   1HB   GLN  56          2HB       GLN  56   4.177  -9.781   0.748
  451   2HB   GLN  56          1HB       GLN  56   5.817  -9.150   0.594
  452   1HG   GLN  56          2HG       GLN  56   5.793  -9.314   3.232
  453   2HG   GLN  56          1HG       GLN  56   4.512 -10.490   2.939
  454   1HE2  GLN  56          1HE2      GLN  56   7.540 -10.708   3.756
  455   2HE2  GLN  56          2HE2      GLN  56   8.123 -11.917   2.717
  456    HA   PRO  57           HA       PRO  57   5.944  -5.778  -1.647
  457   1HB   PRO  57          2HB       PRO  57   4.209  -5.988  -3.731
  458   2HB   PRO  57          1HB       PRO  57   5.405  -7.243  -3.348
  459   1HG   PRO  57          2HG       PRO  57   2.499  -7.171  -2.806
  460   2HG   PRO  57          1HG       PRO  57   3.533  -8.545  -3.214
  461   1HD   PRO  57          2HD       PRO  57   2.624  -7.931  -0.674
  462   2HD   PRO  57          1HD       PRO  57   4.035  -8.947  -1.039
  463    H    TYR  58           H        TYR  58   2.438  -5.634  -1.056
  464    HA   TYR  58           HA       TYR  58   2.226  -2.849  -1.963
  465   1HB   TYR  58          2HB       TYR  58   0.567  -5.092  -1.632
  466   2HB   TYR  58          1HB       TYR  58  -0.021  -3.930  -0.447
  467    HD1  TYR  58           1HD      TYR  58  -0.588  -1.568  -1.222
  468    HD2  TYR  58           2HD      TYR  58   0.152  -4.805  -3.948
  469    HE1  TYR  58           1HE      TYR  58  -1.708  -0.300  -3.036
  470    HE2  TYR  58           2HE      TYR  58  -0.967  -3.536  -5.760
  471    HH   TYR  58           HH       TYR  58  -2.928  -1.465  -5.610
  472    H    GLU  59           H        GLU  59   3.401  -4.129   0.914
  473    HA   GLU  59           HA       GLU  59   2.148  -2.053   2.639
  474   1HB   GLU  59          2HB       GLU  59   3.103  -3.384   4.453
  475   2HB   GLU  59          1HB       GLU  59   2.292  -4.454   3.322
  476   1HG   GLU  59          2HG       GLU  59   4.230  -5.633   3.315
  477   2HG   GLU  59          1HG       GLU  59   4.845  -4.346   2.282
  478    H    GLN  60           H        GLN  60   5.183  -2.811   1.063
  479    HA   GLN  60           HA       GLN  60   6.849  -1.035   2.647
  480   1HB   GLN  60          2HB       GLN  60   8.464  -1.469   0.806
  481   2HB   GLN  60          1HB       GLN  60   7.717  -2.956   1.386
  482   1HG   GLN  60          2HG       GLN  60   6.324  -3.138  -0.509
  483   2HG   GLN  60          1HG       GLN  60   6.549  -1.447  -0.951
  484   1HE2  GLN  60          1HE2      GLN  60   8.503  -4.456  -0.537
  485   2HE2  GLN  60          2HE2      GLN  60   9.565  -4.114  -1.817
  486    H    LYS  61           H        LYS  61   4.660  -0.580  -0.026
  487    HA   LYS  61           HA       LYS  61   5.733   1.780  -1.224
  488   1HB   LYS  61          2HB       LYS  61   3.928   0.418  -2.177
  489   2HB   LYS  61          1HB       LYS  61   2.884   0.803  -0.811
  490   1HG   LYS  61          2HG       LYS  61   2.583   3.022  -1.497
  491   2HG   LYS  61          1HG       LYS  61   4.040   3.014  -2.495
  492   1HD   LYS  61          2HD       LYS  61   2.776   1.144  -3.837
  493   2HD   LYS  61          1HD       LYS  61   1.339   1.834  -3.080
  494   1HE   LYS  61          2HE       LYS  61   2.253   4.125  -3.910
  495   2HE   LYS  61          1HE       LYS  61   3.270   3.153  -4.992
  496   1HZ   LYS  61          1HZ       LYS  61   0.314   2.967  -4.727
  497   2HZ   LYS  61          2HZ       LYS  61   1.272   1.957  -5.701
  498   3HZ   LYS  61          3HZ       LYS  61   1.156   3.616  -6.049
  499    H    ALA  62           H        ALA  62   3.503   1.397   1.553
  500    HA   ALA  62           HA       ALA  62   3.304   4.280   1.983
  501   1HB   ALA  62          1HB       ALA  62   2.515   1.773   3.485
  502   2HB   ALA  62          2HB       ALA  62   1.463   2.910   2.640
  503   3HB   ALA  62          3HB       ALA  62   2.235   3.380   4.154
  504    H    ALA  63           H        ALA  63   5.674   1.893   2.726
  505    HA   ALA  63           HA       ALA  63   6.662   2.743   5.255
  506   1HB   ALA  63          1HB       ALA  63   8.290   1.823   2.864
  507   2HB   ALA  63          2HB       ALA  63   7.303   0.724   3.827
  508   3HB   ALA  63          3HB       ALA  63   8.660   1.572   4.571
  509    H    LYS  64           H        LYS  64   7.262   3.977   1.951
  510    HA   LYS  64           HA       LYS  64   9.258   5.925   2.682
  511   1HB   LYS  64          2HB       LYS  64   8.979   5.138   0.414
  512   2HB   LYS  64          1HB       LYS  64   7.288   5.606   0.416
  513   1HG   LYS  64          2HG       LYS  64   7.790   7.689  -0.260
  514   2HG   LYS  64          1HG       LYS  64   8.931   7.893   1.069
  515   1HD   LYS  64          2HD       LYS  64  10.145   8.133  -1.021
  516   2HD   LYS  64          1HD       LYS  64  10.626   6.612  -0.267
  517   1HE   LYS  64          2HE       LYS  64   9.289   5.322  -1.769
  518   2HE   LYS  64          1HE       LYS  64   8.416   6.758  -2.339
  519   1HZ   LYS  64          1HZ       LYS  64  10.139   6.225  -3.909
  520   2HZ   LYS  64          2HZ       LYS  64  11.314   6.195  -2.683
  521   3HZ   LYS  64          3HZ       LYS  64  10.561   7.658  -3.107
  522    H    LEU  65           H        LEU  65   5.845   6.379   1.736
  523    HA   LEU  65           HA       LEU  65   5.399   9.026   2.394
  524   1HB   LEU  65          2HB       LEU  65   3.693   6.557   2.740
  525   2HB   LEU  65          1HB       LEU  65   3.044   8.179   2.969
  526    HG   LEU  65           HG       LEU  65   4.522   8.218   0.525
  527   1HD1  LEU  65          1HD1      LEU  65   3.691   6.433  -0.756
  528   2HD1  LEU  65          2HD1      LEU  65   2.420   6.063   0.410
  529   3HD1  LEU  65          3HD1      LEU  65   4.097   5.660   0.777
  530   1HD2  LEU  65          1HD2      LEU  65   1.615   8.372   1.316
  531   2HD2  LEU  65          2HD2      LEU  65   2.091   8.447  -0.380
  532   3HD2  LEU  65          3HD2      LEU  65   2.675   9.664   0.754
  533    H    LYS  66           H        LYS  66   5.951   6.458   4.728
  534    HA   LYS  66           HA       LYS  66   4.850   7.843   7.044
  535   1HB   LYS  66          2HB       LYS  66   5.224   5.396   6.884
  536   2HB   LYS  66          1HB       LYS  66   6.962   5.671   6.784
  537   1HG   LYS  66          2HG       LYS  66   7.128   6.309   9.007
  538   2HG   LYS  66          1HG       LYS  66   5.456   6.867   9.079
  539   1HD   LYS  66          2HD       LYS  66   4.679   4.514   8.957
  540   2HD   LYS  66          1HD       LYS  66   6.359   3.975   8.945
  541   1HE   LYS  66          2HE       LYS  66   6.738   4.771  11.168
  542   2HE   LYS  66          1HE       LYS  66   5.228   5.705  11.165
  543   1HZ   LYS  66          1HZ       LYS  66   4.990   3.550  12.304
  544   2HZ   LYS  66          2HZ       LYS  66   5.396   2.753  10.858
  545   3HZ   LYS  66          3HZ       LYS  66   3.975   3.678  10.951
  546    H    GLU  67           H        GLU  67   8.093   7.439   5.629
  547    HA   GLU  67           HA       GLU  67   9.352   9.278   7.546
  548   1HB   GLU  67          2HB       GLU  67  10.143   7.631   5.156
  549   2HB   GLU  67          1HB       GLU  67  11.245   8.874   5.753
  550   1HG   GLU  67          2HG       GLU  67  10.035   6.985   7.734
  551   2HG   GLU  67          1HG       GLU  67  11.346   6.397   6.709
  552    H    LYS  68           H        LYS  68   7.526   9.629   4.669
  553    HA   LYS  68           HA       LYS  68   8.860  12.167   3.872
  554   1HB   LYS  68          2HB       LYS  68   7.756  10.048   2.490
  555   2HB   LYS  68          1HB       LYS  68   6.440  11.220   2.462
  556   1HG   LYS  68          2HG       LYS  68   7.770  11.677   0.525
  557   2HG   LYS  68          1HG       LYS  68   8.155  12.942   1.692
  558   1HD   LYS  68          2HD       LYS  68  10.303  12.330   1.160
  559   2HD   LYS  68          1HD       LYS  68  10.004  11.128   2.417
  560   1HE   LYS  68          2HE       LYS  68  10.745   9.746   0.686
  561   2HE   LYS  68          1HE       LYS  68   9.002   9.753   0.350
  562   1HZ   LYS  68          1HZ       LYS  68  11.000  11.627  -0.804
  563   2HZ   LYS  68          2HZ       LYS  68   9.327  11.672  -1.092
  564   3HZ   LYS  68          3HZ       LYS  68  10.250  10.352  -1.633
  565    H    TYR  69           H        TYR  69   5.883  10.858   5.241
  566    HA   TYR  69           HA       TYR  69   4.422  13.388   5.204
  567   1HB   TYR  69          2HB       TYR  69   3.315  11.191   5.127
  568   2HB   TYR  69          1HB       TYR  69   4.039  10.753   6.674
  569    HD1  TYR  69           1HD      TYR  69   1.459  12.771   5.001
  570    HD2  TYR  69           2HD      TYR  69   3.288  11.801   8.765
  571    HE1  TYR  69           1HE      TYR  69  -0.435  13.837   6.197
  572    HE2  TYR  69           2HE      TYR  69   1.393  12.865   9.959
  573    HH   TYR  69           HH       TYR  69  -1.169  13.326   9.298
  574    H    GLU  70           H        GLU  70   5.959  11.389   7.761
  575    HA   GLU  70           HA       GLU  70   5.613  13.380   9.844
  576   1HB   GLU  70          2HB       GLU  70   7.281  10.889   9.463
  577   2HB   GLU  70          1HB       GLU  70   7.365  11.838  10.947
  578   1HG   GLU  70          2HG       GLU  70   4.974  11.549  11.321
  579   2HG   GLU  70          1HG       GLU  70   4.805  10.707   9.779
  580    H    LYS  71           H        LYS  71   7.766  13.295   7.184
  581    HA   LYS  71           HA       LYS  71   9.809  14.927   8.638
  582   1HB   LYS  71          2HB       LYS  71  10.394  12.785   7.396
  583   2HB   LYS  71          1HB       LYS  71   9.967  13.628   5.906
  584   1HG   LYS  71          2HG       LYS  71  11.674  15.303   6.291
  585   2HG   LYS  71          1HG       LYS  71  12.020  14.644   7.891
  586   1HD   LYS  71          2HD       LYS  71  12.263  12.914   5.436
  587   2HD   LYS  71          1HD       LYS  71  13.585  13.974   5.924
  588   1HE   LYS  71          2HE       LYS  71  12.314  12.133   7.946
  589   2HE   LYS  71          1HE       LYS  71  13.575  11.533   6.851
  590   1HZ   LYS  71          1HZ       LYS  71  14.556  12.461   8.860
  591   2HZ   LYS  71          2HZ       LYS  71  13.780  13.945   8.578
  592   3HZ   LYS  71          3HZ       LYS  71  14.978  13.393   7.507
  593    H    ASP  72           H        ASP  72   7.634  14.892   5.834
  594    HA   ASP  72           HA       ASP  72   8.540  17.507   4.854
  595   1HB   ASP  72          2HB       ASP  72   7.655  15.554   3.489
  596   2HB   ASP  72          1HB       ASP  72   6.058  15.920   4.145
  597    H    ILE  73           H        ILE  73   5.910  16.254   6.864
  598    HA   ILE  73           HA       ILE  73   4.284  18.639   6.820
  599    HB   ILE  73           HB       ILE  73   3.620  16.279   7.460
  600   1HG1  ILE  73          2HG1      ILE  73   2.290  17.140   9.549
  601   2HG1  ILE  73          1HG1      ILE  73   3.021  18.695   9.147
  602   1HG2  ILE  73          1HG2      ILE  73   4.143  15.396   9.598
  603   2HG2  ILE  73          2HG2      ILE  73   4.756  16.945  10.178
  604   3HG2  ILE  73          3HG2      ILE  73   5.678  16.021   8.991
  605   1HD1  ILE  73          1HD1      ILE  73   0.750  18.243   8.076
  606   2HD1  ILE  73          2HD1      ILE  73   1.552  17.006   7.108
  607   3HD1  ILE  73          3HD1      ILE  73   2.040  18.694   6.961
  608    H    ALA  74           H        ALA  74   7.241  17.840   8.463
  609    HA   ALA  74           HA       ALA  74   7.009  19.533  10.775
  610   1HB   ALA  74          1HB       ALA  74   9.329  18.527   9.096
  611   2HB   ALA  74          2HB       ALA  74   8.729  17.844  10.607
  612   3HB   ALA  74          3HB       ALA  74   9.554  19.404  10.610
  613    H    ALA  75           H        ALA  75   7.917  20.097   7.415
  614    HA   ALA  75           HA       ALA  75   8.724  22.887   7.870
  615   1HB   ALA  75          1HB       ALA  75   9.778  21.470   6.163
  616   2HB   ALA  75          2HB       ALA  75   8.952  22.820   5.386
  617   3HB   ALA  75          3HB       ALA  75   8.217  21.216   5.386
  618    H    TYR  76           H        TYR  76   5.754  21.188   7.355
  619    HA   TYR  76           HA       TYR  76   4.369  23.523   6.167
  620   1HB   TYR  76          2HB       TYR  76   4.089  21.066   5.501
  621   2HB   TYR  76          1HB       TYR  76   3.248  20.848   7.037
  622    HD1  TYR  76           1HD      TYR  76   3.263  23.152   4.072
  623    HD2  TYR  76           2HD      TYR  76   0.941  21.172   7.096
  624    HE1  TYR  76           1HE      TYR  76   1.183  24.050   3.064
  625    HE2  TYR  76           2HE      TYR  76  -1.139  22.071   6.087
  626    HH   TYR  76           HH       TYR  76  -1.266  23.398   3.015
  627    H    ARG  77           H        ARG  77   5.449  23.612   8.956
  628    HA   ARG  77           HA       ARG  77   2.900  24.313  10.324
  629   1HB   ARG  77          2HB       ARG  77   5.200  22.652  11.417
  630   2HB   ARG  77          1HB       ARG  77   3.839  23.221  12.382
  631   1HG   ARG  77          2HG       ARG  77   2.282  22.009  10.886
  632   2HG   ARG  77          1HG       ARG  77   3.657  21.408   9.960
  633   1HD   ARG  77          2HD       ARG  77   2.999  19.687  11.563
  634   2HD   ARG  77          1HD       ARG  77   4.539  20.381  12.107
  635    HE   ARG  77           HE       ARG  77   3.361  21.567  13.838
  636   1HH1  ARG  77          1HH1      ARG  77   1.856  18.799  13.422
  637   2HH1  ARG  77          2HH1      ARG  77   0.231  19.337  13.691
  638   1HH2  ARG  77          1HH2      ARG  77   1.025  22.704  13.453
  639   2HH2  ARG  77          2HH2      ARG  77  -0.239  21.547  13.708
  640    H    ALA  78           H        ALA  78   5.799  24.442  12.238
  641    HA   ALA  78           HA       ALA  78   6.390  27.234  11.394
  642   1HB   ALA  78          1HB       ALA  78   4.585  27.183  13.142
  643   2HB   ALA  78          2HB       ALA  78   6.044  28.015  13.680
  644   3HB   ALA  78          3HB       ALA  78   5.716  26.371  14.225
  645    H    LYS  79           H        LYS  79   8.100  25.147  10.878
  646    HA   LYS  79           HA       LYS  79  10.034  24.866  13.098
  647   1HB   LYS  79          2HB       LYS  79   9.300  23.528  10.614
  648   2HB   LYS  79          1HB       LYS  79  11.046  23.743  10.726
  649   1HG   LYS  79          2HG       LYS  79  10.595  21.661  11.795
  650   2HG   LYS  79          1HG       LYS  79  10.865  22.813  13.103
  651   1HD   LYS  79          2HD       LYS  79   8.069  22.516  12.110
  652   2HD   LYS  79          1HD       LYS  79   8.731  21.189  13.065
  653   1HE   LYS  79          2HE       LYS  79   9.522  23.173  14.658
  654   2HE   LYS  79          1HE       LYS  79   8.157  24.010  13.893
  655   1HZ   LYS  79          1HZ       LYS  79   6.713  22.204  14.440
  656   2HZ   LYS  79          2HZ       LYS  79   7.512  22.673  15.865
  657   3HZ   LYS  79          3HZ       LYS  79   8.000  21.273  15.035
  Start of MODEL   26
    1   1H    MET   1          1HT       MET   1  -3.597   9.746  -8.545
    2   2H    MET   1          2HT       MET   1  -3.279  11.047  -7.500
    3   3H    MET   1          3HT       MET   1  -2.738  11.094  -9.109
    4    HA   MET   1           HA       MET   1  -4.944  11.295  -9.947
    5   1HB   MET   1          2HB       MET   1  -6.838  11.134  -8.334
    6   2HB   MET   1          1HB       MET   1  -5.891   9.649  -8.398
    7   1HG   MET   1          2HG       MET   1  -5.079   9.912  -6.273
    8   2HG   MET   1          1HG       MET   1  -5.002  11.666  -6.411
    9   1HE   MET   1          1HE       MET   1  -8.715   9.099  -5.750
   10   2HE   MET   1          2HE       MET   1  -7.206   8.653  -4.958
   11   3HE   MET   1          3HE       MET   1  -7.272   8.762  -6.716
   12    H    LYS   2           H        LYS   2  -6.726  13.079  -8.844
   13    HA   LYS   2           HA       LYS   2  -5.013  15.476  -8.420
   14   1HB   LYS   2          2HB       LYS   2  -7.638  14.797  -9.592
   15   2HB   LYS   2          1HB       LYS   2  -7.614  16.318  -8.701
   16   1HG   LYS   2          2HG       LYS   2  -6.990  16.925 -10.904
   17   2HG   LYS   2          1HG       LYS   2  -5.462  16.848 -10.026
   18   1HD   LYS   2          2HD       LYS   2  -4.864  14.792 -10.996
   19   2HD   LYS   2          1HD       LYS   2  -6.524  14.422 -11.463
   20   1HE   LYS   2          2HE       LYS   2  -6.058  16.784 -12.817
   21   2HE   LYS   2          1HE       LYS   2  -4.482  15.970 -12.896
   22   1HZ   LYS   2          1HZ       LYS   2  -5.563  13.962 -13.641
   23   2HZ   LYS   2          2HZ       LYS   2  -5.976  15.239 -14.683
   24   3HZ   LYS   2          3HZ       LYS   2  -7.089  14.691 -13.523
   25    H    LYS   3           H        LYS   3  -5.277  13.710  -6.179
   26    HA   LYS   3           HA       LYS   3  -7.359  14.332  -4.351
   27   1HB   LYS   3          2HB       LYS   3  -5.549  12.529  -4.270
   28   2HB   LYS   3          1HB       LYS   3  -4.463  13.779  -3.662
   29   1HG   LYS   3          2HG       LYS   3  -5.924  14.185  -1.755
   30   2HG   LYS   3          1HG       LYS   3  -7.112  13.044  -2.385
   31   1HD   LYS   3          2HD       LYS   3  -4.268  12.211  -1.806
   32   2HD   LYS   3          1HD       LYS   3  -5.518  12.169  -0.563
   33   1HE   LYS   3          2HE       LYS   3  -6.773  10.523  -1.706
   34   2HE   LYS   3          1HE       LYS   3  -5.950  10.843  -3.246
   35   1HZ   LYS   3          1HZ       LYS   3  -5.061   8.858  -2.150
   36   2HZ   LYS   3          2HZ       LYS   3  -4.646   9.789  -0.791
   37   3HZ   LYS   3          3HZ       LYS   3  -3.885  10.073  -2.283
   38    H    LYS   4           H        LYS   4  -4.053  15.724  -4.449
   39    HA   LYS   4           HA       LYS   4  -5.105  18.354  -3.685
   40   1HB   LYS   4          2HB       LYS   4  -3.669  16.445  -1.918
   41   2HB   LYS   4          1HB       LYS   4  -3.144  18.127  -1.827
   42   1HG   LYS   4          2HG       LYS   4  -5.529  18.804  -1.488
   43   2HG   LYS   4          1HG       LYS   4  -5.967  17.097  -1.435
   44   1HD   LYS   4          2HD       LYS   4  -5.698  17.814   0.844
   45   2HD   LYS   4          1HD       LYS   4  -4.289  16.829   0.447
   46   1HE   LYS   4          2HE       LYS   4  -2.954  18.849   0.032
   47   2HE   LYS   4          1HE       LYS   4  -4.372  19.868   0.353
   48   1HZ   LYS   4          1HZ       LYS   4  -3.157  17.925   2.249
   49   2HZ   LYS   4          2HZ       LYS   4  -4.551  18.849   2.548
   50   3HZ   LYS   4          3HZ       LYS   4  -3.045  19.613   2.357
   51    H    ASP   5           H        ASP   5  -2.753  19.622  -3.091
   52    HA   ASP   5           HA       ASP   5  -1.489  20.059  -5.590
   53   1HB   ASP   5          2HB       ASP   5  -1.015  20.663  -2.719
   54   2HB   ASP   5          1HB       ASP   5   0.368  20.876  -3.795
   55    HA   PRO   6           HA       PRO   6   1.247  16.569  -5.828
   56   1HB   PRO   6          2HB       PRO   6   3.067  17.531  -7.627
   57   2HB   PRO   6          1HB       PRO   6   1.437  17.005  -8.093
   58   1HG   PRO   6          2HG       PRO   6   2.495  19.753  -7.686
   59   2HG   PRO   6          1HG       PRO   6   1.343  19.152  -8.888
   60   1HD   PRO   6          2HD       PRO   6   0.622  20.533  -6.639
   61   2HD   PRO   6          1HD       PRO   6  -0.440  19.386  -7.483
   62    H    ASN   7           H        ASN   7   2.411  19.792  -5.064
   63    HA   ASN   7           HA       ASN   7   5.084  18.958  -4.240
   64   1HB   ASN   7          2HB       ASN   7   4.200  21.235  -5.107
   65   2HB   ASN   7          1HB       ASN   7   3.633  21.486  -3.456
   66   1HD2  ASN   7          1HD2      ASN   7   5.455  21.002  -1.724
   67   2HD2  ASN   7          2HD2      ASN   7   7.004  21.583  -2.106
   68    H    ALA   8           H        ALA   8   1.952  18.952  -2.715
   69    HA   ALA   8           HA       ALA   8   3.193  18.799  -0.003
   70   1HB   ALA   8          1HB       ALA   8   0.863  19.202   0.740
   71   2HB   ALA   8          2HB       ALA   8   0.321  19.130  -0.938
   72   3HB   ALA   8          3HB       ALA   8   1.381  20.437  -0.407
   73    HA   PRO   9           HA       PRO   9   2.481  14.401  -0.351
   74   1HB   PRO   9          2HB       PRO   9   2.942  13.696   2.247
   75   2HB   PRO   9          1HB       PRO   9   4.245  14.090   1.109
   76   1HG   PRO   9          2HG       PRO   9   3.023  15.773   3.237
   77   2HG   PRO   9          1HG       PRO   9   4.715  15.640   2.738
   78   1HD   PRO   9          2HD       PRO   9   3.081  17.698   2.002
   79   2HD   PRO   9          1HD       PRO   9   4.460  17.143   1.028
   80    H    LYS  10           H        LYS  10   0.348  13.829  -0.602
   81    HA   LYS  10           HA       LYS  10  -1.852  14.760   0.931
   82   1HB   LYS  10          2HB       LYS  10  -3.063  12.950  -0.228
   83   2HB   LYS  10          1HB       LYS  10  -1.945  13.748  -1.333
   84   1HG   LYS  10          2HG       LYS  10  -0.378  11.749  -0.230
   85   2HG   LYS  10          1HG       LYS  10  -1.954  10.973  -0.359
   86   1HD   LYS  10          2HD       LYS  10  -2.021  11.897  -2.763
   87   2HD   LYS  10          1HD       LYS  10  -0.294  12.202  -2.562
   88   1HE   LYS  10          2HE       LYS  10  -0.005   9.776  -1.930
   89   2HE   LYS  10          1HE       LYS  10  -1.706   9.519  -2.369
   90   1HZ   LYS  10          1HZ       LYS  10   0.303  10.776  -4.160
   91   2HZ   LYS  10          2HZ       LYS  10  -1.292  10.342  -4.557
   92   3HZ   LYS  10          3HZ       LYS  10  -0.134   9.139  -4.237
   93    H    ARG  11           H        ARG  11  -3.264  12.400   1.680
   94    HA   ARG  11           HA       ARG  11  -2.483  12.003   4.369
   95   1HB   ARG  11          2HB       ARG  11  -4.206  10.590   2.356
   96   2HB   ARG  11          1HB       ARG  11  -3.947   9.839   3.931
   97   1HG   ARG  11          2HG       ARG  11  -5.296  11.327   4.979
   98   2HG   ARG  11          1HG       ARG  11  -4.578  12.699   4.135
   99   1HD   ARG  11          2HD       ARG  11  -5.930  11.704   2.065
  100   2HD   ARG  11          1HD       ARG  11  -6.941  11.026   3.357
  101    HE   ARG  11           HE       ARG  11  -6.252  13.855   3.726
  102   1HH1  ARG  11          1HH2      ARG  11  -8.715  12.707   4.877
  103   2HH1  ARG  11          2HH2      ARG  11  -9.946  13.262   3.793
  104   1HH2  ARG  11          1HH1      ARG  11  -7.722  14.073   1.260
  105   2HH2  ARG  11          2HH1      ARG  11  -9.384  14.036   1.745
  106    HA   PRO  12           HA       PRO  12   0.800   9.062   3.960
  107   1HB   PRO  12          2HB       PRO  12   0.750   7.938   6.450
  108   2HB   PRO  12          1HB       PRO  12   1.383   9.567   6.140
  109   1HG   PRO  12          2HG       PRO  12  -1.221   8.737   7.288
  110   2HG   PRO  12          1HG       PRO  12  -0.210  10.136   7.664
  111   1HD   PRO  12          2HD       PRO  12  -2.478  10.214   6.100
  112   2HD   PRO  12          1HD       PRO  12  -1.173  11.418   6.055
  113    HA   PRO  13           HA       PRO  13  -1.781   5.478   3.101
  114   1HB   PRO  13          2HB       PRO  13  -0.016   4.154   1.489
  115   2HB   PRO  13          1HB       PRO  13  -0.987   5.533   0.936
  116   1HG   PRO  13          2HG       PRO  13   1.880   5.398   1.602
  117   2HG   PRO  13          1HG       PRO  13   1.024   6.471   0.487
  118   1HD   PRO  13          2HD       PRO  13   1.921   7.110   3.073
  119   2HD   PRO  13          1HD       PRO  13   0.830   8.078   2.064
  120    H    SER  14           H        SER  14  -1.282   2.960   3.204
  121    HA   SER  14           HA       SER  14   0.946   2.125   4.896
  122   1HB   SER  14          2HB       SER  14  -0.663   3.420   6.388
  123   2HB   SER  14          1HB       SER  14  -1.832   2.134   6.103
  124    HG   SER  14           HG       SER  14  -0.350   0.673   6.991
  125    H    ALA  15           H        ALA  15   0.409   0.944   2.551
  126    HA   ALA  15           HA       ALA  15   0.064  -1.152   1.594
  127   1HB   ALA  15          1HB       ALA  15  -1.109  -2.529   3.873
  128   2HB   ALA  15          2HB       ALA  15   0.326  -1.628   4.361
  129   3HB   ALA  15          3HB       ALA  15   0.434  -2.825   3.072
  130    H    PHE  16           H        PHE  16  -2.572  -1.186   4.031
  131    HA   PHE  16           HA       PHE  16  -4.642  -2.070   2.393
  132   1HB   PHE  16          2HB       PHE  16  -4.557  -1.585   4.893
  133   2HB   PHE  16          1HB       PHE  16  -4.906   0.094   4.488
  134    HD1  PHE  16           1HD      PHE  16  -6.150  -3.245   3.296
  135    HD2  PHE  16           2HD      PHE  16  -7.145   0.656   4.789
  136    HE1  PHE  16           1HE      PHE  16  -8.562  -3.785   3.096
  137    HE2  PHE  16           2HE      PHE  16  -9.558   0.117   4.590
  138    HZ   PHE  16           HZ       PHE  16 -10.265  -2.104   3.741
  139    H    PHE  17           H        PHE  17  -3.816   1.370   2.999
  140    HA   PHE  17           HA       PHE  17  -5.763   2.532   1.268
  141   1HB   PHE  17          2HB       PHE  17  -3.249   3.269   2.633
  142   2HB   PHE  17          1HB       PHE  17  -3.577   4.221   1.185
  143    HD1  PHE  17           1HD      PHE  17  -4.622   3.466   4.603
  144    HD2  PHE  17           2HD      PHE  17  -5.681   5.530   0.989
  145    HE1  PHE  17           1HE      PHE  17  -6.302   4.794   5.854
  146    HE2  PHE  17           2HE      PHE  17  -7.361   6.858   2.240
  147    HZ   PHE  17           HZ       PHE  17  -7.672   6.490   4.672
  148    H    LEU  18           H        LEU  18  -2.440   1.416   0.639
  149    HA   LEU  18           HA       LEU  18  -2.218   2.269  -2.073
  150   1HB   LEU  18          2HB       LEU  18  -1.048  -0.190  -0.722
  151   2HB   LEU  18          1HB       LEU  18  -0.406   0.609  -2.152
  152    HG   LEU  18           HG       LEU  18  -0.561   1.772   0.651
  153   1HD1  LEU  18          1HD1      LEU  18   1.658   0.757  -1.119
  154   2HD1  LEU  18          2HD1      LEU  18   1.286   0.306   0.545
  155   3HD1  LEU  18          3HD1      LEU  18   1.975   1.892   0.194
  156   1HD2  LEU  18          1HD2      LEU  18   0.326   2.994  -1.985
  157   2HD2  LEU  18          2HD2      LEU  18   0.714   3.687  -0.410
  158   3HD2  LEU  18          3HD2      LEU  18  -0.967   3.568  -0.932
  159    H    PHE  19           H        PHE  19  -3.310  -0.840  -0.689
  160    HA   PHE  19           HA       PHE  19  -3.891  -2.131  -3.191
  161   1HB   PHE  19          2HB       PHE  19  -3.570  -3.220  -0.966
  162   2HB   PHE  19          1HB       PHE  19  -5.103  -2.531  -0.435
  163    HD1  PHE  19           1HD      PHE  19  -7.215  -3.100  -1.785
  164    HD2  PHE  19           2HD      PHE  19  -3.515  -5.245  -2.176
  165    HE1  PHE  19           1HE      PHE  19  -8.427  -5.005  -2.813
  166    HE2  PHE  19           2HE      PHE  19  -4.726  -7.149  -3.204
  167    HZ   PHE  19           HZ       PHE  19  -7.183  -7.029  -3.523
  168    H    CYS  20           H        CYS  20  -6.041  -0.498  -0.838
  169    HA   CYS  20           HA       CYS  20  -8.442  -0.743  -2.406
  170   1HB   CYS  20          2HB       CYS  20  -7.443   0.757  -0.035
  171   2HB   CYS  20          1HB       CYS  20  -8.870   1.421  -0.828
  172    HG   CYS  20           HG       CYS  20  -9.083  -0.765   1.048
  173    H    SER  21           H        SER  21  -5.807   1.583  -2.393
  174    HA   SER  21           HA       SER  21  -7.113   3.695  -3.852
  175   1HB   SER  21          2HB       SER  21  -4.303   2.837  -3.236
  176   2HB   SER  21          1HB       SER  21  -4.568   4.136  -4.394
  177    HG   SER  21           HG       SER  21  -4.395   4.564  -1.963
  178    H    GLU  22           H        GLU  22  -5.671   0.652  -4.855
  179    HA   GLU  22           HA       GLU  22  -5.825   1.526  -7.712
  180   1HB   GLU  22          2HB       GLU  22  -4.230  -0.317  -8.088
  181   2HB   GLU  22          1HB       GLU  22  -3.638   0.775  -6.839
  182   1HG   GLU  22          2HG       GLU  22  -4.279  -0.744  -5.090
  183   2HG   GLU  22          1HG       GLU  22  -5.177  -1.758  -6.218
  184    H    TYR  23           H        TYR  23  -7.068  -0.865  -5.402
  185    HA   TYR  23           HA       TYR  23  -8.251  -2.558  -7.477
  186   1HB   TYR  23          2HB       TYR  23  -8.029  -2.420  -4.513
  187   2HB   TYR  23          1HB       TYR  23  -9.418  -3.301  -5.150
  188    HD1  TYR  23           1HD      TYR  23  -9.127  -5.323  -6.494
  189    HD2  TYR  23           2HD      TYR  23  -5.744  -3.183  -4.938
  190    HE1  TYR  23           1HE      TYR  23  -7.666  -7.258  -7.011
  191    HE2  TYR  23           2HE      TYR  23  -4.282  -5.118  -5.455
  192    HH   TYR  23           HH       TYR  23  -5.249  -7.668  -7.455
  193    H    ARG  24           H        ARG  24  -9.402  -0.019  -5.253
  194    HA   ARG  24           HA       ARG  24 -12.164  -0.234  -5.488
  195   1HB   ARG  24          2HB       ARG  24 -10.278   2.109  -5.325
  196   2HB   ARG  24          1HB       ARG  24 -12.028   2.333  -5.325
  197   1HG   ARG  24          2HG       ARG  24 -12.270   0.916  -3.369
  198   2HG   ARG  24          1HG       ARG  24 -10.551   0.524  -3.398
  199   1HD   ARG  24          2HD       ARG  24  -9.971   2.491  -2.392
  200   2HD   ARG  24          1HD       ARG  24 -11.138   3.425  -3.348
  201    HE   ARG  24           HE       ARG  24 -12.916   2.603  -1.818
  202   1HH1  ARG  24          1HH2      ARG  24 -10.716   4.069  -0.222
  203   2HH1  ARG  24          2HH2      ARG  24 -10.574   3.021   1.149
  204   1HH2  ARG  24          1HH1      ARG  24 -12.271   0.394  -0.347
  205   2HH2  ARG  24          2HH1      ARG  24 -11.453   0.940   1.078
  206    HA   PRO  25           HA       PRO  25 -12.108   2.430  -9.556
  207   1HB   PRO  25          2HB       PRO  25  -9.800   2.243 -11.046
  208   2HB   PRO  25          1HB       PRO  25 -10.137   3.570  -9.914
  209   1HG   PRO  25          2HG       PRO  25  -8.528   1.086  -9.480
  210   2HG   PRO  25          1HG       PRO  25  -8.138   2.764  -9.058
  211   1HD   PRO  25          2HD       PRO  25  -9.030   1.099  -7.207
  212   2HD   PRO  25          1HD       PRO  25  -9.598   2.781  -7.233
  213    H    LYS  26           H        LYS  26 -10.376  -0.593  -9.162
  214    HA   LYS  26           HA       LYS  26 -11.142  -1.783 -11.710
  215   1HB   LYS  26          2HB       LYS  26  -9.291  -2.406  -9.962
  216   2HB   LYS  26          1HB       LYS  26 -10.607  -3.232  -9.118
  217   1HG   LYS  26          2HG       LYS  26 -10.152  -3.722 -12.054
  218   2HG   LYS  26          1HG       LYS  26  -9.187  -4.581 -10.853
  219   1HD   LYS  26          2HD       LYS  26 -11.412  -5.196  -9.733
  220   2HD   LYS  26          1HD       LYS  26 -12.186  -4.641 -11.218
  221   1HE   LYS  26          2HE       LYS  26 -11.879  -6.941 -11.642
  222   2HE   LYS  26          1HE       LYS  26 -10.431  -6.234 -12.386
  223   1HZ   LYS  26          1HZ       LYS  26  -9.222  -6.578 -10.341
  224   2HZ   LYS  26          2HZ       LYS  26  -9.879  -8.058 -10.858
  225   3HZ   LYS  26          3HZ       LYS  26 -10.604  -7.203  -9.581
  226    H    ILE  27           H        ILE  27 -12.289  -1.995  -8.352
  227    HA   ILE  27           HA       ILE  27 -14.486  -3.727  -8.639
  228    HB   ILE  27           HB       ILE  27 -14.073  -1.270  -6.898
  229   1HG1  ILE  27          2HG1      ILE  27 -12.317  -3.010  -6.686
  230   2HG1  ILE  27          1HG1      ILE  27 -13.275  -2.868  -5.218
  231   1HG2  ILE  27          1HG2      ILE  27 -16.421  -1.845  -6.831
  232   2HG2  ILE  27          2HG2      ILE  27 -15.677  -2.404  -5.333
  233   3HG2  ILE  27          3HG2      ILE  27 -16.044  -3.555  -6.618
  234   1HD1  ILE  27          1HD1      ILE  27 -13.566  -4.976  -7.371
  235   2HD1  ILE  27          2HD1      ILE  27 -14.669  -4.790  -6.007
  236   3HD1  ILE  27          3HD1      ILE  27 -12.981  -5.218  -5.725
  237    H    LYS  28           H        LYS  28 -14.230  -0.268  -9.366
  238    HA   LYS  28           HA       LYS  28 -17.044   0.240  -9.626
  239   1HB   LYS  28          2HB       LYS  28 -14.818   1.682 -11.087
  240   2HB   LYS  28          1HB       LYS  28 -16.344   2.343 -10.525
  241   1HG   LYS  28          2HG       LYS  28 -13.821   1.843  -9.037
  242   2HG   LYS  28          1HG       LYS  28 -14.931   3.183  -8.910
  243   1HD   LYS  28          2HD       LYS  28 -15.279   0.419  -7.686
  244   2HD   LYS  28          1HD       LYS  28 -14.974   1.925  -6.836
  245   1HE   LYS  28          2HE       LYS  28 -17.345   1.985  -8.622
  246   2HE   LYS  28          1HE       LYS  28 -17.481   0.916  -7.211
  247   1HZ   LYS  28          1HZ       LYS  28 -16.705   2.716  -5.805
  248   2HZ   LYS  28          2HZ       LYS  28 -18.100   3.196  -6.650
  249   3HZ   LYS  28          3HZ       LYS  28 -16.571   3.745  -7.147
  250    H    SER  29           H        SER  29 -14.614  -0.981 -11.874
  251    HA   SER  29           HA       SER  29 -16.347  -0.728 -14.228
  252   1HB   SER  29          2HB       SER  29 -13.774  -0.650 -14.041
  253   2HB   SER  29          1HB       SER  29 -13.854  -2.405 -13.916
  254    HG   SER  29           HG       SER  29 -14.437  -0.715 -16.061
  255    H    GLU  30           H        GLU  30 -15.896  -3.096 -11.714
  256    HA   GLU  30           HA       GLU  30 -17.307  -5.161 -13.370
  257   1HB   GLU  30          2HB       GLU  30 -15.381  -5.284 -11.040
  258   2HB   GLU  30          1HB       GLU  30 -16.275  -6.696 -11.605
  259   1HG   GLU  30          2HG       GLU  30 -14.721  -5.035 -13.568
  260   2HG   GLU  30          1HG       GLU  30 -13.885  -6.227 -12.573
  261    H    HIS  31           H        HIS  31 -17.607  -3.109 -10.591
  262    HA   HIS  31           HA       HIS  31 -19.974  -4.696  -9.642
  263   1HB   HIS  31          2HB       HIS  31 -18.227  -2.726  -8.115
  264   2HB   HIS  31          1HB       HIS  31 -19.471  -3.758  -7.437
  265    HD1  HIS  31           1HD      HIS  31 -16.255  -4.195  -9.417
  266    HD2  HIS  31           2HD      HIS  31 -18.475  -6.127  -6.469
  267    HE1  HIS  31           1HE      HIS  31 -14.881  -6.177  -8.672
  268    HA   PRO  32           HA       PRO  32 -21.637  -0.747 -11.262
  269   1HB   PRO  32          2HB       PRO  32 -23.973  -1.782 -12.244
  270   2HB   PRO  32          1HB       PRO  32 -22.448  -1.772 -13.149
  271   1HG   PRO  32          2HG       PRO  32 -23.808  -4.005 -11.774
  272   2HG   PRO  32          1HG       PRO  32 -22.749  -4.017 -13.187
  273   1HD   PRO  32          2HD       PRO  32 -22.023  -4.735 -10.589
  274   2HD   PRO  32          1HD       PRO  32 -20.912  -4.388 -11.929
  275    H    GLY  33           H        GLY  33 -24.242  -2.971 -10.189
  276   1HA   GLY  33          2HA       GLY  33 -25.713  -1.021  -8.769
  277   2HA   GLY  33          1HA       GLY  33 -25.829  -2.754  -8.470
  278    H    LEU  34           H        LEU  34 -22.829  -2.702  -7.855
  279    HA   LEU  34           HA       LEU  34 -22.877  -2.688  -5.038
  280   1HB   LEU  34          2HB       LEU  34 -21.166  -3.679  -6.457
  281   2HB   LEU  34          1HB       LEU  34 -20.669  -2.086  -7.019
  282    HG   LEU  34           HG       LEU  34 -20.668  -2.497  -4.087
  283   1HD1  LEU  34          1HD1      LEU  34 -18.364  -3.574  -5.682
  284   2HD1  LEU  34          2HD1      LEU  34 -19.705  -4.622  -5.221
  285   3HD1  LEU  34          3HD1      LEU  34 -18.739  -3.828  -3.978
  286   1HD2  LEU  34          1HD2      LEU  34 -19.763  -0.459  -4.596
  287   2HD2  LEU  34          2HD2      LEU  34 -19.203  -0.987  -6.180
  288   3HD2  LEU  34          3HD2      LEU  34 -18.293  -1.417  -4.732
  289    H    SER  35           H        SER  35 -23.984  -0.805  -4.265
  290    HA   SER  35           HA       SER  35 -23.468   1.903  -4.931
  291   1HB   SER  35          2HB       SER  35 -24.202   0.743  -2.224
  292   2HB   SER  35          1HB       SER  35 -24.566   2.368  -2.798
  293    HG   SER  35           HG       SER  35 -26.216   0.565  -2.990
  294    H    ILE  36           H        ILE  36 -22.456   3.491  -3.196
  295    HA   ILE  36           HA       ILE  36 -19.649   3.118  -3.070
  296    HB   ILE  36           HB       ILE  36 -21.634   4.823  -1.547
  297   1HG1  ILE  36          2HG1      ILE  36 -21.299   5.294  -3.947
  298   2HG1  ILE  36          1HG1      ILE  36 -20.684   6.613  -2.956
  299   1HG2  ILE  36          1HG2      ILE  36 -19.893   4.783   0.029
  300   2HG2  ILE  36          2HG2      ILE  36 -19.477   6.184  -0.960
  301   3HG2  ILE  36          3HG2      ILE  36 -18.643   4.650  -1.209
  302   1HD1  ILE  36          1HD1      ILE  36 -18.763   6.396  -4.134
  303   2HD1  ILE  36          2HD1      ILE  36 -19.242   4.825  -4.777
  304   3HD1  ILE  36          3HD1      ILE  36 -18.486   4.933  -3.188
  305    H    GLY  37           H        GLY  37 -21.893   3.005  -0.278
  306   1HA   GLY  37          2HA       GLY  37 -20.151   2.045   1.668
  307   2HA   GLY  37          1HA       GLY  37 -21.870   1.661   1.650
  308    H    ASP  38           H        ASP  38 -21.857   0.170  -0.811
  309    HA   ASP  38           HA       ASP  38 -21.123  -2.443   0.157
  310   1HB   ASP  38          2HB       ASP  38 -21.873  -1.276  -2.537
  311   2HB   ASP  38          1HB       ASP  38 -21.593  -3.003  -2.304
  312    H    THR  39           H        THR  39 -19.546  -0.099  -1.975
  313    HA   THR  39           HA       THR  39 -17.431  -1.737  -2.970
  314    HB   THR  39           HB       THR  39 -16.842   1.101  -2.371
  315    HG1  THR  39           1HG      THR  39 -18.368   1.762  -3.979
  316   1HG2  THR  39          1HG2      THR  39 -17.040   0.081  -5.134
  317   2HG2  THR  39          2HG2      THR  39 -15.876  -0.750  -4.102
  318   3HG2  THR  39          3HG2      THR  39 -15.744   0.990  -4.357
  319    H    ALA  40           H        ALA  40 -17.735   0.133   0.032
  320    HA   ALA  40           HA       ALA  40 -14.975  -0.292   0.871
  321   1HB   ALA  40          1HB       ALA  40 -17.458   0.477   2.441
  322   2HB   ALA  40          2HB       ALA  40 -16.451   1.612   1.542
  323   3HB   ALA  40          3HB       ALA  40 -15.788   0.755   2.933
  324    H    LYS  41           H        LYS  41 -18.118  -1.647   1.907
  325    HA   LYS  41           HA       LYS  41 -16.899  -3.589   3.684
  326   1HB   LYS  41          2HB       LYS  41 -19.211  -4.367   3.940
  327   2HB   LYS  41          1HB       LYS  41 -19.150  -2.608   3.991
  328   1HG   LYS  41          2HG       LYS  41 -19.670  -2.673   1.483
  329   2HG   LYS  41          1HG       LYS  41 -20.051  -4.374   1.711
  330   1HD   LYS  41          2HD       LYS  41 -22.101  -3.063   1.894
  331   2HD   LYS  41          1HD       LYS  41 -21.698  -3.744   3.468
  332   1HE   LYS  41          2HE       LYS  41 -20.379  -1.209   3.311
  333   2HE   LYS  41          1HE       LYS  41 -22.053  -0.973   2.778
  334   1HZ   LYS  41          1HZ       LYS  41 -22.768  -2.293   4.717
  335   2HZ   LYS  41          2HZ       LYS  41 -21.978  -0.856   5.162
  336   3HZ   LYS  41          3HZ       LYS  41 -21.162  -2.343   5.259
  337    H    LYS  42           H        LYS  42 -17.357  -3.554   0.247
  338    HA   LYS  42           HA       LYS  42 -17.555  -6.478  -0.032
  339   1HB   LYS  42          2HB       LYS  42 -18.647  -4.895  -1.596
  340   2HB   LYS  42          1HB       LYS  42 -17.072  -4.227  -2.015
  341   1HG   LYS  42          2HG       LYS  42 -17.901  -5.871  -3.694
  342   2HG   LYS  42          1HG       LYS  42 -16.370  -6.364  -2.963
  343   1HD   LYS  42          2HD       LYS  42 -17.301  -8.181  -1.943
  344   2HD   LYS  42          1HD       LYS  42 -18.779  -7.312  -1.531
  345   1HE   LYS  42          2HE       LYS  42 -19.853  -8.011  -3.421
  346   2HE   LYS  42          1HE       LYS  42 -18.406  -7.812  -4.429
  347   1HZ   LYS  42          1HZ       LYS  42 -17.457  -9.781  -3.392
  348   2HZ   LYS  42          2HZ       LYS  42 -18.940 -10.158  -4.132
  349   3HZ   LYS  42          3HZ       LYS  42 -18.850  -9.982  -2.445
  350    H    LEU  43           H        LEU  43 -15.161  -4.036  -1.125
  351    HA   LEU  43           HA       LEU  43 -13.062  -5.709  -1.886
  352   1HB   LEU  43          2HB       LEU  43 -13.233  -2.994  -0.600
  353   2HB   LEU  43          1HB       LEU  43 -11.659  -3.690  -0.982
  354    HG   LEU  43           HG       LEU  43 -13.833  -3.634  -3.062
  355   1HD1  LEU  43          1HD1      LEU  43 -13.017  -1.463  -3.829
  356   2HD1  LEU  43          2HD1      LEU  43 -11.838  -1.413  -2.520
  357   3HD1  LEU  43          3HD1      LEU  43 -13.560  -1.320  -2.157
  358   1HD2  LEU  43          1HD2      LEU  43 -11.510  -3.239  -4.352
  359   2HD2  LEU  43          2HD2      LEU  43 -12.072  -4.853  -3.919
  360   3HD2  LEU  43          3HD2      LEU  43 -10.879  -4.035  -2.910
  361    H    GLY  44           H        GLY  44 -14.079  -4.892   1.390
  362   1HA   GLY  44          2HA       GLY  44 -11.732  -5.744   2.787
  363   2HA   GLY  44          1HA       GLY  44 -13.352  -5.674   3.481
  364    H    GLU  45           H        GLU  45 -14.609  -7.491   1.664
  365    HA   GLU  45           HA       GLU  45 -14.318  -9.981   2.913
  366   1HB   GLU  45          2HB       GLU  45 -15.952  -8.939   1.073
  367   2HB   GLU  45          1HB       GLU  45 -14.923  -9.871  -0.016
  368   1HG   GLU  45          2HG       GLU  45 -16.709 -11.335   0.601
  369   2HG   GLU  45          1HG       GLU  45 -15.307 -11.861   1.535
  370    H    MET  46           H        MET  46 -12.463  -8.690   0.179
  371    HA   MET  46           HA       MET  46 -11.041 -11.233  -0.265
  372   1HB   MET  46          2HB       MET  46 -10.813  -8.427  -1.395
  373   2HB   MET  46          1HB       MET  46  -9.878  -9.803  -1.981
  374   1HG   MET  46          2HG       MET  46 -11.951 -10.995  -2.543
  375   2HG   MET  46          1HG       MET  46 -12.906  -9.649  -1.922
  376   1HE   MET  46          1HE       MET  46 -13.642 -10.642  -4.401
  377   2HE   MET  46          2HE       MET  46 -12.145 -11.174  -5.163
  378   3HE   MET  46          3HE       MET  46 -13.089  -9.882  -5.901
  379    H    TRP  47           H        TRP  47 -10.312  -7.987   1.034
  380    HA   TRP  47           HA       TRP  47  -7.534  -8.254   1.461
  381   1HB   TRP  47          2HB       TRP  47  -8.934  -6.203   1.726
  382   2HB   TRP  47          1HB       TRP  47  -9.580  -6.872   3.225
  383    HD1  TRP  47           HD       TRP  47  -8.315  -6.234   5.331
  384    HE1  TRP  47           1HE      TRP  47  -5.945  -5.378   5.878
  385    HE3  TRP  47           3HE      TRP  47  -6.229  -6.372   0.671
  386    HZ2  TRP  47           2HZ      TRP  47  -3.488  -4.825   4.519
  387    HZ3  TRP  47           3HZ      TRP  47  -3.876  -5.676   0.326
  388    HH2  TRP  47           HH       TRP  47  -2.503  -4.904   2.241
  389    H    SER  48           H        SER  48 -10.159  -9.830   3.166
  390    HA   SER  48           HA       SER  48  -8.437 -10.535   5.472
  391   1HB   SER  48          2HB       SER  48 -10.915  -9.850   5.519
  392   2HB   SER  48          1HB       SER  48 -11.255 -11.436   4.833
  393    HG   SER  48           HG       SER  48 -10.421 -12.387   6.639
  394    H    GLU  49           H        GLU  49  -9.899 -12.008   2.602
  395    HA   GLU  49           HA       GLU  49  -9.389 -14.760   3.222
  396   1HB   GLU  49          2HB       GLU  49  -9.726 -13.128   0.702
  397   2HB   GLU  49          1HB       GLU  49  -9.436 -14.867   0.624
  398   1HG   GLU  49          2HG       GLU  49 -11.621 -13.707   2.355
  399   2HG   GLU  49          1HG       GLU  49 -11.895 -14.094   0.656
  400    H    GLN  50           H        GLN  50  -7.387 -12.241   1.725
  401    HA   GLN  50           HA       GLN  50  -5.225 -13.896   0.834
  402   1HB   GLN  50          2HB       GLN  50  -3.981 -11.730   0.885
  403   2HB   GLN  50          1HB       GLN  50  -5.569 -11.569   0.139
  404   1HG   GLN  50          2HG       GLN  50  -6.479 -10.481   2.021
  405   2HG   GLN  50          1HG       GLN  50  -5.190 -11.045   3.084
  406   1HE2  GLN  50          1HE2      GLN  50  -5.379  -9.178  -0.013
  407   2HE2  GLN  50          2HE2      GLN  50  -4.264  -7.993   0.471
  408    H    SER  51           H        SER  51  -3.226 -14.384   1.857
  409    HA   SER  51           HA       SER  51  -3.358 -14.511   4.831
  410   1HB   SER  51          2HB       SER  51  -1.687 -16.259   4.534
  411   2HB   SER  51          1HB       SER  51  -2.974 -16.527   3.361
  412    HG   SER  51           HG       SER  51  -1.203 -16.606   2.134
  413    H    ALA  52           H        ALA  52  -0.428 -14.764   5.047
  414    HA   ALA  52           HA       ALA  52   0.245 -11.909   5.191
  415   1HB   ALA  52          1HB       ALA  52   2.344 -12.891   6.201
  416   2HB   ALA  52          2HB       ALA  52   1.690 -14.492   5.859
  417   3HB   ALA  52          3HB       ALA  52   0.858 -13.423   6.987
  418    H    LYS  53           H        LYS  53  -0.108 -12.282   2.544
  419    HA   LYS  53           HA       LYS  53   2.678 -12.379   1.445
  420   1HB   LYS  53          2HB       LYS  53   0.145 -13.757   0.547
  421   2HB   LYS  53          1HB       LYS  53   1.464 -13.458  -0.585
  422   1HG   LYS  53          2HG       LYS  53   3.014 -14.628   1.004
  423   2HG   LYS  53          1HG       LYS  53   1.615 -15.043   1.994
  424   1HD   LYS  53          2HD       LYS  53   0.682 -16.418   0.308
  425   2HD   LYS  53          1HD       LYS  53   1.716 -15.727  -0.944
  426   1HE   LYS  53          2HE       LYS  53   3.696 -16.680   0.443
  427   2HE   LYS  53          1HE       LYS  53   2.461 -17.682   1.233
  428   1HZ   LYS  53          1HZ       LYS  53   1.687 -18.382  -0.952
  429   2HZ   LYS  53          2HZ       LYS  53   3.323 -18.788  -0.738
  430   3HZ   LYS  53          3HZ       LYS  53   2.894 -17.454  -1.700
  431    H    ASP  54           H        ASP  54  -0.711 -11.432   0.810
  432    HA   ASP  54           HA       ASP  54  -0.171  -9.613  -1.334
  433   1HB   ASP  54          2HB       ASP  54  -2.368 -10.673  -0.472
  434   2HB   ASP  54          1HB       ASP  54  -2.398  -9.347   0.690
  435    H    LYS  55           H        LYS  55  -0.081  -9.217   2.183
  436    HA   LYS  55           HA       LYS  55   0.395  -6.292   1.892
  437   1HB   LYS  55          2HB       LYS  55  -1.257  -7.193   3.518
  438   2HB   LYS  55          1HB       LYS  55   0.043  -8.056   4.337
  439   1HG   LYS  55          2HG       LYS  55   1.008  -6.091   5.146
  440   2HG   LYS  55          1HG       LYS  55   0.280  -5.094   3.886
  441   1HD   LYS  55          2HD       LYS  55  -1.138  -4.527   5.600
  442   2HD   LYS  55          1HD       LYS  55  -1.966  -5.992   5.069
  443   1HE   LYS  55          2HE       LYS  55  -0.535  -7.276   6.744
  444   2HE   LYS  55          1HE       LYS  55  -0.041  -5.700   7.393
  445   1HZ   LYS  55          1HZ       LYS  55  -2.318  -5.114   7.750
  446   2HZ   LYS  55          2HZ       LYS  55  -2.052  -6.623   8.483
  447   3HZ   LYS  55          3HZ       LYS  55  -2.866  -6.530   6.994
  448    H    GLN  56           H        GLN  56   2.415  -8.579   1.268
  449    HA   GLN  56           HA       GLN  56   4.491  -8.029   3.310
  450   1HB   GLN  56          2HB       GLN  56   3.903 -10.050   1.242
  451   2HB   GLN  56          1HB       GLN  56   5.616  -9.671   1.418
  452   1HG   GLN  56          2HG       GLN  56   5.091  -9.896   3.995
  453   2HG   GLN  56          1HG       GLN  56   3.720 -10.850   3.423
  454   1HE2  GLN  56          1HE2      GLN  56   7.233 -10.785   3.703
  455   2HE2  GLN  56          2HE2      GLN  56   7.490 -12.373   3.160
  456    HA   PRO  57           HA       PRO  57   6.764  -6.258  -0.442
  457   1HB   PRO  57          2HB       PRO  57   5.658  -6.296  -2.924
  458   2HB   PRO  57          1HB       PRO  57   6.592  -7.655  -2.269
  459   1HG   PRO  57          2HG       PRO  57   3.667  -7.326  -2.541
  460   2HG   PRO  57          1HG       PRO  57   4.655  -8.784  -2.695
  461   1HD   PRO  57          2HD       PRO  57   3.135  -8.110  -0.488
  462   2HD   PRO  57          1HD       PRO  57   4.496  -9.249  -0.488
  463    H    TYR  58           H        TYR  58   3.269  -5.764  -0.517
  464    HA   TYR  58           HA       TYR  58   3.460  -3.045  -1.604
  465   1HB   TYR  58          2HB       TYR  58   1.550  -5.079  -1.393
  466   2HB   TYR  58          1HB       TYR  58   0.945  -3.815  -0.324
  467    HD1  TYR  58           1HD      TYR  58   2.561  -4.118  -3.704
  468    HD2  TYR  58           2HD      TYR  58  -0.405  -2.177  -1.277
  469    HE1  TYR  58           1HE      TYR  58   1.798  -2.819  -5.675
  470    HE2  TYR  58           2HE      TYR  58  -1.167  -0.880  -3.248
  471    HH   TYR  58           HH       TYR  58   0.330  -0.216  -5.702
  472    H    GLU  59           H        GLU  59   3.453  -4.459   1.598
  473    HA   GLU  59           HA       GLU  59   2.424  -2.170   3.029
  474   1HB   GLU  59          2HB       GLU  59   3.247  -3.387   4.979
  475   2HB   GLU  59          1HB       GLU  59   2.540  -4.521   3.842
  476   1HG   GLU  59          2HG       GLU  59   4.498  -5.665   4.131
  477   2HG   GLU  59          1HG       GLU  59   5.131  -4.496   2.975
  478    H    GLN  60           H        GLN  60   5.614  -2.977   1.781
  479    HA   GLN  60           HA       GLN  60   7.041  -1.001   3.393
  480   1HB   GLN  60          2HB       GLN  60   8.913  -1.649   1.918
  481   2HB   GLN  60          1HB       GLN  60   8.056  -3.075   2.497
  482   1HG   GLN  60          2HG       GLN  60   6.678  -2.473   0.184
  483   2HG   GLN  60          1HG       GLN  60   8.329  -2.032  -0.245
  484   1HE2  GLN  60          1HE2      GLN  60   9.000  -3.824  -1.490
  485   2HE2  GLN  60          2HE2      GLN  60   8.967  -5.428  -0.936
  486    H    LYS  61           H        LYS  61   5.212  -0.932   0.435
  487    HA   LYS  61           HA       LYS  61   6.442   1.306  -0.876
  488   1HB   LYS  61          2HB       LYS  61   4.861  -0.243  -1.946
  489   2HB   LYS  61          1HB       LYS  61   3.587   0.257  -0.834
  490   1HG   LYS  61          2HG       LYS  61   3.516   2.464  -1.767
  491   2HG   LYS  61          1HG       LYS  61   4.993   2.189  -2.694
  492   1HD   LYS  61          2HD       LYS  61   3.634   0.212  -3.756
  493   2HD   LYS  61          1HD       LYS  61   2.230   1.106  -3.171
  494   1HE   LYS  61          2HE       LYS  61   2.817   3.049  -4.470
  495   2HE   LYS  61          1HE       LYS  61   4.403   2.365  -4.878
  496   1HZ   LYS  61          1HZ       LYS  61   3.276   0.504  -5.948
  497   2HZ   LYS  61          2HZ       LYS  61   2.831   1.976  -6.670
  498   3HZ   LYS  61          3HZ       LYS  61   1.767   1.196  -5.600
  499    H    ALA  62           H        ALA  62   3.706   1.123   1.424
  500    HA   ALA  62           HA       ALA  62   3.402   4.023   1.535
  501   1HB   ALA  62          1HB       ALA  62   2.270   1.599   2.895
  502   2HB   ALA  62          2HB       ALA  62   1.434   2.845   1.966
  503   3HB   ALA  62          3HB       ALA  62   1.985   3.187   3.605
  504    H    ALA  63           H        ALA  63   5.547   1.779   3.021
  505    HA   ALA  63           HA       ALA  63   5.939   3.249   5.517
  506   1HB   ALA  63          1HB       ALA  63   7.667   1.189   4.103
  507   2HB   ALA  63          2HB       ALA  63   6.316   0.792   5.166
  508   3HB   ALA  63          3HB       ALA  63   7.735   1.616   5.814
  509    H    LYS  64           H        LYS  64   6.750   3.966   2.301
  510    HA   LYS  64           HA       LYS  64   9.313   5.312   3.015
  511   1HB   LYS  64          2HB       LYS  64   7.900   4.389   0.512
  512   2HB   LYS  64          1HB       LYS  64   9.250   5.513   0.430
  513   1HG   LYS  64          2HG       LYS  64   9.337   2.810   1.794
  514   2HG   LYS  64          1HG       LYS  64   9.956   3.128   0.172
  515   1HD   LYS  64          2HD       LYS  64  11.290   5.056   1.395
  516   2HD   LYS  64          1HD       LYS  64  11.026   4.047   2.818
  517   1HE   LYS  64          2HE       LYS  64  12.052   2.768   0.294
  518   2HE   LYS  64          1HE       LYS  64  13.176   3.642   1.354
  519   1HZ   LYS  64          1HZ       LYS  64  11.289   1.511   2.213
  520   2HZ   LYS  64          2HZ       LYS  64  12.345   2.366   3.233
  521   3HZ   LYS  64          3HZ       LYS  64  12.966   1.327   2.041
  522    H    LEU  65           H        LEU  65   5.999   5.827   2.078
  523    HA   LEU  65           HA       LEU  65   6.377   8.693   1.457
  524   1HB   LEU  65          2HB       LEU  65   4.163   6.656   1.383
  525   2HB   LEU  65          1HB       LEU  65   3.761   8.372   1.321
  526    HG   LEU  65           HG       LEU  65   5.637   8.439  -0.529
  527   1HD1  LEU  65          1HD1      LEU  65   6.501   6.259  -0.509
  528   2HD1  LEU  65          2HD1      LEU  65   5.354   6.195  -1.847
  529   3HD1  LEU  65          3HD1      LEU  65   4.912   5.529  -0.274
  530   1HD2  LEU  65          1HD2      LEU  65   3.211   8.915  -0.850
  531   2HD2  LEU  65          2HD2      LEU  65   2.921   7.188  -1.056
  532   3HD2  LEU  65          3HD2      LEU  65   3.908   8.061  -2.227
  533    H    LYS  66           H        LYS  66   5.673   6.675   4.188
  534    HA   LYS  66           HA       LYS  66   4.097   8.583   5.718
  535   1HB   LYS  66          2HB       LYS  66   4.115   6.098   6.023
  536   2HB   LYS  66          1HB       LYS  66   5.790   6.204   6.563
  537   1HG   LYS  66          2HG       LYS  66   4.849   6.369   8.633
  538   2HG   LYS  66          1HG       LYS  66   4.640   8.062   8.184
  539   1HD   LYS  66          2HD       LYS  66   2.378   7.813   7.749
  540   2HD   LYS  66          1HD       LYS  66   2.537   6.102   7.348
  541   1HE   LYS  66          2HE       LYS  66   3.304   6.073   9.974
  542   2HE   LYS  66          1HE       LYS  66   2.095   7.373   9.983
  543   1HZ   LYS  66          1HZ       LYS  66   1.755   4.633   8.883
  544   2HZ   LYS  66          2HZ       LYS  66   0.629   5.890   8.681
  545   3HZ   LYS  66          3HZ       LYS  66   0.965   5.287  10.234
  546    H    GLU  67           H        GLU  67   7.533   7.750   5.418
  547    HA   GLU  67           HA       GLU  67   8.486   9.336   7.631
  548   1HB   GLU  67          2HB       GLU  67   9.707   8.286   5.063
  549   2HB   GLU  67          1HB       GLU  67  10.657   9.117   6.295
  550   1HG   GLU  67          2HG       GLU  67   9.761   7.433   7.971
  551   2HG   GLU  67          1HG       GLU  67   9.106   6.535   6.600
  552    H    LYS  68           H        LYS  68   8.619   9.990   4.102
  553    HA   LYS  68           HA       LYS  68   9.491  12.686   4.265
  554   1HB   LYS  68          2HB       LYS  68   8.036  10.956   2.301
  555   2HB   LYS  68          1HB       LYS  68   8.125  12.687   1.973
  556   1HG   LYS  68          2HG       LYS  68  10.036  11.648   0.920
  557   2HG   LYS  68          1HG       LYS  68  10.620  12.541   2.325
  558   1HD   LYS  68          2HD       LYS  68  10.683  10.491   3.650
  559   2HD   LYS  68          1HD       LYS  68   9.994   9.574   2.310
  560   1HE   LYS  68          2HE       LYS  68  12.311   9.155   2.094
  561   2HE   LYS  68          1HE       LYS  68  12.060  10.503   0.967
  562   1HZ   LYS  68          1HZ       LYS  68  12.604  12.047   2.749
  563   2HZ   LYS  68          2HZ       LYS  68  13.894  10.974   2.479
  564   3HZ   LYS  68          3HZ       LYS  68  12.870  10.757   3.817
  565    H    TYR  69           H        TYR  69   6.296  11.295   4.720
  566    HA   TYR  69           HA       TYR  69   4.801  13.779   4.427
  567   1HB   TYR  69          2HB       TYR  69   3.794  11.566   4.117
  568   2HB   TYR  69          1HB       TYR  69   4.227  11.105   5.762
  569    HD1  TYR  69           1HD      TYR  69   2.419  11.072   7.221
  570    HD2  TYR  69           2HD      TYR  69   2.562  14.070   4.151
  571    HE1  TYR  69           1HE      TYR  69   0.285  12.027   8.052
  572    HE2  TYR  69           2HE      TYR  69   0.429  15.023   4.979
  573    HH   TYR  69           HH       TYR  69  -0.770  14.951   7.463
  574    H    GLU  70           H        GLU  70   5.242  11.775   7.333
  575    HA   GLU  70           HA       GLU  70   4.600  13.734   9.266
  576   1HB   GLU  70          2HB       GLU  70   6.405  11.304   9.293
  577   2HB   GLU  70          1HB       GLU  70   6.008  12.202  10.758
  578   1HG   GLU  70          2HG       GLU  70   3.557  11.887  10.148
  579   2HG   GLU  70          1HG       GLU  70   4.100  10.751   8.911
  580    H    LYS  71           H        LYS  71   7.542  13.387   7.405
  581    HA   LYS  71           HA       LYS  71   9.086  15.125   9.250
  582   1HB   LYS  71          2HB       LYS  71   9.693  13.582   6.718
  583   2HB   LYS  71          1HB       LYS  71  10.888  14.588   7.536
  584   1HG   LYS  71          2HG       LYS  71  10.454  13.264   9.635
  585   2HG   LYS  71          1HG       LYS  71   9.447  12.179   8.677
  586   1HD   LYS  71          2HD       LYS  71  11.410  11.781   7.168
  587   2HD   LYS  71          1HD       LYS  71  12.397  12.742   8.270
  588   1HE   LYS  71          2HE       LYS  71  10.798  10.367   9.253
  589   2HE   LYS  71          1HE       LYS  71  12.454  10.195   8.640
  590   1HZ   LYS  71          1HZ       LYS  71  11.594  12.077  10.775
  591   2HZ   LYS  71          2HZ       LYS  71  13.176  11.903  10.182
  592   3HZ   LYS  71          3HZ       LYS  71  12.441  10.630  11.031
  593    H    ASP  72           H        ASP  72   7.243  15.382   6.296
  594    HA   ASP  72           HA       ASP  72   8.478  18.052   5.721
  595   1HB   ASP  72          2HB       ASP  72   8.488  16.254   3.974
  596   2HB   ASP  72          1HB       ASP  72   6.724  16.274   4.000
  597    H    ILE  73           H        ILE  73   5.410  16.403   6.386
  598    HA   ILE  73           HA       ILE  73   3.690  18.640   5.811
  599    HB   ILE  73           HB       ILE  73   3.090  16.190   6.022
  600   1HG1  ILE  73          2HG1      ILE  73   0.984  16.818   7.549
  601   2HG1  ILE  73          1HG1      ILE  73   1.621  18.446   7.305
  602   1HG2  ILE  73          1HG2      ILE  73   2.915  15.118   8.088
  603   2HG2  ILE  73          2HG2      ILE  73   2.860  16.636   8.985
  604   3HG2  ILE  73          3HG2      ILE  73   4.383  16.069   8.303
  605   1HD1  ILE  73          1HD1      ILE  73   1.151  18.441   5.061
  606   2HD1  ILE  73          2HD1      ILE  73  -0.060  17.256   5.552
  607   3HD1  ILE  73          3HD1      ILE  73   1.484  16.717   4.890
  608    H    ALA  74           H        ALA  74   5.497  17.657   8.679
  609    HA   ALA  74           HA       ALA  74   4.299  19.345  10.635
  610   1HB   ALA  74          1HB       ALA  74   5.887  17.576  11.166
  611   2HB   ALA  74          2HB       ALA  74   6.556  19.106  11.729
  612   3HB   ALA  74          3HB       ALA  74   7.150  18.381  10.235
  613    H    ALA  75           H        ALA  75   6.772  20.001   8.187
  614    HA   ALA  75           HA       ALA  75   7.124  22.792   9.118
  615   1HB   ALA  75          1HB       ALA  75   8.874  22.789   7.382
  616   2HB   ALA  75          2HB       ALA  75   8.302  21.227   6.798
  617   3HB   ALA  75          3HB       ALA  75   9.024  21.358   8.402
  618    H    TYR  76           H        TYR  76   5.305  20.996   6.749
  619    HA   TYR  76           HA       TYR  76   4.901  23.145   4.839
  620   1HB   TYR  76          2HB       TYR  76   4.674  20.686   4.411
  621   2HB   TYR  76          1HB       TYR  76   3.242  20.673   5.440
  622    HD1  TYR  76           1HD      TYR  76   4.688  22.216   2.364
  623    HD2  TYR  76           2HD      TYR  76   1.127  21.317   4.591
  624    HE1  TYR  76           1HE      TYR  76   3.302  22.951   0.444
  625    HE2  TYR  76           2HE      TYR  76  -0.260  22.051   2.670
  626    HH   TYR  76           HH       TYR  76   0.438  22.181  -0.154
  627    H    ARG  77           H        ARG  77   3.044  21.882   7.611
  628    HA   ARG  77           HA       ARG  77   0.989  23.995   7.271
  629   1HB   ARG  77          2HB       ARG  77   1.358  21.508   8.930
  630   2HB   ARG  77          1HB       ARG  77   0.086  22.663   9.327
  631   1HG   ARG  77          2HG       ARG  77  -1.002  22.358   7.249
  632   2HG   ARG  77          1HG       ARG  77   0.416  21.603   6.521
  633   1HD   ARG  77          2HD       ARG  77   0.145  19.703   8.187
  634   2HD   ARG  77          1HD       ARG  77  -1.418  20.418   8.627
  635    HE   ARG  77           HE       ARG  77  -0.909  19.944   5.743
  636   1HH1  ARG  77          1HH2      ARG  77  -1.350  17.457   7.551
  637   2HH1  ARG  77          2HH2      ARG  77  -3.045  17.199   7.305
  638   1HH2  ARG  77          1HH1      ARG  77  -3.587  20.327   5.909
  639   2HH2  ARG  77          2HH1      ARG  77  -4.311  18.824   6.375
  640    H    ALA  78           H        ALA  78   4.000  24.005   8.619
  641    HA   ALA  78           HA       ALA  78   5.039  25.293  10.296
  642   1HB   ALA  78          1HB       ALA  78   3.495  26.924   8.974
  643   2HB   ALA  78          2HB       ALA  78   4.110  27.454  10.541
  644   3HB   ALA  78          3HB       ALA  78   2.457  26.855  10.400
  645    H    LYS  79           H        LYS  79   4.506  23.158  11.557
  646    HA   LYS  79           HA       LYS  79   3.157  23.945  14.083
  647   1HB   LYS  79          2HB       LYS  79   1.902  21.807  14.056
  648   2HB   LYS  79          1HB       LYS  79   1.477  22.822  12.681
  649   1HG   LYS  79          2HG       LYS  79   3.475  21.460  11.548
  650   2HG   LYS  79          1HG       LYS  79   3.010  20.261  12.752
  651   1HD   LYS  79          2HD       LYS  79   0.894  21.586  11.081
  652   2HD   LYS  79          1HD       LYS  79   1.828  20.249  10.409
  653   1HE   LYS  79          2HE       LYS  79   0.649  19.922  13.151
  654   2HE   LYS  79          1HE       LYS  79  -0.411  19.747  11.736
  655   1HZ   LYS  79          1HZ       LYS  79   1.026  18.126  10.807
  656   2HZ   LYS  79          2HZ       LYS  79   0.774  17.664  12.423
  657   3HZ   LYS  79          3HZ       LYS  79   2.230  18.412  11.966
  Start of MODEL   27
    1   1H    MET   1          1HT       MET   1 -13.490  21.697  -2.483
    2   2H    MET   1          2HT       MET   1 -13.374  22.219  -0.870
    3   3H    MET   1          3HT       MET   1 -14.693  21.269  -1.367
    4    HA   MET   1           HA       MET   1 -13.107  19.918  -0.126
    5   1HB   MET   1          2HB       MET   1 -14.518  19.223  -2.182
    6   2HB   MET   1          1HB       MET   1 -12.997  19.266  -3.075
    7   1HG   MET   1          2HG       MET   1 -13.188  17.018  -2.351
    8   2HG   MET   1          1HG       MET   1 -12.066  17.753  -1.206
    9   1HE   MET   1          1HE       MET   1 -13.198  15.158  -0.423
   10   2HE   MET   1          2HE       MET   1 -14.634  15.314  -1.430
   11   3HE   MET   1          3HE       MET   1 -14.807  15.062   0.305
   12    H    LYS   2           H        LYS   2 -11.004  20.013   0.530
   13    HA   LYS   2           HA       LYS   2  -8.931  21.030  -1.369
   14   1HB   LYS   2          2HB       LYS   2  -9.307  20.919   1.615
   15   2HB   LYS   2          1HB       LYS   2  -7.689  21.129   0.946
   16   1HG   LYS   2          2HG       LYS   2  -8.305  23.345   1.067
   17   2HG   LYS   2          1HG       LYS   2  -8.961  22.970  -0.526
   18   1HD   LYS   2          2HD       LYS   2 -10.748  24.033   0.613
   19   2HD   LYS   2          1HD       LYS   2 -11.124  22.312   0.714
   20   1HE   LYS   2          2HE       LYS   2  -9.560  22.694   2.959
   21   2HE   LYS   2          1HE       LYS   2 -10.473  24.213   2.857
   22   1HZ   LYS   2          1HZ       LYS   2 -11.769  22.539   4.017
   23   2HZ   LYS   2          2HZ       LYS   2 -11.621  21.474   2.700
   24   3HZ   LYS   2          3HZ       LYS   2 -12.502  22.918   2.535
   25    H    LYS   3           H        LYS   3  -6.676  19.968  -0.847
   26    HA   LYS   3           HA       LYS   3  -6.633  17.233   0.090
   27   1HB   LYS   3          2HB       LYS   3  -7.863  17.271  -2.190
   28   2HB   LYS   3          1HB       LYS   3  -6.275  17.600  -2.884
   29   1HG   LYS   3          2HG       LYS   3  -5.383  15.539  -2.057
   30   2HG   LYS   3          1HG       LYS   3  -6.790  15.267  -1.028
   31   1HD   LYS   3          2HD       LYS   3  -8.185  15.215  -3.158
   32   2HD   LYS   3          1HD       LYS   3  -6.663  15.159  -4.048
   33   1HE   LYS   3          2HE       LYS   3  -6.037  13.071  -3.004
   34   2HE   LYS   3          1HE       LYS   3  -7.405  13.169  -1.877
   35   1HZ   LYS   3          1HZ       LYS   3  -8.917  13.157  -3.762
   36   2HZ   LYS   3          2HZ       LYS   3  -7.943  11.766  -3.780
   37   3HZ   LYS   3          3HZ       LYS   3  -7.613  13.050  -4.841
   38    H    LYS   4           H        LYS   4  -5.095  19.727   0.398
   39    HA   LYS   4           HA       LYS   4  -2.851  20.451   0.495
   40   1HB   LYS   4          2HB       LYS   4  -3.030  17.584   0.885
   41   2HB   LYS   4          1HB       LYS   4  -1.489  17.989   0.137
   42   1HG   LYS   4          2HG       LYS   4  -0.884  19.447   1.910
   43   2HG   LYS   4          1HG       LYS   4  -2.534  19.505   2.531
   44   1HD   LYS   4          2HD       LYS   4  -2.282  16.955   2.888
   45   2HD   LYS   4          1HD       LYS   4  -0.552  17.236   2.689
   46   1HE   LYS   4          2HE       LYS   4  -0.393  18.494   4.651
   47   2HE   LYS   4          1HE       LYS   4  -2.107  18.956   4.611
   48   1HZ   LYS   4          1HZ       LYS   4  -2.724  16.681   5.043
   49   2HZ   LYS   4          2HZ       LYS   4  -1.659  17.206   6.258
   50   3HZ   LYS   4          3HZ       LYS   4  -1.101  16.188   5.018
   51    H    ASP   5           H        ASP   5  -0.558  19.455  -0.797
   52    HA   ASP   5           HA       ASP   5  -1.233  19.647  -3.712
   53   1HB   ASP   5          2HB       ASP   5   0.153  21.500  -1.940
   54   2HB   ASP   5          1HB       ASP   5   1.202  20.999  -3.264
   55    HA   PRO   6           HA       PRO   6   1.823  16.532  -4.338
   56   1HB   PRO   6          2HB       PRO   6   3.487  17.467  -6.301
   57   2HB   PRO   6          1HB       PRO   6   1.823  16.935  -6.616
   58   1HG   PRO   6          2HG       PRO   6   2.901  19.693  -6.308
   59   2HG   PRO   6          1HG       PRO   6   1.679  19.078  -7.432
   60   1HD   PRO   6          2HD       PRO   6   1.064  20.471  -5.181
   61   2HD   PRO   6          1HD       PRO   6  -0.013  19.250  -5.896
   62    H    ASN   7           H        ASN   7   3.117  19.762  -3.798
   63    HA   ASN   7           HA       ASN   7   5.817  18.875  -3.122
   64   1HB   ASN   7          2HB       ASN   7   4.960  21.144  -4.022
   65   2HB   ASN   7          1HB       ASN   7   4.482  21.478  -2.357
   66   1HD2  ASN   7          1HD2      ASN   7   7.267  21.007  -4.491
   67   2HD2  ASN   7          2HD2      ASN   7   8.435  21.529  -3.376
   68    H    ALA   8           H        ALA   8   2.800  19.259  -1.379
   69    HA   ALA   8           HA       ALA   8   4.185  19.064   1.252
   70   1HB   ALA   8          1HB       ALA   8   2.278  20.700   0.612
   71   2HB   ALA   8          2HB       ALA   8   2.111  19.825   2.134
   72   3HB   ALA   8          3HB       ALA   8   1.219  19.293   0.709
   73    HA   PRO   9           HA       PRO   9   3.305  14.687   1.091
   74   1HB   PRO   9          2HB       PRO   9   3.873  14.053   3.692
   75   2HB   PRO   9          1HB       PRO   9   5.128  14.352   2.474
   76   1HG   PRO   9          2HG       PRO   9   4.086  16.153   4.600
   77   2HG   PRO   9          1HG       PRO   9   5.743  15.935   4.015
   78   1HD   PRO   9          2HD       PRO   9   4.155  18.033   3.292
   79   2HD   PRO   9          1HD       PRO   9   5.454  17.386   2.266
   80    H    LYS  10           H        LYS  10   1.130  14.236   0.940
   81    HA   LYS  10           HA       LYS  10  -0.882  15.262   2.718
   82   1HB   LYS  10          2HB       LYS  10  -2.333  13.707   1.438
   83   2HB   LYS  10          1HB       LYS  10  -1.258  14.602   0.366
   84   1HG   LYS  10          2HG       LYS  10   0.237  12.351   1.049
   85   2HG   LYS  10          1HG       LYS  10  -1.400  11.721   0.872
   86   1HD   LYS  10          2HD       LYS  10  -1.582  12.573  -1.365
   87   2HD   LYS  10          1HD       LYS  10  -0.097  13.511  -1.193
   88   1HE   LYS  10          2HE       LYS  10   1.230  11.455  -1.033
   89   2HE   LYS  10          1HE       LYS  10  -0.249  10.475  -1.108
   90   1HZ   LYS  10          1HZ       LYS  10   0.760  10.738  -3.308
   91   2HZ   LYS  10          2HZ       LYS  10   0.626  12.426  -3.174
   92   3HZ   LYS  10          3HZ       LYS  10  -0.772  11.462  -3.241
   93    H    ARG  11           H        ARG  11  -2.439  12.936   3.264
   94    HA   ARG  11           HA       ARG  11  -1.408  12.079   5.779
   95   1HB   ARG  11          2HB       ARG  11  -3.626  11.445   3.930
   96   2HB   ARG  11          1HB       ARG  11  -3.184  10.124   5.011
   97   1HG   ARG  11          2HG       ARG  11  -4.868  11.470   6.120
   98   2HG   ARG  11          1HG       ARG  11  -3.326  11.743   6.933
   99   1HD   ARG  11          2HD       ARG  11  -3.017  13.786   5.450
  100   2HD   ARG  11          1HD       ARG  11  -4.701  13.566   4.936
  101    HE   ARG  11           HE       ARG  11  -5.166  13.556   7.514
  102   1HH1  ARG  11          1HH2      ARG  11  -2.050  14.473   7.256
  103   2HH1  ARG  11          2HH2      ARG  11  -2.244  16.094   7.835
  104   1HH2  ARG  11          1HH1      ARG  11  -5.707  16.018   7.681
  105   2HH2  ARG  11          2HH1      ARG  11  -4.314  16.969   8.075
  106    HA   PRO  12           HA       PRO  12   1.476   9.014   4.366
  107   1HB   PRO  12          2HB       PRO  12   1.831   7.620   6.692
  108   2HB   PRO  12          1HB       PRO  12   2.554   9.214   6.398
  109   1HG   PRO  12          2HG       PRO  12   0.153   8.490   7.989
  110   2HG   PRO  12          1HG       PRO  12   1.383   9.722   8.293
  111   1HD   PRO  12          2HD       PRO  12  -1.105  10.258   7.279
  112   2HD   PRO  12          1HD       PRO  12   0.323  11.282   7.012
  113    HA   PRO  13           HA       PRO  13  -1.469   5.697   3.702
  114   1HB   PRO  13          2HB       PRO  13  -0.056   4.331   1.807
  115   2HB   PRO  13          1HB       PRO  13  -0.947   5.823   1.455
  116   1HG   PRO  13          2HG       PRO  13   1.952   5.386   1.747
  117   2HG   PRO  13          1HG       PRO  13   1.079   6.597   0.802
  118   1HD   PRO  13          2HD       PRO  13   2.342   6.997   3.279
  119   2HD   PRO  13          1HD       PRO  13   1.227   8.115   2.469
  120    H    SER  14           H        SER  14  -1.130   3.120   3.516
  121    HA   SER  14           HA       SER  14   1.184   2.004   4.888
  122   1HB   SER  14          2HB       SER  14   0.013   3.237   6.708
  123   2HB   SER  14          1HB       SER  14  -1.434   2.281   6.401
  124    HG   SER  14           HG       SER  14  -0.357   1.236   8.003
  125    H    ALA  15           H        ALA  15   0.343   0.989   2.571
  126    HA   ALA  15           HA       ALA  15  -0.265  -1.006   1.560
  127   1HB   ALA  15          1HB       ALA  15  -1.393  -2.406   3.843
  128   2HB   ALA  15          2HB       ALA  15   0.143  -1.656   4.277
  129   3HB   ALA  15          3HB       ALA  15   0.062  -2.780   2.922
  130    H    PHE  16           H        PHE  16  -2.725  -0.970   4.175
  131    HA   PHE  16           HA       PHE  16  -4.959  -1.543   2.589
  132   1HB   PHE  16          2HB       PHE  16  -4.640  -1.288   5.132
  133   2HB   PHE  16          1HB       PHE  16  -4.976   0.424   4.878
  134    HD1  PHE  16           1HD      PHE  16  -7.176   0.992   5.398
  135    HD2  PHE  16           2HD      PHE  16  -6.381  -2.784   3.514
  136    HE1  PHE  16           1HE      PHE  16  -9.609   0.511   5.334
  137    HE2  PHE  16           2HE      PHE  16  -8.813  -3.265   3.449
  138    HZ   PHE  16           HZ       PHE  16 -10.428  -1.618   4.358
  139    H    PHE  17           H        PHE  17  -3.670   1.691   3.399
  140    HA   PHE  17           HA       PHE  17  -5.630   3.237   2.005
  141   1HB   PHE  17          2HB       PHE  17  -3.723   3.853   3.688
  142   2HB   PHE  17          1HB       PHE  17  -2.716   3.983   2.246
  143    HD1  PHE  17           1HD      PHE  17  -3.455   5.536   0.371
  144    HD2  PHE  17           2HD      PHE  17  -5.253   5.569   4.271
  145    HE1  PHE  17           1HE      PHE  17  -4.386   7.790  -0.079
  146    HE2  PHE  17           2HE      PHE  17  -6.184   7.824   3.822
  147    HZ   PHE  17           HZ       PHE  17  -5.751   8.934   1.648
  148    H    LEU  18           H        LEU  18  -2.641   1.652   0.924
  149    HA   LEU  18           HA       LEU  18  -2.634   2.855  -1.723
  150   1HB   LEU  18          2HB       LEU  18  -1.307   0.297  -0.768
  151   2HB   LEU  18          1HB       LEU  18  -0.791   1.328  -2.097
  152    HG   LEU  18           HG       LEU  18  -0.747   2.030   0.860
  153   1HD1  LEU  18          1HD1      LEU  18   1.752   2.305   0.201
  154   2HD1  LEU  18          2HD1      LEU  18   1.330   1.321  -1.201
  155   3HD1  LEU  18          3HD1      LEU  18   1.119   0.674   0.426
  156   1HD2  LEU  18          1HD2      LEU  18  -1.244   4.080  -0.244
  157   2HD2  LEU  18          2HD2      LEU  18  -0.237   3.670  -1.633
  158   3HD2  LEU  18          3HD2      LEU  18   0.514   4.088  -0.094
  159    H    PHE  19           H        PHE  19  -3.715  -0.255  -0.358
  160    HA   PHE  19           HA       PHE  19  -4.401  -1.509  -2.851
  161   1HB   PHE  19          2HB       PHE  19  -4.043  -2.599  -0.619
  162   2HB   PHE  19          1HB       PHE  19  -5.579  -1.915  -0.084
  163    HD1  PHE  19           1HD      PHE  19  -3.972  -4.567  -1.946
  164    HD2  PHE  19           2HD      PHE  19  -7.699  -2.521  -1.341
  165    HE1  PHE  19           1HE      PHE  19  -5.182  -6.461  -2.995
  166    HE2  PHE  19           2HE      PHE  19  -8.909  -4.415  -2.390
  167    HZ   PHE  19           HZ       PHE  19  -7.650  -6.386  -3.216
  168    H    CYS  20           H        CYS  20  -6.459   0.149  -0.427
  169    HA   CYS  20           HA       CYS  20  -8.894  -0.026  -1.962
  170   1HB   CYS  20          2HB       CYS  20  -8.308   0.567   0.562
  171   2HB   CYS  20          1HB       CYS  20  -8.323   2.218  -0.055
  172    HG   CYS  20           HG       CYS  20 -10.785   0.348   0.125
  173    H    SER  21           H        SER  21  -6.211   2.234  -1.946
  174    HA   SER  21           HA       SER  21  -7.500   4.391  -3.365
  175   1HB   SER  21          2HB       SER  21  -4.726   3.526  -2.663
  176   2HB   SER  21          1HB       SER  21  -4.914   4.789  -3.876
  177    HG   SER  21           HG       SER  21  -6.151   5.954  -2.367
  178    H    GLU  22           H        GLU  22  -6.309   1.305  -4.471
  179    HA   GLU  22           HA       GLU  22  -6.456   2.321  -7.291
  180   1HB   GLU  22          2HB       GLU  22  -4.655   0.730  -7.799
  181   2HB   GLU  22          1HB       GLU  22  -4.165   1.813  -6.499
  182   1HG   GLU  22          2HG       GLU  22  -4.826   0.060  -4.843
  183   2HG   GLU  22          1HG       GLU  22  -5.184  -1.026  -6.185
  184    H    TYR  23           H        TYR  23  -7.372  -0.260  -5.056
  185    HA   TYR  23           HA       TYR  23  -8.318  -2.081  -7.129
  186   1HB   TYR  23          2HB       TYR  23  -8.341  -1.864  -4.154
  187   2HB   TYR  23          1HB       TYR  23  -9.537  -2.927  -4.890
  188    HD1  TYR  23           1HD      TYR  23  -8.928  -5.037  -5.786
  189    HD2  TYR  23           2HD      TYR  23  -5.882  -2.197  -4.732
  190    HE1  TYR  23           1HE      TYR  23  -7.189  -6.772  -6.130
  191    HE2  TYR  23           2HE      TYR  23  -4.145  -3.932  -5.075
  192    HH   TYR  23           HH       TYR  23  -4.857  -7.218  -5.339
  193    H    ARG  24           H        ARG  24  -9.852   0.349  -5.018
  194    HA   ARG  24           HA       ARG  24 -12.552  -0.147  -5.399
  195   1HB   ARG  24          2HB       ARG  24 -11.006   2.447  -5.288
  196   2HB   ARG  24          1HB       ARG  24 -12.765   2.355  -5.190
  197   1HG   ARG  24          2HG       ARG  24 -12.594   0.875  -3.235
  198   2HG   ARG  24          1HG       ARG  24 -10.835   0.950  -3.325
  199   1HD   ARG  24          2HD       ARG  24 -10.797   2.933  -2.220
  200   2HD   ARG  24          1HD       ARG  24 -12.017   3.626  -3.306
  201    HE   ARG  24           HE       ARG  24 -12.913   1.692  -1.228
  202   1HH1  ARG  24          1HH1      ARG  24 -14.573   3.581  -3.064
  203   2HH1  ARG  24          2HH1      ARG  24 -15.096   4.750  -1.897
  204   1HH2  ARG  24          1HH2      ARG  24 -12.812   3.756   0.516
  205   2HH2  ARG  24          2HH2      ARG  24 -14.099   4.849   0.129
  206    HA   PRO  25           HA       PRO  25 -12.632   2.489  -9.478
  207   1HB   PRO  25          2HB       PRO  25 -10.261   2.590 -10.873
  208   2HB   PRO  25          1HB       PRO  25 -10.802   3.859  -9.754
  209   1HG   PRO  25          2HG       PRO  25  -8.920   1.591  -9.262
  210   2HG   PRO  25          1HG       PRO  25  -8.757   3.300  -8.816
  211   1HD   PRO  25          2HD       PRO  25  -9.513   1.516  -7.011
  212   2HD   PRO  25          1HD       PRO  25 -10.276   3.119  -7.050
  213    H    LYS  26           H        LYS  26 -10.570  -0.314  -9.033
  214    HA   LYS  26           HA       LYS  26 -11.067  -1.548 -11.621
  215   1HB   LYS  26          2HB       LYS  26  -9.247  -2.012  -9.829
  216   2HB   LYS  26          1HB       LYS  26 -10.506  -2.919  -8.985
  217   1HG   LYS  26          2HG       LYS  26  -9.980  -3.465 -11.893
  218   2HG   LYS  26          1HG       LYS  26  -8.932  -4.179 -10.667
  219   1HD   LYS  26          2HD       LYS  26 -11.217  -4.850  -9.532
  220   2HD   LYS  26          1HD       LYS  26 -11.852  -4.649 -11.166
  221   1HE   LYS  26          2HE       LYS  26  -9.372  -6.304 -10.679
  222   2HE   LYS  26          1HE       LYS  26 -10.992  -7.011 -10.518
  223   1HZ   LYS  26          1HZ       LYS  26  -9.914  -5.577 -12.887
  224   2HZ   LYS  26          2HZ       LYS  26 -11.525  -6.093 -12.725
  225   3HZ   LYS  26          3HZ       LYS  26 -10.267  -7.233 -12.788
  226    H    ILE  27           H        ILE  27 -12.407  -1.887  -8.349
  227    HA   ILE  27           HA       ILE  27 -14.397  -3.844  -8.814
  228    HB   ILE  27           HB       ILE  27 -14.341  -1.423  -6.974
  229   1HG1  ILE  27          2HG1      ILE  27 -12.394  -2.921  -6.696
  230   2HG1  ILE  27          1HG1      ILE  27 -13.456  -2.997  -5.297
  231   1HG2  ILE  27          1HG2      ILE  27 -16.016  -3.946  -6.865
  232   2HG2  ILE  27          2HG2      ILE  27 -16.599  -2.295  -7.068
  233   3HG2  ILE  27          3HG2      ILE  27 -15.874  -2.792  -5.539
  234   1HD1  ILE  27          1HD1      ILE  27 -14.527  -5.031  -6.316
  235   2HD1  ILE  27          2HD1      ILE  27 -12.833  -5.252  -5.874
  236   3HD1  ILE  27          3HD1      ILE  27 -13.278  -4.994  -7.561
  237    H    LYS  28           H        LYS  28 -14.311  -0.464  -9.763
  238    HA   LYS  28           HA       LYS  28 -17.213  -0.233 -10.023
  239   1HB   LYS  28          2HB       LYS  28 -15.147   1.581 -11.280
  240   2HB   LYS  28          1HB       LYS  28 -16.750   1.994 -10.689
  241   1HG   LYS  28          2HG       LYS  28 -14.218   1.549  -9.164
  242   2HG   LYS  28          1HG       LYS  28 -15.346   2.876  -9.040
  243   1HD   LYS  28          2HD       LYS  28 -15.750   0.054  -7.967
  244   2HD   LYS  28          1HD       LYS  28 -15.491   1.518  -7.025
  245   1HE   LYS  28          2HE       LYS  28 -17.814   1.358  -8.953
  246   2HE   LYS  28          1HE       LYS  28 -17.944   0.689  -7.314
  247   1HZ   LYS  28          1HZ       LYS  28 -18.578   3.000  -7.277
  248   2HZ   LYS  28          2HZ       LYS  28 -17.124   3.455  -8.031
  249   3HZ   LYS  28          3HZ       LYS  28 -17.105   2.817  -6.457
  250    H    SER  29           H        SER  29 -14.551  -1.163 -12.106
  251    HA   SER  29           HA       SER  29 -16.151  -0.963 -14.569
  252   1HB   SER  29          2HB       SER  29 -13.612  -0.595 -14.195
  253   2HB   SER  29          1HB       SER  29 -13.500  -2.353 -14.183
  254    HG   SER  29           HG       SER  29 -14.000  -0.601 -16.257
  255    H    GLU  30           H        GLU  30 -16.035  -3.221 -12.041
  256    HA   GLU  30           HA       GLU  30 -16.948  -5.397 -13.889
  257   1HB   GLU  30          2HB       GLU  30 -15.010  -5.436 -11.575
  258   2HB   GLU  30          1HB       GLU  30 -15.770  -6.910 -12.175
  259   1HG   GLU  30          2HG       GLU  30 -14.950  -5.952 -14.521
  260   2HG   GLU  30          1HG       GLU  30 -13.762  -5.138 -13.502
  261    H    HIS  31           H        HIS  31 -17.842  -3.427 -11.288
  262    HA   HIS  31           HA       HIS  31 -19.827  -5.474 -10.346
  263   1HB   HIS  31          2HB       HIS  31 -18.456  -3.272  -8.755
  264   2HB   HIS  31          1HB       HIS  31 -19.591  -4.447  -8.117
  265    HD1  HIS  31           1HD      HIS  31 -16.190  -4.384  -9.806
  266    HD2  HIS  31           2HD      HIS  31 -18.434  -6.800  -7.260
  267    HE1  HIS  31           1HE      HIS  31 -14.652  -6.230  -9.034
  268    HA   PRO  32           HA       PRO  32 -22.171  -1.897 -11.945
  269   1HB   PRO  32          2HB       PRO  32 -24.296  -3.331 -12.899
  270   2HB   PRO  32          1HB       PRO  32 -22.801  -3.070 -13.816
  271   1HG   PRO  32          2HG       PRO  32 -23.754  -5.488 -12.420
  272   2HG   PRO  32          1HG       PRO  32 -22.696  -5.332 -13.824
  273   1HD   PRO  32          2HD       PRO  32 -21.889  -5.876 -11.200
  274   2HD   PRO  32          1HD       PRO  32 -20.838  -5.391 -12.547
  275    H    GLY  33           H        GLY  33 -24.434  -4.472 -10.910
  276   1HA   GLY  33          2HA       GLY  33 -26.202  -2.823  -9.493
  277   2HA   GLY  33          1HA       GLY  33 -25.989  -4.536  -9.143
  278    H    LEU  34           H        LEU  34 -23.131  -4.122  -8.471
  279    HA   LEU  34           HA       LEU  34 -23.122  -3.982  -5.696
  280   1HB   LEU  34          2HB       LEU  34 -21.275  -4.656  -7.128
  281   2HB   LEU  34          1HB       LEU  34 -21.080  -3.003  -7.704
  282    HG   LEU  34           HG       LEU  34 -20.985  -3.385  -4.770
  283   1HD1  LEU  34          1HD1      LEU  34 -19.661  -5.310  -5.896
  284   2HD1  LEU  34          2HD1      LEU  34 -18.848  -4.344  -4.664
  285   3HD1  LEU  34          3HD1      LEU  34 -18.533  -4.041  -6.372
  286   1HD2  LEU  34          1HD2      LEU  34 -19.783  -1.674  -6.888
  287   2HD2  LEU  34          2HD2      LEU  34 -18.871  -1.884  -5.393
  288   3HD2  LEU  34          3HD2      LEU  34 -20.499  -1.213  -5.346
  289    H    SER  35           H        SER  35 -24.464  -2.342  -4.829
  290    HA   SER  35           HA       SER  35 -24.365   0.446  -5.540
  291   1HB   SER  35          2HB       SER  35 -25.169  -0.921  -2.950
  292   2HB   SER  35          1HB       SER  35 -25.643   0.703  -3.442
  293    HG   SER  35           HG       SER  35 -26.922  -0.125  -4.979
  294    H    ILE  36           H        ILE  36 -23.769   2.089  -3.631
  295    HA   ILE  36           HA       ILE  36 -20.941   2.117  -3.301
  296    HB   ILE  36           HB       ILE  36 -23.271   3.490  -1.939
  297   1HG1  ILE  36          2HG1      ILE  36 -22.789   4.074  -4.287
  298   2HG1  ILE  36          1HG1      ILE  36 -22.453   5.435  -3.222
  299   1HG2  ILE  36          1HG2      ILE  36 -21.713   3.669  -0.201
  300   2HG2  ILE  36          2HG2      ILE  36 -21.366   5.118  -1.144
  301   3HG2  ILE  36          3HG2      ILE  36 -20.335   3.695  -1.302
  302   1HD1  ILE  36          1HD1      ILE  36 -20.018   4.573  -3.187
  303   2HD1  ILE  36          2HD1      ILE  36 -20.578   5.343  -4.671
  304   3HD1  ILE  36          3HD1      ILE  36 -20.483   3.585  -4.572
  305    H    GLY  37           H        GLY  37 -23.377   1.629  -0.720
  306   1HA   GLY  37          2HA       GLY  37 -21.721   0.891   1.377
  307   2HA   GLY  37          1HA       GLY  37 -23.342   0.234   1.173
  308    H    ASP  38           H        ASP  38 -22.833  -1.187  -1.272
  309    HA   ASP  38           HA       ASP  38 -21.731  -3.642  -0.214
  310   1HB   ASP  38          2HB       ASP  38 -22.515  -2.645  -2.967
  311   2HB   ASP  38          1HB       ASP  38 -21.975  -4.299  -2.674
  312    H    THR  39           H        THR  39 -20.436  -1.017  -2.199
  313    HA   THR  39           HA       THR  39 -18.011  -2.340  -3.042
  314    HB   THR  39           HB       THR  39 -18.037   0.597  -2.591
  315    HG1  THR  39           1HG      THR  39 -19.482   0.866  -4.336
  316   1HG2  THR  39          1HG2      THR  39 -17.106  -1.378  -4.601
  317   2HG2  THR  39          2HG2      THR  39 -16.284   0.039  -3.948
  318   3HG2  THR  39          3HG2      THR  39 -17.518   0.231  -5.194
  319    H    ALA  40           H        ALA  40 -18.827  -0.321  -0.242
  320    HA   ALA  40           HA       ALA  40 -16.142  -0.103   0.796
  321   1HB   ALA  40          1HB       ALA  40 -18.802   0.023   2.254
  322   2HB   ALA  40          2HB       ALA  40 -18.133   1.355   1.311
  323   3HB   ALA  40          3HB       ALA  40 -17.289   0.783   2.750
  324    H    LYS  41           H        LYS  41 -18.809  -2.369   1.368
  325    HA   LYS  41           HA       LYS  41 -17.222  -3.861   3.348
  326   1HB   LYS  41          2HB       LYS  41 -19.288  -5.137   3.641
  327   2HB   LYS  41          1HB       LYS  41 -19.634  -3.412   3.660
  328   1HG   LYS  41          2HG       LYS  41 -20.189  -3.615   1.189
  329   2HG   LYS  41          1HG       LYS  41 -20.086  -5.358   1.390
  330   1HD   LYS  41          2HD       LYS  41 -22.414  -4.640   1.621
  331   2HD   LYS  41          1HD       LYS  41 -21.816  -5.235   3.169
  332   1HE   LYS  41          2HE       LYS  41 -21.233  -2.417   3.034
  333   2HE   LYS  41          1HE       LYS  41 -22.937  -2.662   2.604
  334   1HZ   LYS  41          1HZ       LYS  41 -22.720  -2.561   4.990
  335   2HZ   LYS  41          2HZ       LYS  41 -21.542  -3.785   4.977
  336   3HZ   LYS  41          3HZ       LYS  41 -23.144  -4.139   4.536
  337    H    LYS  42           H        LYS  42 -17.690  -3.968  -0.092
  338    HA   LYS  42           HA       LYS  42 -17.165  -6.860  -0.319
  339   1HB   LYS  42          2HB       LYS  42 -18.689  -5.571  -1.830
  340   2HB   LYS  42          1HB       LYS  42 -17.312  -4.619  -2.366
  341   1HG   LYS  42          2HG       LYS  42 -17.866  -6.457  -3.946
  342   2HG   LYS  42          1HG       LYS  42 -16.236  -6.611  -3.285
  343   1HD   LYS  42          2HD       LYS  42 -16.734  -8.544  -2.186
  344   2HD   LYS  42          1HD       LYS  42 -18.320  -7.959  -1.682
  345   1HE   LYS  42          2HE       LYS  42 -19.361  -8.951  -3.446
  346   2HE   LYS  42          1HE       LYS  42 -18.099  -8.447  -4.587
  347   1HZ   LYS  42          1HZ       LYS  42 -17.882 -10.648  -2.598
  348   2HZ   LYS  42          2HZ       LYS  42 -16.632 -10.132  -3.626
  349   3HZ   LYS  42          3HZ       LYS  42 -18.033 -10.839  -4.277
  350    H    LEU  43           H        LEU  43 -15.291  -4.031   0.119
  351    HA   LEU  43           HA       LEU  43 -12.943  -5.062  -1.381
  352   1HB   LEU  43          2HB       LEU  43 -13.732  -2.517   0.032
  353   2HB   LEU  43          1HB       LEU  43 -12.049  -2.806  -0.406
  354    HG   LEU  43           HG       LEU  43 -14.259  -3.126  -2.433
  355   1HD1  LEU  43          1HD1      LEU  43 -12.691  -0.589  -1.894
  356   2HD1  LEU  43          2HD1      LEU  43 -14.362  -0.838  -1.390
  357   3HD1  LEU  43          3HD1      LEU  43 -13.953  -0.818  -3.105
  358   1HD2  LEU  43          1HD2      LEU  43 -12.285  -3.983  -3.324
  359   2HD2  LEU  43          2HD2      LEU  43 -11.269  -2.864  -2.415
  360   3HD2  LEU  43          3HD2      LEU  43 -12.163  -2.297  -3.825
  361    H    GLY  44           H        GLY  44 -14.140  -4.519   1.888
  362   1HA   GLY  44          2HA       GLY  44 -11.652  -5.103   3.249
  363   2HA   GLY  44          1HA       GLY  44 -13.255  -5.116   3.991
  364    H    GLU  45           H        GLU  45 -14.407  -7.004   2.135
  365    HA   GLU  45           HA       GLU  45 -13.900  -9.478   3.423
  366   1HB   GLU  45          2HB       GLU  45 -15.186  -8.539   0.884
  367   2HB   GLU  45          1HB       GLU  45 -14.933 -10.272   1.089
  368   1HG   GLU  45          2HG       GLU  45 -16.095 -10.149   3.291
  369   2HG   GLU  45          1HG       GLU  45 -16.424  -8.442   2.991
  370    H    MET  46           H        MET  46 -12.509  -8.131   0.432
  371    HA   MET  46           HA       MET  46 -10.944 -10.517  -0.182
  372   1HB   MET  46          2HB       MET  46 -10.848  -7.640  -1.149
  373   2HB   MET  46          1HB       MET  46  -9.986  -8.981  -1.905
  374   1HG   MET  46          2HG       MET  46 -12.145 -10.135  -2.294
  375   2HG   MET  46          1HG       MET  46 -12.993  -8.762  -1.583
  376   1HE   MET  46          1HE       MET  46 -12.729 -10.396  -4.492
  377   2HE   MET  46          2HE       MET  46 -13.100  -9.157  -5.688
  378   3HE   MET  46          3HE       MET  46 -14.131  -9.340  -4.271
  379    H    TRP  47           H        TRP  47 -10.147  -7.245   1.054
  380    HA   TRP  47           HA       TRP  47  -7.353  -7.624   1.397
  381   1HB   TRP  47          2HB       TRP  47  -8.641  -5.482   1.531
  382   2HB   TRP  47          1HB       TRP  47  -9.273  -5.997   3.096
  383    HD1  TRP  47           HD       TRP  47  -7.929  -5.195   5.089
  384    HE1  TRP  47           1HE      TRP  47  -5.498  -4.446   5.506
  385    HE3  TRP  47           3HE      TRP  47  -5.959  -5.970   0.442
  386    HZ2  TRP  47           2HZ      TRP  47  -3.041  -4.208   4.060
  387    HZ3  TRP  47           3HZ      TRP  47  -3.573  -5.474  -0.010
  388    HH2  TRP  47           HH       TRP  47  -2.113  -4.596   1.790
  389    H    SER  48           H        SER  48 -10.050  -8.776   3.336
  390    HA   SER  48           HA       SER  48  -8.363  -9.438   5.659
  391   1HB   SER  48          2HB       SER  48 -10.548 -10.368   6.466
  392   2HB   SER  48          1HB       SER  48 -10.677  -8.696   5.930
  393    HG   SER  48           HG       SER  48 -11.622 -11.052   4.758
  394    H    GLU  49           H        GLU  49  -9.931 -11.111   2.944
  395    HA   GLU  49           HA       GLU  49  -9.393 -13.806   3.770
  396   1HB   GLU  49          2HB       GLU  49  -9.859 -12.397   1.136
  397   2HB   GLU  49          1HB       GLU  49  -9.595 -14.141   1.206
  398   1HG   GLU  49          2HG       GLU  49 -11.660 -12.805   2.953
  399   2HG   GLU  49          1HG       GLU  49 -12.040 -13.300   1.303
  400    H    GLN  50           H        GLN  50  -7.448 -11.384   2.093
  401    HA   GLN  50           HA       GLN  50  -5.353 -13.073   1.114
  402   1HB   GLN  50          2HB       GLN  50  -5.465 -10.183   2.030
  403   2HB   GLN  50          1HB       GLN  50  -4.065 -10.884   1.218
  404   1HG   GLN  50          2HG       GLN  50  -6.855 -10.983   0.049
  405   2HG   GLN  50          1HG       GLN  50  -5.713  -9.684  -0.305
  406   1HE2  GLN  50          1HE2      GLN  50  -6.844 -12.189  -1.890
  407   2HE2  GLN  50          2HE2      GLN  50  -5.443 -12.824  -2.607
  408    H    SER  51           H        SER  51  -3.352 -13.650   2.062
  409    HA   SER  51           HA       SER  51  -3.321 -13.644   5.048
  410   1HB   SER  51          2HB       SER  51  -1.659 -15.203   3.043
  411   2HB   SER  51          1HB       SER  51  -1.832 -15.546   4.761
  412    HG   SER  51           HG       SER  51  -3.289 -16.856   3.832
  413    H    ALA  52           H        ALA  52  -0.428 -14.142   5.122
  414    HA   ALA  52           HA       ALA  52   0.504 -11.358   5.034
  415   1HB   ALA  52          1HB       ALA  52   1.026 -12.915   6.879
  416   2HB   ALA  52          2HB       ALA  52   2.507 -12.384   6.084
  417   3HB   ALA  52          3HB       ALA  52   1.851 -13.986   5.748
  418    H    LYS  53           H        LYS  53  -0.030 -11.875   2.439
  419    HA   LYS  53           HA       LYS  53   2.666 -12.345   1.212
  420   1HB   LYS  53          2HB       LYS  53   0.571 -14.081   1.090
  421   2HB   LYS  53          1HB       LYS  53   0.225 -13.073  -0.315
  422   1HG   LYS  53          2HG       LYS  53   1.626 -14.725  -1.212
  423   2HG   LYS  53          1HG       LYS  53   2.752 -13.410  -0.875
  424   1HD   LYS  53          2HD       LYS  53   3.289 -14.465   1.314
  425   2HD   LYS  53          1HD       LYS  53   2.222 -15.808   0.904
  426   1HE   LYS  53          2HE       LYS  53   3.639 -16.130  -1.202
  427   2HE   LYS  53          1HE       LYS  53   4.803 -15.010  -0.467
  428   1HZ   LYS  53          1HZ       LYS  53   3.739 -17.485   0.789
  429   2HZ   LYS  53          2HZ       LYS  53   4.811 -16.391   1.525
  430   3HZ   LYS  53          3HZ       LYS  53   5.305 -17.287   0.169
  431    H    ASP  54           H        ASP  54  -0.621 -11.051   0.615
  432    HA   ASP  54           HA       ASP  54   0.125  -9.325  -1.572
  433   1HB   ASP  54          2HB       ASP  54  -2.176 -10.240  -0.568
  434   2HB   ASP  54          1HB       ASP  54  -2.143  -8.688   0.272
  435    H    LYS  55           H        LYS  55  -0.029  -8.830   1.948
  436    HA   LYS  55           HA       LYS  55   0.387  -5.969   1.839
  437   1HB   LYS  55          2HB       LYS  55  -0.526  -7.555   3.704
  438   2HB   LYS  55          1HB       LYS  55   1.173  -7.760   4.129
  439   1HG   LYS  55          2HG       LYS  55   1.435  -5.506   4.705
  440   2HG   LYS  55          1HG       LYS  55   0.045  -4.999   3.745
  441   1HD   LYS  55          2HD       LYS  55  -1.502  -5.813   5.332
  442   2HD   LYS  55          1HD       LYS  55  -0.290  -6.823   6.122
  443   1HE   LYS  55          2HE       LYS  55   0.878  -4.411   6.471
  444   2HE   LYS  55          1HE       LYS  55  -0.825  -3.914   6.458
  445   1HZ   LYS  55          1HZ       LYS  55  -1.285  -5.734   8.032
  446   2HZ   LYS  55          2HZ       LYS  55  -0.220  -4.578   8.678
  447   3HZ   LYS  55          3HZ       LYS  55   0.375  -6.067   8.118
  448    H    GLN  56           H        GLN  56   2.585  -8.755   2.175
  449    HA   GLN  56           HA       GLN  56   4.984  -7.644   2.942
  450   1HB   GLN  56          2HB       GLN  56   4.101  -9.809   1.139
  451   2HB   GLN  56          1HB       GLN  56   5.776  -9.305   0.921
  452   1HG   GLN  56          2HG       GLN  56   4.636  -9.883   3.659
  453   2HG   GLN  56          1HG       GLN  56   5.340 -11.154   2.657
  454   1HE2  GLN  56          1HE2      GLN  56   6.083  -8.310   4.594
  455   2HE2  GLN  56          2HE2      GLN  56   7.772  -8.453   4.495
  456    HA   PRO  57           HA       PRO  57   6.188  -6.022  -1.360
  457   1HB   PRO  57          2HB       PRO  57   4.439  -6.167  -3.439
  458   2HB   PRO  57          1HB       PRO  57   5.551  -7.487  -3.023
  459   1HG   PRO  57          2HG       PRO  57   2.657  -7.201  -2.455
  460   2HG   PRO  57          1HG       PRO  57   3.583  -8.648  -2.873
  461   1HD   PRO  57          2HD       PRO  57   2.767  -8.002  -0.329
  462   2HD   PRO  57          1HD       PRO  57   4.146  -9.055  -0.710
  463    H    TYR  58           H        TYR  58   2.701  -5.604  -0.785
  464    HA   TYR  58           HA       TYR  58   2.669  -2.860  -1.813
  465   1HB   TYR  58          2HB       TYR  58   0.830  -4.944  -0.869
  466   2HB   TYR  58          1HB       TYR  58   0.307  -3.325  -0.444
  467    HD1  TYR  58           1HD      TYR  58   0.734  -5.738  -3.108
  468    HD2  TYR  58           2HD      TYR  58   0.086  -1.577  -2.264
  469    HE1  TYR  58           1HE      TYR  58  -0.022  -5.383  -5.443
  470    HE2  TYR  58           2HE      TYR  58  -0.670  -1.222  -4.599
  471    HH   TYR  58           HH       TYR  58  -0.255  -3.607  -7.048
  472    H    GLU  59           H        GLU  59   3.457  -4.218   1.255
  473    HA   GLU  59           HA       GLU  59   2.520  -1.935   2.848
  474   1HB   GLU  59          2HB       GLU  59   3.515  -3.180   4.695
  475   2HB   GLU  59          1HB       GLU  59   2.638  -4.296   3.660
  476   1HG   GLU  59          2HG       GLU  59   4.567  -5.507   3.719
  477   2HG   GLU  59          1HG       GLU  59   5.116  -4.355   2.504
  478    H    GLN  60           H        GLN  60   5.517  -2.865   1.254
  479    HA   GLN  60           HA       GLN  60   7.228  -1.011   2.696
  480   1HB   GLN  60          2HB       GLN  60   8.814  -1.593   0.864
  481   2HB   GLN  60          1HB       GLN  60   8.069  -3.020   1.577
  482   1HG   GLN  60          2HG       GLN  60   6.688  -3.382  -0.272
  483   2HG   GLN  60          1HG       GLN  60   6.820  -1.715  -0.828
  484   1HE2  GLN  60          1HE2      GLN  60   8.436  -1.267  -2.367
  485   2HE2  GLN  60          2HE2      GLN  60   9.647  -2.364  -2.828
  486    H    LYS  61           H        LYS  61   4.992  -0.681   0.051
  487    HA   LYS  61           HA       LYS  61   6.145   1.602  -1.271
  488   1HB   LYS  61          2HB       LYS  61   4.405   0.185  -2.256
  489   2HB   LYS  61          1HB       LYS  61   3.292   0.595  -0.952
  490   1HG   LYS  61          2HG       LYS  61   3.049   2.826  -1.706
  491   2HG   LYS  61          1HG       LYS  61   4.483   2.727  -2.730
  492   1HD   LYS  61          2HD       LYS  61   3.186   0.843  -3.972
  493   2HD   LYS  61          1HD       LYS  61   1.762   1.516  -3.177
  494   1HE   LYS  61          2HE       LYS  61   3.679   3.276  -4.726
  495   2HE   LYS  61          1HE       LYS  61   2.309   2.463  -5.510
  496   1HZ   LYS  61          1HZ       LYS  61   2.129   4.194  -3.099
  497   2HZ   LYS  61          2HZ       LYS  61   0.828   3.422  -3.870
  498   3HZ   LYS  61          3HZ       LYS  61   1.678   4.657  -4.667
  499    H    ALA  62           H        ALA  62   3.815   1.302   1.417
  500    HA   ALA  62           HA       ALA  62   3.564   4.208   1.722
  501   1HB   ALA  62          1HB       ALA  62   1.640   3.026   2.319
  502   2HB   ALA  62          2HB       ALA  62   2.398   3.251   3.896
  503   3HB   ALA  62          3HB       ALA  62   2.558   1.711   3.051
  504    H    ALA  63           H        ALA  63   5.736   1.747   2.839
  505    HA   ALA  63           HA       ALA  63   6.516   2.760   5.382
  506   1HB   ALA  63          1HB       ALA  63   8.551   1.439   4.952
  507   2HB   ALA  63          2HB       ALA  63   8.166   1.388   3.232
  508   3HB   ALA  63          3HB       ALA  63   7.128   0.560   4.393
  509    H    LYS  64           H        LYS  64   7.555   3.670   2.078
  510    HA   LYS  64           HA       LYS  64   9.693   5.429   2.943
  511   1HB   LYS  64          2HB       LYS  64   8.024   5.285   0.408
  512   2HB   LYS  64          1HB       LYS  64   9.530   6.189   0.570
  513   1HG   LYS  64          2HG       LYS  64   9.374   3.235   1.187
  514   2HG   LYS  64          1HG       LYS  64   9.705   3.831  -0.441
  515   1HD   LYS  64          2HD       LYS  64  11.577   5.225   0.595
  516   2HD   LYS  64          1HD       LYS  64  11.344   4.272   2.062
  517   1HE   LYS  64          2HE       LYS  64  11.653   2.189   0.617
  518   2HE   LYS  64          1HE       LYS  64  12.199   3.280  -0.673
  519   1HZ   LYS  64          1HZ       LYS  64  13.807   4.231   0.875
  520   2HZ   LYS  64          2HZ       LYS  64  14.071   2.565   0.676
  521   3HZ   LYS  64          3HZ       LYS  64  13.313   3.145   2.081
  522    H    LEU  65           H        LEU  65   6.532   6.247   1.465
  523    HA   LEU  65           HA       LEU  65   6.442   8.986   1.886
  524   1HB   LEU  65          2HB       LEU  65   4.423   6.774   1.858
  525   2HB   LEU  65          1HB       LEU  65   3.876   8.407   2.240
  526    HG   LEU  65           HG       LEU  65   5.303   9.056   0.118
  527   1HD1  LEU  65          1HD1      LEU  65   4.963   7.118  -1.576
  528   2HD1  LEU  65          2HD1      LEU  65   4.835   6.089  -0.151
  529   3HD1  LEU  65          3HD1      LEU  65   6.315   7.000  -0.450
  530   1HD2  LEU  65          1HD2      LEU  65   3.296   8.911  -1.216
  531   2HD2  LEU  65          2HD2      LEU  65   2.797   9.211   0.449
  532   3HD2  LEU  65          3HD2      LEU  65   2.673   7.588  -0.230
  533    H    LYS  66           H        LYS  66   6.156   6.524   4.383
  534    HA   LYS  66           HA       LYS  66   4.888   8.157   6.407
  535   1HB   LYS  66          2HB       LYS  66   5.051   5.669   6.400
  536   2HB   LYS  66          1HB       LYS  66   6.791   5.801   6.650
  537   1HG   LYS  66          2HG       LYS  66   5.893   5.479   8.825
  538   2HG   LYS  66          1HG       LYS  66   6.217   7.210   8.723
  539   1HD   LYS  66          2HD       LYS  66   3.967   7.762   8.553
  540   2HD   LYS  66          1HD       LYS  66   3.527   6.193   7.877
  541   1HE   LYS  66          2HE       LYS  66   4.654   6.070  10.612
  542   2HE   LYS  66          1HE       LYS  66   3.080   6.879  10.485
  543   1HZ   LYS  66          1HZ       LYS  66   2.758   4.504  10.688
  544   2HZ   LYS  66          2HZ       LYS  66   3.781   4.217   9.361
  545   3HZ   LYS  66          3HZ       LYS  66   2.295   5.008   9.136
  546    H    GLU  67           H        GLU  67   8.301   7.321   5.745
  547    HA   GLU  67           HA       GLU  67   9.445   8.934   7.831
  548   1HB   GLU  67          2HB       GLU  67  10.449   7.862   5.178
  549   2HB   GLU  67          1HB       GLU  67  11.501   8.676   6.337
  550   1HG   GLU  67          2HG       GLU  67  10.978   7.014   8.043
  551   2HG   GLU  67          1HG       GLU  67   9.821   6.232   6.965
  552    H    LYS  68           H        LYS  68   9.231   9.560   4.299
  553    HA   LYS  68           HA       LYS  68  10.187  12.228   4.313
  554   1HB   LYS  68          2HB       LYS  68   8.195  10.745   2.576
  555   2HB   LYS  68          1HB       LYS  68   8.814  12.346   2.168
  556   1HG   LYS  68          2HG       LYS  68  11.129  11.455   2.250
  557   2HG   LYS  68          1HG       LYS  68  10.483   9.850   2.597
  558   1HD   LYS  68          2HD       LYS  68   9.109  10.120   0.438
  559   2HD   LYS  68          1HD       LYS  68  10.174  11.479   0.072
  560   1HE   LYS  68          2HE       LYS  68  11.238   8.723   0.767
  561   2HE   LYS  68          1HE       LYS  68  10.930   9.248  -0.902
  562   1HZ   LYS  68          1HZ       LYS  68  12.623  10.691   1.070
  563   2HZ   LYS  68          2HZ       LYS  68  12.326  11.177  -0.530
  564   3HZ   LYS  68          3HZ       LYS  68  13.208   9.758  -0.220
  565    H    TYR  69           H        TYR  69   7.041  10.948   5.209
  566    HA   TYR  69           HA       TYR  69   5.626  13.500   5.131
  567   1HB   TYR  69          2HB       TYR  69   4.454  11.381   4.879
  568   2HB   TYR  69          1HB       TYR  69   5.107  10.786   6.402
  569    HD1  TYR  69           1HD      TYR  69   2.634  13.019   4.834
  570    HD2  TYR  69           2HD      TYR  69   4.263  11.612   8.550
  571    HE1  TYR  69           1HE      TYR  69   0.701  13.989   6.050
  572    HE2  TYR  69           2HE      TYR  69   2.331  12.581   9.765
  573    HH   TYR  69           HH       TYR  69  -0.383  13.228   8.681
  574    H    GLU  70           H        GLU  70   6.323  11.378   7.912
  575    HA   GLU  70           HA       GLU  70   5.974  13.235   9.988
  576   1HB   GLU  70          2HB       GLU  70   7.415  10.693   9.526
  577   2HB   GLU  70          1HB       GLU  70   7.979  11.622  10.916
  578   1HG   GLU  70          2HG       GLU  70   5.602  11.789  11.699
  579   2HG   GLU  70          1HG       GLU  70   5.135  10.717  10.379
  580    H    LYS  71           H        LYS  71   8.690  12.981   7.781
  581    HA   LYS  71           HA       LYS  71  10.409  14.720   9.456
  582   1HB   LYS  71          2HB       LYS  71  10.661  13.158   6.891
  583   2HB   LYS  71          1HB       LYS  71  11.894  14.334   7.345
  584   1HG   LYS  71          2HG       LYS  71  12.314  13.181   9.434
  585   2HG   LYS  71          1HG       LYS  71  10.962  12.084   9.148
  586   1HD   LYS  71          2HD       LYS  71  12.077  11.107   7.233
  587   2HD   LYS  71          1HD       LYS  71  13.371  12.303   7.324
  588   1HE   LYS  71          2HE       LYS  71  14.281  10.375   8.387
  589   2HE   LYS  71          1HE       LYS  71  13.746  11.394   9.739
  590   1HZ   LYS  71          1HZ       LYS  71  12.895   9.135   9.967
  591   2HZ   LYS  71          2HZ       LYS  71  12.142   9.248   8.448
  592   3HZ   LYS  71          3HZ       LYS  71  11.625  10.234   9.730
  593    H    ASP  72           H        ASP  72   9.402  14.805   6.015
  594    HA   ASP  72           HA       ASP  72  10.053  17.521   5.536
  595   1HB   ASP  72          2HB       ASP  72   9.466  15.642   3.918
  596   2HB   ASP  72          1HB       ASP  72   7.773  15.973   4.283
  597    H    ILE  73           H        ILE  73   7.131  16.116   6.964
  598    HA   ILE  73           HA       ILE  73   5.417  18.392   6.719
  599    HB   ILE  73           HB       ILE  73   4.846  16.002   7.344
  600   1HG1  ILE  73          2HG1      ILE  73   3.179  16.809   9.198
  601   2HG1  ILE  73          1HG1      ILE  73   3.848  18.404   8.848
  602   1HG2  ILE  73          1HG2      ILE  73   6.672  15.893   9.135
  603   2HG2  ILE  73          2HG2      ILE  73   5.099  15.239   9.591
  604   3HG2  ILE  73          3HG2      ILE  73   5.587  16.837  10.156
  605   1HD1  ILE  73          1HD1      ILE  73   3.241  18.208   6.506
  606   2HD1  ILE  73          2HD1      ILE  73   1.814  17.858   7.481
  607   3HD1  ILE  73          3HD1      ILE  73   2.721  16.540   6.740
  608    H    ALA  74           H        ALA  74   7.866  17.547   9.141
  609    HA   ALA  74           HA       ALA  74   7.267  19.517  11.113
  610   1HB   ALA  74          1HB       ALA  74   9.935  18.370  10.218
  611   2HB   ALA  74          2HB       ALA  74   8.829  17.606  11.359
  612   3HB   ALA  74          3HB       ALA  74   9.617  19.127  11.778
  613    H    ALA  75           H        ALA  75   9.624  19.677   8.415
  614    HA   ALA  75           HA       ALA  75  10.221  22.491   8.830
  615   1HB   ALA  75          1HB       ALA  75  10.667  20.537   6.551
  616   2HB   ALA  75          2HB       ALA  75  11.821  20.977   7.811
  617   3HB   ALA  75          3HB       ALA  75  11.352  22.162   6.591
  618    H    TYR  76           H        TYR  76   7.821  20.709   6.994
  619    HA   TYR  76           HA       TYR  76   7.089  22.755   5.108
  620   1HB   TYR  76          2HB       TYR  76   6.522  20.316   5.012
  621   2HB   TYR  76          1HB       TYR  76   5.415  20.553   6.366
  622    HD1  TYR  76           1HD      TYR  76   3.219  21.353   6.008
  623    HD2  TYR  76           2HD      TYR  76   6.150  21.696   2.887
  624    HE1  TYR  76           1HE      TYR  76   1.454  22.097   4.433
  625    HE2  TYR  76           2HE      TYR  76   4.385  22.441   1.312
  626    HH   TYR  76           HH       TYR  76   1.484  23.575   2.206
  627    H    ARG  77           H        ARG  77   6.181  22.116   8.455
  628    HA   ARG  77           HA       ARG  77   4.019  24.113   8.457
  629   1HB   ARG  77          2HB       ARG  77   5.288  22.170  10.355
  630   2HB   ARG  77          1HB       ARG  77   4.324  23.486  11.027
  631   1HG   ARG  77          2HG       ARG  77   2.409  22.828   9.653
  632   2HG   ARG  77          1HG       ARG  77   3.367  21.557   8.893
  633   1HD   ARG  77          2HD       ARG  77   3.351  20.215  10.802
  634   2HD   ARG  77          1HD       ARG  77   3.119  21.597  11.891
  635    HE   ARG  77           HE       ARG  77   0.985  20.499  10.103
  636   1HH1  ARG  77          1HH1      ARG  77   0.948  20.069  13.097
  637   2HH1  ARG  77          2HH1      ARG  77  -0.128  21.324  13.616
  638   1HH2  ARG  77          1HH2      ARG  77   0.081  23.094  10.641
  639   2HH2  ARG  77          2HH2      ARG  77  -0.619  23.037  12.224
  640    H    ALA  78           H        ALA  78   6.627  23.910  10.882
  641    HA   ALA  78           HA       ALA  78   7.851  26.448  10.146
  642   1HB   ALA  78          1HB       ALA  78   6.962  27.609  12.220
  643   2HB   ALA  78          2HB       ALA  78   5.834  26.264  12.404
  644   3HB   ALA  78          3HB       ALA  78   5.747  27.301  10.979
  645    H    LYS  79           H        LYS  79   8.911  23.888  10.725
  646    HA   LYS  79           HA       LYS  79  10.347  24.409  13.307
  647   1HB   LYS  79          2HB       LYS  79   8.810  22.104  12.295
  648   2HB   LYS  79          1HB       LYS  79  10.370  21.683  13.002
  649   1HG   LYS  79          2HG       LYS  79   9.799  22.572  15.102
  650   2HG   LYS  79          1HG       LYS  79   8.504  23.566  14.432
  651   1HD   LYS  79          2HD       LYS  79   8.425  20.543  14.378
  652   2HD   LYS  79          1HD       LYS  79   7.751  21.488  15.707
  653   1HE   LYS  79          2HE       LYS  79   6.324  22.721  14.050
  654   2HE   LYS  79          1HE       LYS  79   6.922  21.627  12.787
  655   1HZ   LYS  79          1HZ       LYS  79   6.165  19.745  14.080
  656   2HZ   LYS  79          2HZ       LYS  79   4.863  20.800  13.797
  657   3HZ   LYS  79          3HZ       LYS  79   5.620  20.768  15.318
  Start of MODEL   28
    1   1H    MET   1          1HT       MET   1 -13.203  21.722   5.339
    2   2H    MET   1          2HT       MET   1 -14.639  21.884   4.446
    3   3H    MET   1          3HT       MET   1 -13.739  23.261   4.870
    4    HA   MET   1           HA       MET   1 -12.850  21.116   3.006
    5   1HB   MET   1          2HB       MET   1 -14.751  22.780   2.430
    6   2HB   MET   1          1HB       MET   1 -13.490  24.014   2.442
    7   1HG   MET   1          2HG       MET   1 -12.249  22.839   0.717
    8   2HG   MET   1          1HG       MET   1 -13.376  21.483   0.776
    9   1HE   MET   1          1HE       MET   1 -12.482  23.830  -1.769
   10   2HE   MET   1          2HE       MET   1 -13.874  23.236  -2.669
   11   3HE   MET   1          3HE       MET   1 -12.889  22.109  -1.741
   12    H    LYS   2           H        LYS   2 -10.654  20.950   3.223
   13    HA   LYS   2           HA       LYS   2  -9.079  23.320   4.120
   14   1HB   LYS   2          2HB       LYS   2  -8.742  20.333   4.065
   15   2HB   LYS   2          1HB       LYS   2  -7.316  21.362   4.201
   16   1HG   LYS   2          2HG       LYS   2  -7.819  21.141   6.442
   17   2HG   LYS   2          1HG       LYS   2  -8.813  22.548   6.068
   18   1HD   LYS   2          2HD       LYS   2 -10.287  21.085   7.205
   19   2HD   LYS   2          1HD       LYS   2 -10.675  20.850   5.501
   20   1HE   LYS   2          2HE       LYS   2  -8.654  19.009   5.886
   21   2HE   LYS   2          1HE       LYS   2  -9.519  18.963   7.435
   22   1HZ   LYS   2          1HZ       LYS   2 -10.763  18.776   4.742
   23   2HZ   LYS   2          2HZ       LYS   2 -11.609  18.793   6.215
   24   3HZ   LYS   2          3HZ       LYS   2 -10.580  17.494   5.838
   25    H    LYS   3           H        LYS   3  -8.492  24.548   2.347
   26    HA   LYS   3           HA       LYS   3  -8.098  23.492  -0.305
   27   1HB   LYS   3          2HB       LYS   3  -8.694  25.878   0.614
   28   2HB   LYS   3          1HB       LYS   3  -6.944  26.082   0.697
   29   1HG   LYS   3          2HG       LYS   3  -7.048  25.111  -1.769
   30   2HG   LYS   3          1HG       LYS   3  -8.698  25.731  -1.703
   31   1HD   LYS   3          2HD       LYS   3  -8.020  27.925  -1.595
   32   2HD   LYS   3          1HD       LYS   3  -6.537  27.533  -0.724
   33   1HE   LYS   3          2HE       LYS   3  -5.721  26.439  -2.904
   34   2HE   LYS   3          1HE       LYS   3  -7.077  27.273  -3.692
   35   1HZ   LYS   3          1HZ       LYS   3  -4.952  28.532  -2.036
   36   2HZ   LYS   3          2HZ       LYS   3  -6.308  29.349  -2.656
   37   3HZ   LYS   3          3HZ       LYS   3  -5.147  28.698  -3.712
   38    H    LYS   4           H        LYS   4  -6.538  21.733   0.673
   39    HA   LYS   4           HA       LYS   4  -3.868  22.451   1.439
   40   1HB   LYS   4          2HB       LYS   4  -5.022  19.925   0.210
   41   2HB   LYS   4          1HB       LYS   4  -3.469  20.026   1.039
   42   1HG   LYS   4          2HG       LYS   4  -5.137  21.153   2.898
   43   2HG   LYS   4          1HG       LYS   4  -6.201  19.953   2.163
   44   1HD   LYS   4          2HD       LYS   4  -5.173  18.668   3.804
   45   2HD   LYS   4          1HD       LYS   4  -4.095  18.379   2.438
   46   1HE   LYS   4          2HE       LYS   4  -2.419  19.776   3.290
   47   2HE   LYS   4          1HE       LYS   4  -3.561  20.696   4.289
   48   1HZ   LYS   4          1HZ       LYS   4  -3.959  18.692   5.599
   49   2HZ   LYS   4          2HZ       LYS   4  -2.320  19.137   5.652
   50   3HZ   LYS   4          3HZ       LYS   4  -2.821  17.842   4.672
   51    H    ASP   5           H        ASP   5  -2.786  20.424  -0.760
   52    HA   ASP   5           HA       ASP   5  -2.973  21.850  -3.275
   53   1HB   ASP   5          2HB       ASP   5  -1.044  22.656  -1.206
   54   2HB   ASP   5          1HB       ASP   5  -0.274  22.288  -2.749
   55    HA   PRO   6           HA       PRO   6  -1.049  18.137  -4.706
   56   1HB   PRO   6          2HB       PRO   6   0.846  18.927  -6.523
   57   2HB   PRO   6          1HB       PRO   6  -0.897  19.000  -6.853
   58   1HG   PRO   6          2HG       PRO   6   0.961  21.174  -6.013
   59   2HG   PRO   6          1HG       PRO   6  -0.353  21.210  -7.201
   60   1HD   PRO   6          2HD       PRO   6  -0.615  22.218  -4.702
   61   2HD   PRO   6          1HD       PRO   6  -1.975  21.505  -5.598
   62    H    ASN   7           H        ASN   7   1.251  20.659  -3.829
   63    HA   ASN   7           HA       ASN   7   3.497  18.880  -3.387
   64   1HB   ASN   7          2HB       ASN   7   4.511  20.941  -2.443
   65   2HB   ASN   7          1HB       ASN   7   3.705  21.252  -3.980
   66   1HD2  ASN   7          1HD2      ASN   7   2.349  23.045  -3.947
   67   2HD2  ASN   7          2HD2      ASN   7   1.592  23.674  -2.562
   68    H    ALA   8           H        ALA   8   0.720  18.962  -1.587
   69    HA   ALA   8           HA       ALA   8   2.067  18.748   1.060
   70   1HB   ALA   8          1HB       ALA   8  -0.846  18.760   0.182
   71   2HB   ALA   8          2HB       ALA   8   0.038  20.146   0.823
   72   3HB   ALA   8          3HB       ALA   8  -0.295  18.758   1.857
   73    HA   PRO   9           HA       PRO   9   1.722  14.348   0.649
   74   1HB   PRO   9          2HB       PRO   9   1.920  13.564   3.252
   75   2HB   PRO   9          1HB       PRO   9   3.289  14.211   2.332
   76   1HG   PRO   9          2HG       PRO   9   1.688  15.473   4.451
   77   2HG   PRO   9          1HG       PRO   9   3.348  15.799   3.940
   78   1HD   PRO   9          2HD       PRO   9   1.030  17.301   3.301
   79   2HD   PRO   9          1HD       PRO   9   2.668  17.521   2.650
   80    H    LYS  10           H        LYS  10  -0.872  15.592   0.619
   81    HA   LYS  10           HA       LYS  10  -2.848  14.903   2.379
   82   1HB   LYS  10          2HB       LYS  10  -2.564  15.445  -0.428
   83   2HB   LYS  10          1HB       LYS  10  -3.818  14.229  -0.207
   84   1HG   LYS  10          2HG       LYS  10  -5.185  15.657   0.974
   85   2HG   LYS  10          1HG       LYS  10  -3.833  16.581   1.628
   86   1HD   LYS  10          2HD       LYS  10  -4.987  17.967   0.008
   87   2HD   LYS  10          1HD       LYS  10  -3.424  17.499  -0.668
   88   1HE   LYS  10          2HE       LYS  10  -4.512  15.691  -1.957
   89   2HE   LYS  10          1HE       LYS  10  -6.085  16.152  -1.275
   90   1HZ   LYS  10          1HZ       LYS  10  -4.292  17.820  -2.953
   91   2HZ   LYS  10          2HZ       LYS  10  -5.625  18.445  -2.104
   92   3HZ   LYS  10          3HZ       LYS  10  -5.859  17.294  -3.332
   93    H    ARG  11           H        ARG  11  -3.955  13.117   3.032
   94    HA   ARG  11           HA       ARG  11  -4.384  10.839   3.473
   95   1HB   ARG  11          2HB       ARG  11  -5.263  11.431   1.099
   96   2HB   ARG  11          1HB       ARG  11  -3.905  10.458   0.526
   97   1HG   ARG  11          2HG       ARG  11  -5.521   8.810   0.708
   98   2HG   ARG  11          1HG       ARG  11  -4.821   8.736   2.326
   99   1HD   ARG  11          2HD       ARG  11  -6.621  10.524   2.945
  100   2HD   ARG  11          1HD       ARG  11  -7.432   9.976   1.462
  101    HE   ARG  11           HE       ARG  11  -6.979   7.596   2.548
  102   1HH1  ARG  11          1HH2      ARG  11  -6.454   9.674   4.969
  103   2HH1  ARG  11          2HH2      ARG  11  -7.852   9.290   5.918
  104   1HH2  ARG  11          1HH1      ARG  11  -9.386   7.461   3.403
  105   2HH2  ARG  11          2HH1      ARG  11  -9.512   8.038   5.031
  106    HA   PRO  12           HA       PRO  12  -0.069   9.367   3.439
  107   1HB   PRO  12          2HB       PRO  12  -0.182   8.109   5.865
  108   2HB   PRO  12          1HB       PRO  12   0.144   9.845   5.696
  109   1HG   PRO  12          2HG       PRO  12  -2.362   8.459   6.467
  110   2HG   PRO  12          1HG       PRO  12  -1.699   9.999   7.027
  111   1HD   PRO  12          2HD       PRO  12  -3.737   9.753   5.195
  112   2HD   PRO  12          1HD       PRO  12  -2.682  11.176   5.347
  113    HA   PRO  13           HA       PRO  13  -1.652   5.389   2.111
  114   1HB   PRO  13          2HB       PRO  13   0.657   4.391   1.048
  115   2HB   PRO  13          1HB       PRO  13  -0.332   5.616   0.229
  116   1HG   PRO  13          2HG       PRO  13   2.232   5.915   1.664
  117   2HG   PRO  13          1HG       PRO  13   1.576   6.842   0.308
  118   1HD   PRO  13          2HD       PRO  13   1.611   7.636   2.992
  119   2HD   PRO  13          1HD       PRO  13   0.660   8.383   1.693
  120    H    SER  14           H        SER  14  -1.412   3.135   2.783
  121    HA   SER  14           HA       SER  14   0.693   2.439   4.729
  122   1HB   SER  14          2HB       SER  14  -1.153   3.813   5.865
  123   2HB   SER  14          1HB       SER  14  -2.211   2.434   5.581
  124    HG   SER  14           HG       SER  14  -1.047   2.501   7.652
  125    H    ALA  15           H        ALA  15   0.235   1.175   2.294
  126    HA   ALA  15           HA       ALA  15   0.047  -0.986   1.435
  127   1HB   ALA  15          1HB       ALA  15  -1.081  -2.310   3.777
  128   2HB   ALA  15          2HB       ALA  15   0.321  -1.332   4.207
  129   3HB   ALA  15          3HB       ALA  15   0.468  -2.589   2.979
  130    H    PHE  16           H        PHE  16  -2.630  -1.047   3.831
  131    HA   PHE  16           HA       PHE  16  -4.615  -2.167   2.253
  132   1HB   PHE  16          2HB       PHE  16  -4.625  -1.456   4.695
  133   2HB   PHE  16          1HB       PHE  16  -5.038   0.165   4.132
  134    HD1  PHE  16           1HD      PHE  16  -6.099  -3.347   3.319
  135    HD2  PHE  16           2HD      PHE  16  -7.306   0.669   4.237
  136    HE1  PHE  16           1HE      PHE  16  -8.477  -4.018   3.116
  137    HE2  PHE  16           2HE      PHE  16  -9.686   0.000   4.036
  138    HZ   PHE  16           HZ       PHE  16 -10.270  -2.344   3.474
  139    H    PHE  17           H        PHE  17  -4.098   1.368   2.590
  140    HA   PHE  17           HA       PHE  17  -6.030   2.249   0.712
  141   1HB   PHE  17          2HB       PHE  17  -4.647   3.597   2.349
  142   2HB   PHE  17          1HB       PHE  17  -3.288   3.441   1.235
  143    HD1  PHE  17           1HD      PHE  17  -6.814   4.647   1.474
  144    HD2  PHE  17           2HD      PHE  17  -3.077   4.876  -0.631
  145    HE1  PHE  17           1HE      PHE  17  -7.678   6.558   0.150
  146    HE2  PHE  17           2HE      PHE  17  -3.940   6.787  -1.954
  147    HZ   PHE  17           HZ       PHE  17  -6.240   7.629  -1.564
  148    H    LEU  18           H        LEU  18  -2.638   1.276   0.203
  149    HA   LEU  18           HA       LEU  18  -2.445   1.906  -2.576
  150   1HB   LEU  18          2HB       LEU  18  -1.130  -0.340  -1.006
  151   2HB   LEU  18          1HB       LEU  18  -0.531   0.363  -2.503
  152    HG   LEU  18           HG       LEU  18  -0.782   1.772   0.179
  153   1HD1  LEU  18          1HD1      LEU  18   1.749   2.008  -0.293
  154   2HD1  LEU  18          2HD1      LEU  18   1.508   0.721  -1.474
  155   3HD1  LEU  18          3HD1      LEU  18   1.155   0.432   0.230
  156   1HD2  LEU  18          1HD2      LEU  18   0.371   3.656  -1.047
  157   2HD2  LEU  18          2HD2      LEU  18  -1.286   3.374  -1.581
  158   3HD2  LEU  18          3HD2      LEU  18   0.066   2.793  -2.554
  159    H    PHE  19           H        PHE  19  -3.505  -1.054  -0.892
  160    HA   PHE  19           HA       PHE  19  -3.963  -2.573  -3.334
  161   1HB   PHE  19          2HB       PHE  19  -3.438  -3.511  -1.075
  162   2HB   PHE  19          1HB       PHE  19  -5.009  -2.946  -0.507
  163    HD1  PHE  19           1HD      PHE  19  -7.053  -4.067  -1.127
  164    HD2  PHE  19           2HD      PHE  19  -3.291  -5.289  -2.801
  165    HE1  PHE  19           1HE      PHE  19  -8.116  -6.124  -2.017
  166    HE2  PHE  19           2HE      PHE  19  -4.353  -7.345  -3.690
  167    HZ   PHE  19           HZ       PHE  19  -6.766  -7.763  -3.297
  168    H    CYS  20           H        CYS  20  -6.182  -1.132  -0.910
  169    HA   CYS  20           HA       CYS  20  -8.634  -1.635  -2.228
  170   1HB   CYS  20          2HB       CYS  20  -7.565   0.380  -0.285
  171   2HB   CYS  20          1HB       CYS  20  -9.176   0.643  -0.952
  172    HG   CYS  20           HG       CYS  20  -8.468  -1.444   1.123
  173    H    SER  21           H        SER  21  -6.733   1.403  -2.336
  174    HA   SER  21           HA       SER  21  -8.241   2.802  -4.267
  175   1HB   SER  21          2HB       SER  21  -6.238   4.130  -4.512
  176   2HB   SER  21          1HB       SER  21  -6.292   3.575  -2.841
  177    HG   SER  21           HG       SER  21  -4.567   2.417  -3.189
  178    H    GLU  22           H        GLU  22  -5.896   0.206  -4.715
  179    HA   GLU  22           HA       GLU  22  -5.819   0.541  -7.641
  180   1HB   GLU  22          2HB       GLU  22  -4.523  -1.132  -5.539
  181   2HB   GLU  22          1HB       GLU  22  -4.470  -1.702  -7.205
  182   1HG   GLU  22          2HG       GLU  22  -3.588   1.057  -6.304
  183   2HG   GLU  22          1HG       GLU  22  -2.493  -0.295  -6.594
  184    H    TYR  23           H        TYR  23  -7.331  -1.594  -5.244
  185    HA   TYR  23           HA       TYR  23  -8.431  -3.348  -7.371
  186   1HB   TYR  23          2HB       TYR  23  -8.091  -3.365  -4.405
  187   2HB   TYR  23          1HB       TYR  23  -9.387  -4.348  -5.082
  188    HD1  TYR  23           1HD      TYR  23  -5.736  -3.618  -5.456
  189    HD2  TYR  23           2HD      TYR  23  -8.915  -6.450  -6.029
  190    HE1  TYR  23           1HE      TYR  23  -4.082  -5.338  -6.130
  191    HE2  TYR  23           2HE      TYR  23  -7.260  -8.171  -6.702
  192    HH   TYR  23           HH       TYR  23  -4.410  -8.330  -6.056
  193    H    ARG  24           H        ARG  24  -9.364  -0.395  -6.488
  194    HA   ARG  24           HA       ARG  24 -12.174  -0.932  -5.832
  195   1HB   ARG  24          2HB       ARG  24 -10.342   1.412  -6.013
  196   2HB   ARG  24          1HB       ARG  24 -12.078   1.694  -6.163
  197   1HG   ARG  24          2HG       ARG  24 -12.538   0.835  -4.022
  198   2HG   ARG  24          1HG       ARG  24 -10.988   0.000  -3.925
  199   1HD   ARG  24          2HD       ARG  24  -9.819   1.952  -3.396
  200   2HD   ARG  24          1HD       ARG  24 -11.020   3.000  -4.176
  201    HE   ARG  24           HE       ARG  24 -11.767   1.448  -1.736
  202   1HH1  ARG  24          1HH1      ARG  24 -10.237   4.269  -1.952
  203   2HH1  ARG  24          2HH1      ARG  24 -11.541   5.295  -1.456
  204   1HH2  ARG  24          1HH2      ARG  24 -13.950   2.819  -1.748
  205   2HH2  ARG  24          2HH2      ARG  24 -13.643   4.474  -1.342
  206    HA   PRO  25           HA       PRO  25 -12.694   1.088 -10.189
  207   1HB   PRO  25          2HB       PRO  25 -10.652   0.747 -11.980
  208   2HB   PRO  25          1HB       PRO  25 -10.839   2.193 -10.967
  209   1HG   PRO  25          2HG       PRO  25  -9.050  -0.152 -10.607
  210   2HG   PRO  25          1HG       PRO  25  -8.738   1.565 -10.307
  211   1HD   PRO  25          2HD       PRO  25  -9.280  -0.211  -8.353
  212   2HD   PRO  25          1HD       PRO  25  -9.698   1.509  -8.222
  213    H    LYS  26           H        LYS  26 -11.124  -1.913  -9.471
  214    HA   LYS  26           HA       LYS  26 -11.942  -3.397 -11.838
  215   1HB   LYS  26          2HB       LYS  26 -10.116  -3.953 -10.141
  216   2HB   LYS  26          1HB       LYS  26 -11.411  -4.361  -9.011
  217   1HG   LYS  26          2HG       LYS  26 -11.377  -5.599 -11.753
  218   2HG   LYS  26          1HG       LYS  26 -10.352  -6.262 -10.478
  219   1HD   LYS  26          2HD       LYS  26 -12.532  -6.201  -9.038
  220   2HD   LYS  26          1HD       LYS  26 -13.354  -6.110 -10.595
  221   1HE   LYS  26          2HE       LYS  26 -13.237  -8.436 -10.221
  222   2HE   LYS  26          1HE       LYS  26 -11.796  -8.149 -11.216
  223   1HZ   LYS  26          1HZ       LYS  26 -10.503  -7.850  -9.194
  224   2HZ   LYS  26          2HZ       LYS  26 -11.228  -9.387  -9.213
  225   3HZ   LYS  26          3HZ       LYS  26 -11.875  -8.151  -8.243
  226    H    ILE  27           H        ILE  27 -13.123  -3.156  -8.487
  227    HA   ILE  27           HA       ILE  27 -15.440  -4.742  -8.592
  228    HB   ILE  27           HB       ILE  27 -15.078  -2.054  -7.213
  229   1HG1  ILE  27          2HG1      ILE  27 -13.163  -3.434  -6.628
  230   2HG1  ILE  27          1HG1      ILE  27 -14.266  -3.406  -5.264
  231   1HG2  ILE  27          1HG2      ILE  27 -16.571  -3.112  -5.491
  232   2HG2  ILE  27          2HG2      ILE  27 -16.822  -4.450  -6.611
  233   3HG2  ILE  27          3HG2      ILE  27 -17.349  -2.825  -7.046
  234   1HD1  ILE  27          1HD1      ILE  27 -13.639  -5.673  -5.491
  235   2HD1  ILE  27          2HD1      ILE  27 -13.823  -5.631  -7.244
  236   3HD1  ILE  27          3HD1      ILE  27 -15.248  -5.570  -6.206
  237    H    LYS  28           H        LYS  28 -14.908  -1.460  -9.725
  238    HA   LYS  28           HA       LYS  28 -17.687  -0.800 -10.152
  239   1HB   LYS  28          2HB       LYS  28 -15.482   0.506 -11.725
  240   2HB   LYS  28          1HB       LYS  28 -16.886   1.236 -10.962
  241   1HG   LYS  28          2HG       LYS  28 -14.298   0.376  -9.704
  242   2HG   LYS  28          1HG       LYS  28 -15.005   1.974  -9.713
  243   1HD   LYS  28          2HD       LYS  28 -16.000  -0.436  -8.153
  244   2HD   LYS  28          1HD       LYS  28 -15.233   1.005  -7.498
  245   1HE   LYS  28          2HE       LYS  28 -17.783   1.186  -9.126
  246   2HE   LYS  28          1HE       LYS  28 -17.804   0.943  -7.368
  247   1HZ   LYS  28          1HZ       LYS  28 -17.799   3.289  -7.812
  248   2HZ   LYS  28          2HZ       LYS  28 -16.456   3.143  -8.842
  249   3HZ   LYS  28          3HZ       LYS  28 -16.285   2.863  -7.175
  250    H    SER  29           H        SER  29 -15.142  -2.123 -12.243
  251    HA   SER  29           HA       SER  29 -16.481  -1.942 -14.748
  252   1HB   SER  29          2HB       SER  29 -14.077  -2.571 -14.224
  253   2HB   SER  29          1HB       SER  29 -14.666  -4.170 -13.782
  254    HG   SER  29           HG       SER  29 -15.129  -4.580 -15.834
  255    H    GLU  30           H        GLU  30 -16.983  -4.117 -12.044
  256    HA   GLU  30           HA       GLU  30 -18.913  -5.716 -13.694
  257   1HB   GLU  30          2HB       GLU  30 -16.840  -6.319 -11.693
  258   2HB   GLU  30          1HB       GLU  30 -18.366  -7.145 -11.391
  259   1HG   GLU  30          2HG       GLU  30 -17.072  -7.132 -14.121
  260   2HG   GLU  30          1HG       GLU  30 -16.691  -8.359 -12.911
  261    H    HIS  31           H        HIS  31 -18.534  -3.690 -10.873
  262    HA   HIS  31           HA       HIS  31 -21.402  -4.213 -10.152
  263   1HB   HIS  31          2HB       HIS  31 -19.164  -3.267  -8.330
  264   2HB   HIS  31          1HB       HIS  31 -20.777  -3.772  -7.849
  265    HD1  HIS  31           1HD      HIS  31 -17.426  -5.087  -8.755
  266    HD2  HIS  31           2HD      HIS  31 -21.232  -6.631  -8.043
  267    HE1  HIS  31           1HE      HIS  31 -17.143  -7.585  -8.480
  268    HA   PRO  32           HA       PRO  32 -21.168   0.162 -11.433
  269   1HB   PRO  32          2HB       PRO  32 -23.757   0.332 -12.301
  270   2HB   PRO  32          1HB       PRO  32 -22.437  -0.288 -13.304
  271   1HG   PRO  32          2HG       PRO  32 -24.555  -1.762 -11.855
  272   2HG   PRO  32          1HG       PRO  32 -23.765  -2.135 -13.393
  273   1HD   PRO  32          2HD       PRO  32 -23.189  -3.357 -10.990
  274   2HD   PRO  32          1HD       PRO  32 -22.101  -3.305 -12.393
  275    H    GLY  33           H        GLY  33 -23.654  -1.510  -9.561
  276   1HA   GLY  33          2HA       GLY  33 -24.627   0.928  -8.281
  277   2HA   GLY  33          1HA       GLY  33 -25.084  -0.720  -7.862
  278    H    LEU  34           H        LEU  34 -21.910  -1.097  -7.807
  279    HA   LEU  34           HA       LEU  34 -21.619  -1.102  -4.965
  280   1HB   LEU  34          2HB       LEU  34 -20.138  -1.775  -7.338
  281   2HB   LEU  34          1HB       LEU  34 -19.076  -0.880  -6.260
  282    HG   LEU  34           HG       LEU  34 -19.019  -3.345  -5.862
  283   1HD1  LEU  34          1HD1      LEU  34 -18.325  -2.278  -3.956
  284   2HD1  LEU  34          2HD1      LEU  34 -19.783  -3.034  -3.319
  285   3HD1  LEU  34          3HD1      LEU  34 -19.810  -1.339  -3.806
  286   1HD2  LEU  34          1HD2      LEU  34 -20.890  -4.586  -5.489
  287   2HD2  LEU  34          2HD2      LEU  34 -21.754  -3.225  -6.202
  288   3HD2  LEU  34          3HD2      LEU  34 -21.611  -3.356  -4.450
  289    H    SER  35           H        SER  35 -22.374   1.136  -4.431
  290    HA   SER  35           HA       SER  35 -20.817   3.464  -5.239
  291   1HB   SER  35          2HB       SER  35 -23.192   3.556  -4.595
  292   2HB   SER  35          1HB       SER  35 -22.793   2.959  -2.986
  293    HG   SER  35           HG       SER  35 -23.012   5.310  -3.242
  294    H    ILE  36           H        ILE  36 -19.931   4.881  -3.255
  295    HA   ILE  36           HA       ILE  36 -17.583   3.724  -2.231
  296    HB   ILE  36           HB       ILE  36 -19.345   5.942  -1.136
  297   1HG1  ILE  36          2HG1      ILE  36 -18.544   6.290  -3.448
  298   2HG1  ILE  36          1HG1      ILE  36 -17.759   7.411  -2.339
  299   1HG2  ILE  36          1HG2      ILE  36 -17.115   6.727  -0.129
  300   2HG2  ILE  36          2HG2      ILE  36 -16.528   5.090  -0.430
  301   3HG2  ILE  36          3HG2      ILE  36 -17.891   5.352   0.659
  302   1HD1  ILE  36          1HD1      ILE  36 -16.033   6.541  -3.764
  303   2HD1  ILE  36          2HD1      ILE  36 -16.595   4.885  -3.538
  304   3HD1  ILE  36          3HD1      ILE  36 -15.836   5.747  -2.201
  305    H    GLY  37           H        GLY  37 -20.825   3.787  -0.767
  306   1HA   GLY  37          2HA       GLY  37 -20.187   2.823   1.814
  307   2HA   GLY  37          1HA       GLY  37 -21.720   2.516   0.996
  308    H    ASP  38           H        ASP  38 -21.545   0.776  -0.781
  309    HA   ASP  38           HA       ASP  38 -20.646  -1.700   0.390
  310   1HB   ASP  38          2HB       ASP  38 -21.622  -0.804  -2.326
  311   2HB   ASP  38          1HB       ASP  38 -21.188  -2.484  -2.012
  312    H    THR  39           H        THR  39 -19.125   0.570  -1.869
  313    HA   THR  39           HA       THR  39 -17.075  -1.225  -2.837
  314    HB   THR  39           HB       THR  39 -17.176   1.796  -2.564
  315    HG1  THR  39           1HG      THR  39 -17.915   1.704  -4.647
  316   1HG2  THR  39          1HG2      THR  39 -15.478   1.652  -4.471
  317   2HG2  THR  39          2HG2      THR  39 -15.287  -0.049  -4.043
  318   3HG2  THR  39          3HG2      THR  39 -14.877   1.206  -2.873
  319    H    ALA  40           H        ALA  40 -17.393   0.736   0.065
  320    HA   ALA  40           HA       ALA  40 -14.601   0.590   0.856
  321   1HB   ALA  40          1HB       ALA  40 -17.210   1.169   2.288
  322   2HB   ALA  40          2HB       ALA  40 -16.036   2.340   1.690
  323   3HB   ALA  40          3HB       ALA  40 -15.634   1.315   3.067
  324    H    LYS  41           H        LYS  41 -17.542  -1.213   1.780
  325    HA   LYS  41           HA       LYS  41 -16.045  -3.024   3.520
  326   1HB   LYS  41          2HB       LYS  41 -18.260  -3.987   3.910
  327   2HB   LYS  41          1HB       LYS  41 -18.347  -2.230   3.970
  328   1HG   LYS  41          2HG       LYS  41 -18.948  -2.441   1.422
  329   2HG   LYS  41          1HG       LYS  41 -19.340  -4.104   1.840
  330   1HD   LYS  41          2HD       LYS  41 -21.348  -2.723   2.034
  331   2HD   LYS  41          1HD       LYS  41 -20.852  -3.272   3.633
  332   1HE   LYS  41          2HE       LYS  41 -19.478  -0.813   3.164
  333   2HE   LYS  41          1HE       LYS  41 -21.176  -0.563   2.709
  334   1HZ   LYS  41          1HZ       LYS  41 -20.200  -1.768   5.245
  335   2HZ   LYS  41          2HZ       LYS  41 -21.834  -1.640   4.794
  336   3HZ   LYS  41          3HZ       LYS  41 -20.915  -0.239   5.076
  337    H    LYS  42           H        LYS  42 -16.873  -3.049   0.108
  338    HA   LYS  42           HA       LYS  42 -16.785  -5.974  -0.147
  339   1HB   LYS  42          2HB       LYS  42 -17.975  -4.085  -1.551
  340   2HB   LYS  42          1HB       LYS  42 -16.444  -4.029  -2.413
  341   1HG   LYS  42          2HG       LYS  42 -17.785  -5.577  -3.604
  342   2HG   LYS  42          1HG       LYS  42 -16.707  -6.582  -2.628
  343   1HD   LYS  42          2HD       LYS  42 -19.189  -5.800  -1.240
  344   2HD   LYS  42          1HD       LYS  42 -19.456  -6.802  -2.663
  345   1HE   LYS  42          2HE       LYS  42 -17.215  -7.847  -1.157
  346   2HE   LYS  42          1HE       LYS  42 -18.629  -7.678  -0.105
  347   1HZ   LYS  42          1HZ       LYS  42 -18.762  -9.771  -1.259
  348   2HZ   LYS  42          2HZ       LYS  42 -18.559  -9.005  -2.761
  349   3HZ   LYS  42          3HZ       LYS  42 -19.970  -8.740  -1.854
  350    H    LEU  43           H        LEU  43 -14.379  -3.790   0.527
  351    HA   LEU  43           HA       LEU  43 -12.355  -5.090  -1.239
  352   1HB   LEU  43          2HB       LEU  43 -12.557  -2.510   0.312
  353   2HB   LEU  43          1HB       LEU  43 -10.995  -3.098  -0.259
  354    HG   LEU  43           HG       LEU  43 -13.378  -2.818  -2.097
  355   1HD1  LEU  43          1HD1      LEU  43 -11.137  -0.810  -1.892
  356   2HD1  LEU  43          2HD1      LEU  43 -12.596  -0.643  -0.914
  357   3HD1  LEU  43          3HD1      LEU  43 -12.708  -0.631  -2.674
  358   1HD2  LEU  43          1HD2      LEU  43 -10.378  -3.009  -2.523
  359   2HD2  LEU  43          2HD2      LEU  43 -11.559  -2.757  -3.809
  360   3HD2  LEU  43          3HD2      LEU  43 -11.566  -4.261  -2.887
  361    H    GLY  44           H        GLY  44 -13.329  -4.562   2.106
  362   1HA   GLY  44          2HA       GLY  44 -10.909  -5.526   3.344
  363   2HA   GLY  44          1HA       GLY  44 -12.483  -5.400   4.130
  364    H    GLU  45           H        GLU  45 -13.921  -7.091   2.306
  365    HA   GLU  45           HA       GLU  45 -13.709  -9.631   3.464
  366   1HB   GLU  45          2HB       GLU  45 -15.504  -8.666   1.955
  367   2HB   GLU  45          1HB       GLU  45 -14.462  -9.053   0.585
  368   1HG   GLU  45          2HG       GLU  45 -14.425 -11.437   1.348
  369   2HG   GLU  45          1HG       GLU  45 -15.589 -11.013   2.604
  370    H    MET  46           H        MET  46 -11.936  -8.371   0.653
  371    HA   MET  46           HA       MET  46 -10.601 -10.957   0.157
  372   1HB   MET  46          2HB       MET  46 -10.539  -8.174  -1.028
  373   2HB   MET  46          1HB       MET  46  -9.425  -9.432  -1.564
  374   1HG   MET  46          2HG       MET  46 -11.481 -10.903  -1.935
  375   2HG   MET  46          1HG       MET  46 -12.443  -9.440  -1.723
  376   1HE   MET  46          1HE       MET  46 -11.945  -7.300  -4.674
  377   2HE   MET  46          2HE       MET  46 -11.257  -7.066  -3.068
  378   3HE   MET  46          3HE       MET  46 -12.866  -7.763  -3.237
  379    H    TRP  47           H        TRP  47  -9.807  -7.733   1.430
  380    HA   TRP  47           HA       TRP  47  -7.009  -7.975   1.727
  381   1HB   TRP  47          2HB       TRP  47  -8.404  -5.940   2.077
  382   2HB   TRP  47          1HB       TRP  47  -9.008  -6.638   3.580
  383    HD1  TRP  47           HD       TRP  47  -7.741  -5.892   5.642
  384    HE1  TRP  47           1HE      TRP  47  -5.354  -5.064   6.153
  385    HE3  TRP  47           3HE      TRP  47  -5.668  -6.243   0.987
  386    HZ2  TRP  47           2HZ      TRP  47  -2.890  -4.611   4.771
  387    HZ3  TRP  47           3HZ      TRP  47  -3.302  -5.608   0.614
  388    HH2  TRP  47           HH       TRP  47  -1.912  -4.793   2.497
  389    H    SER  48           H        SER  48  -9.598  -9.345   3.744
  390    HA   SER  48           HA       SER  48  -7.707 -10.193   5.841
  391   1HB   SER  48          2HB       SER  48  -9.994  -9.413   6.339
  392   2HB   SER  48          1HB       SER  48 -10.660 -10.701   5.341
  393    HG   SER  48           HG       SER  48  -9.564 -10.777   7.882
  394    H    GLU  49           H        GLU  49  -9.462 -11.589   3.102
  395    HA   GLU  49           HA       GLU  49  -9.042 -14.364   3.694
  396   1HB   GLU  49          2HB       GLU  49  -9.510 -12.717   1.206
  397   2HB   GLU  49          1HB       GLU  49  -9.298 -14.465   1.106
  398   1HG   GLU  49          2HG       GLU  49 -11.295 -13.201   2.988
  399   2HG   GLU  49          1HG       GLU  49 -11.710 -13.622   1.326
  400    H    GLN  50           H        GLN  50  -7.065 -11.949   2.004
  401    HA   GLN  50           HA       GLN  50  -5.058 -13.660   0.927
  402   1HB   GLN  50          2HB       GLN  50  -5.008 -10.813   1.974
  403   2HB   GLN  50          1HB       GLN  50  -3.689 -11.533   1.049
  404   1HG   GLN  50          2HG       GLN  50  -6.462 -11.710  -0.065
  405   2HG   GLN  50          1HG       GLN  50  -5.617 -10.165  -0.167
  406   1HE2  GLN  50          1HE2      GLN  50  -4.893 -10.086  -2.320
  407   2HE2  GLN  50          2HE2      GLN  50  -3.986 -11.309  -3.070
  408    H    SER  51           H        SER  51  -3.030 -14.320   1.774
  409    HA   SER  51           HA       SER  51  -2.942 -14.610   4.727
  410   1HB   SER  51          2HB       SER  51  -1.274 -16.309   4.191
  411   2HB   SER  51          1HB       SER  51  -2.638 -16.506   3.094
  412    HG   SER  51           HG       SER  51  -0.064 -15.492   2.621
  413    H    ALA  52           H        ALA  52  -0.003 -14.851   4.745
  414    HA   ALA  52           HA       ALA  52   0.662 -12.003   5.055
  415   1HB   ALA  52          1HB       ALA  52   2.135 -14.619   5.494
  416   2HB   ALA  52          2HB       ALA  52   1.364 -13.616   6.723
  417   3HB   ALA  52          3HB       ALA  52   2.812 -13.041   5.896
  418    H    LYS  53           H        LYS  53   0.181 -12.244   2.403
  419    HA   LYS  53           HA       LYS  53   2.913 -12.208   1.177
  420   1HB   LYS  53          2HB       LYS  53   0.376 -13.585   0.266
  421   2HB   LYS  53          1HB       LYS  53   1.720 -13.271  -0.833
  422   1HG   LYS  53          2HG       LYS  53   3.227 -14.587   0.531
  423   2HG   LYS  53          1HG       LYS  53   1.999 -14.773   1.784
  424   1HD   LYS  53          2HD       LYS  53   1.854 -16.799   0.601
  425   2HD   LYS  53          1HD       LYS  53   0.559 -15.834  -0.109
  426   1HE   LYS  53          2HE       LYS  53   1.983 -15.228  -2.001
  427   2HE   LYS  53          1HE       LYS  53   3.358 -16.079  -1.270
  428   1HZ   LYS  53          1HZ       LYS  53   0.748 -17.304  -1.997
  429   2HZ   LYS  53          2HZ       LYS  53   2.052 -18.116  -1.270
  430   3HZ   LYS  53          3HZ       LYS  53   2.201 -17.507  -2.850
  431    H    ASP  54           H        ASP  54  -0.524 -11.301   0.804
  432    HA   ASP  54           HA       ASP  54  -0.183  -9.409  -1.315
  433   1HB   ASP  54          2HB       ASP  54  -2.292 -10.504  -0.286
  434   2HB   ASP  54          1HB       ASP  54  -2.214  -9.214   0.914
  435    H    LYS  55           H        LYS  55   0.152  -9.092   2.210
  436    HA   LYS  55           HA       LYS  55   0.631  -6.174   1.943
  437   1HB   LYS  55          2HB       LYS  55  -0.855  -7.298   3.687
  438   2HB   LYS  55          1HB       LYS  55   0.625  -7.906   4.425
  439   1HG   LYS  55          2HG       LYS  55   0.907  -5.081   3.891
  440   2HG   LYS  55          1HG       LYS  55  -0.581  -5.360   4.791
  441   1HD   LYS  55          2HD       LYS  55   0.821  -6.828   6.359
  442   2HD   LYS  55          1HD       LYS  55   2.236  -6.122   5.577
  443   1HE   LYS  55          2HE       LYS  55   1.867  -4.695   7.437
  444   2HE   LYS  55          1HE       LYS  55   1.077  -3.828   6.103
  445   1HZ   LYS  55          1HZ       LYS  55  -0.282  -5.767   7.901
  446   2HZ   LYS  55          2HZ       LYS  55  -1.011  -4.846   6.673
  447   3HZ   LYS  55          3HZ       LYS  55  -0.385  -4.082   8.055
  448    H    GLN  56           H        GLN  56   2.601  -8.445   1.095
  449    HA   GLN  56           HA       GLN  56   4.843  -7.923   2.964
  450   1HB   GLN  56          2HB       GLN  56   4.085  -9.908   0.931
  451   2HB   GLN  56          1HB       GLN  56   5.794  -9.479   0.884
  452   1HG   GLN  56          2HG       GLN  56   4.404 -10.164   3.477
  453   2HG   GLN  56          1HG       GLN  56   5.120 -11.409   2.452
  454   1HE2  GLN  56          1HE2      GLN  56   7.517 -10.944   1.826
  455   2HE2  GLN  56          2HE2      GLN  56   8.497 -10.248   3.024
  456    HA   PRO  57           HA       PRO  57   6.665  -5.914  -0.904
  457   1HB   PRO  57          2HB       PRO  57   5.360  -5.949  -3.284
  458   2HB   PRO  57          1HB       PRO  57   6.397  -7.286  -2.746
  459   1HG   PRO  57          2HG       PRO  57   3.458  -7.083  -2.808
  460   2HG   PRO  57          1HG       PRO  57   4.492  -8.501  -3.011
  461   1HD   PRO  57          2HD       PRO  57   3.080  -7.807  -0.707
  462   2HD   PRO  57          1HD       PRO  57   4.404  -8.984  -0.813
  463    H    TYR  58           H        TYR  58   3.171  -5.638  -0.639
  464    HA   TYR  58           HA       TYR  58   3.042  -2.900  -1.676
  465   1HB   TYR  58          2HB       TYR  58   1.276  -5.085  -0.845
  466   2HB   TYR  58          1HB       TYR  58   0.669  -3.513  -0.335
  467    HD1  TYR  58           1HD      TYR  58   2.010  -5.343  -3.305
  468    HD2  TYR  58           2HD      TYR  58  -0.392  -2.082  -1.879
  469    HE1  TYR  58           1HE      TYR  58   1.254  -4.888  -5.623
  470    HE2  TYR  58           2HE      TYR  58  -1.150  -1.626  -4.195
  471    HH   TYR  58           HH       TYR  58   0.133  -2.278  -6.710
  472    H    GLU  59           H        GLU  59   3.604  -4.316   1.461
  473    HA   GLU  59           HA       GLU  59   2.597  -2.055   3.008
  474   1HB   GLU  59          2HB       GLU  59   3.538  -3.289   4.879
  475   2HB   GLU  59          1HB       GLU  59   2.777  -4.426   3.780
  476   1HG   GLU  59          2HG       GLU  59   4.804  -5.505   4.119
  477   2HG   GLU  59          1HG       GLU  59   5.221  -4.511   2.724
  478    H    GLN  60           H        GLN  60   5.657  -2.852   1.484
  479    HA   GLN  60           HA       GLN  60   7.221  -0.896   2.997
  480   1HB   GLN  60          2HB       GLN  60   8.962  -1.518   1.332
  481   2HB   GLN  60          1HB       GLN  60   8.209  -2.934   2.061
  482   1HG   GLN  60          2HG       GLN  60   6.986  -3.438   0.130
  483   2HG   GLN  60          1HG       GLN  60   7.123  -1.801  -0.508
  484   1HE2  GLN  60          1HE2      GLN  60   9.072  -4.741   0.168
  485   2HE2  GLN  60          2HE2      GLN  60  10.250  -4.418  -1.011
  486    H    LYS  61           H        LYS  61   5.205  -0.826   0.154
  487    HA   LYS  61           HA       LYS  61   6.363   1.447  -1.184
  488   1HB   LYS  61          2HB       LYS  61   4.764  -0.150  -2.194
  489   2HB   LYS  61          1HB       LYS  61   3.515   0.383  -1.069
  490   1HG   LYS  61          2HG       LYS  61   3.436   2.565  -2.042
  491   2HG   LYS  61          1HG       LYS  61   4.913   2.282  -2.965
  492   1HD   LYS  61          2HD       LYS  61   3.691   0.410  -4.158
  493   2HD   LYS  61          1HD       LYS  61   2.213   0.972  -3.373
  494   1HE   LYS  61          2HE       LYS  61   2.186   2.989  -4.569
  495   2HE   LYS  61          1HE       LYS  61   3.928   2.922  -4.907
  496   1HZ   LYS  61          1HZ       LYS  61   1.892   1.029  -5.961
  497   2HZ   LYS  61          2HZ       LYS  61   3.562   0.967  -6.273
  498   3HZ   LYS  61          3HZ       LYS  61   2.633   2.266  -6.854
  499    H    ALA  62           H        ALA  62   3.756   1.150   1.239
  500    HA   ALA  62           HA       ALA  62   3.366   4.050   1.410
  501   1HB   ALA  62          1HB       ALA  62   1.946   3.229   3.405
  502   2HB   ALA  62          2HB       ALA  62   2.382   1.601   2.884
  503   3HB   ALA  62          3HB       ALA  62   1.476   2.661   1.804
  504    H    ALA  63           H        ALA  63   5.552   1.758   2.806
  505    HA   ALA  63           HA       ALA  63   6.012   2.884   5.387
  506   1HB   ALA  63          1HB       ALA  63   8.180   1.693   5.168
  507   2HB   ALA  63          2HB       ALA  63   7.897   1.513   3.437
  508   3HB   ALA  63          3HB       ALA  63   6.844   0.696   4.592
  509    H    LYS  64           H        LYS  64   7.185   3.794   2.158
  510    HA   LYS  64           HA       LYS  64   9.143   5.725   3.155
  511   1HB   LYS  64          2HB       LYS  64   7.837   5.231   0.458
  512   2HB   LYS  64          1HB       LYS  64   9.197   6.324   0.717
  513   1HG   LYS  64          2HG       LYS  64   9.305   3.429   1.569
  514   2HG   LYS  64          1HG       LYS  64   9.764   3.936  -0.057
  515   1HD   LYS  64          2HD       LYS  64  11.399   5.532   0.931
  516   2HD   LYS  64          1HD       LYS  64  10.979   4.934   2.537
  517   1HE   LYS  64          2HE       LYS  64  11.782   2.705   1.984
  518   2HE   LYS  64          1HE       LYS  64  12.059   3.186   0.298
  519   1HZ   LYS  64          1HZ       LYS  64  13.333   4.435   2.677
  520   2HZ   LYS  64          2HZ       LYS  64  13.594   4.882   1.058
  521   3HZ   LYS  64          3HZ       LYS  64  14.096   3.357   1.613
  522    H    LEU  65           H        LEU  65   6.176   6.193   1.197
  523    HA   LEU  65           HA       LEU  65   5.845   8.952   1.503
  524   1HB   LEU  65          2HB       LEU  65   4.031   6.597   1.126
  525   2HB   LEU  65          1HB       LEU  65   3.304   8.185   1.375
  526    HG   LEU  65           HG       LEU  65   5.032   8.949  -0.453
  527   1HD1  LEU  65          1HD1      LEU  65   5.274   7.028  -2.140
  528   2HD1  LEU  65          2HD1      LEU  65   4.875   5.951  -0.801
  529   3HD1  LEU  65          3HD1      LEU  65   6.316   6.964  -0.720
  530   1HD2  LEU  65          1HD2      LEU  65   2.709   7.219  -1.333
  531   2HD2  LEU  65          2HD2      LEU  65   3.337   8.668  -2.118
  532   3HD2  LEU  65          3HD2      LEU  65   2.480   8.799  -0.583
  533    H    LYS  66           H        LYS  66   5.234   6.445   3.888
  534    HA   LYS  66           HA       LYS  66   3.524   7.958   5.657
  535   1HB   LYS  66          2HB       LYS  66   3.840   5.494   5.681
  536   2HB   LYS  66          1HB       LYS  66   5.505   5.721   6.212
  537   1HG   LYS  66          2HG       LYS  66   4.315   5.323   8.217
  538   2HG   LYS  66          1HG       LYS  66   4.488   7.078   8.165
  539   1HD   LYS  66          2HD       LYS  66   2.207   6.761   8.683
  540   2HD   LYS  66          1HD       LYS  66   2.203   7.062   6.945
  541   1HE   LYS  66          2HE       LYS  66   2.087   4.655   6.489
  542   2HE   LYS  66          1HE       LYS  66   2.181   4.304   8.227
  543   1HZ   LYS  66          1HZ       LYS  66   0.085   5.936   6.891
  544   2HZ   LYS  66          2HZ       LYS  66   0.195   5.656   8.563
  545   3HZ   LYS  66          3HZ       LYS  66  -0.123   4.368   7.502
  546    H    GLU  67           H        GLU  67   7.047   7.324   5.681
  547    HA   GLU  67           HA       GLU  67   7.689   8.986   7.922
  548   1HB   GLU  67          2HB       GLU  67   9.139   7.894   5.515
  549   2HB   GLU  67          1HB       GLU  67   9.972   8.987   6.619
  550   1HG   GLU  67          2HG       GLU  67   9.185   7.442   8.505
  551   2HG   GLU  67          1HG       GLU  67   8.758   6.290   7.239
  552    H    LYS  68           H        LYS  68   7.805   9.653   4.405
  553    HA   LYS  68           HA       LYS  68   8.600  12.389   4.563
  554   1HB   LYS  68          2HB       LYS  68   7.091  10.674   2.593
  555   2HB   LYS  68          1HB       LYS  68   7.341  12.391   2.271
  556   1HG   LYS  68          2HG       LYS  68   9.705  12.160   2.272
  557   2HG   LYS  68          1HG       LYS  68   9.628  10.567   3.024
  558   1HD   LYS  68          2HD       LYS  68   8.832   9.542   1.046
  559   2HD   LYS  68          1HD       LYS  68   8.381  11.088   0.326
  560   1HE   LYS  68          2HE       LYS  68  10.422  10.446  -0.763
  561   2HE   LYS  68          1HE       LYS  68  10.898  11.671   0.429
  562   1HZ   LYS  68          1HZ       LYS  68  12.290   9.692   0.614
  563   2HZ   LYS  68          2HZ       LYS  68  10.912   8.731   0.872
  564   3HZ   LYS  68          3HZ       LYS  68  11.357   9.908   2.015
  565    H    TYR  69           H        TYR  69   5.478  10.840   5.028
  566    HA   TYR  69           HA       TYR  69   3.869  13.261   4.807
  567   1HB   TYR  69          2HB       TYR  69   3.016  10.957   4.456
  568   2HB   TYR  69          1HB       TYR  69   3.385  10.563   6.131
  569    HD1  TYR  69           1HD      TYR  69   2.223  11.951   7.979
  570    HD2  TYR  69           2HD      TYR  69   0.952  11.942   3.876
  571    HE1  TYR  69           1HE      TYR  69   0.010  12.822   8.665
  572    HE2  TYR  69           2HE      TYR  69  -1.266  12.814   4.567
  573    HH   TYR  69           HH       TYR  69  -2.630  12.633   7.012
  574    H    GLU  70           H        GLU  70   4.526  11.184   7.625
  575    HA   GLU  70           HA       GLU  70   3.788  13.047   9.634
  576   1HB   GLU  70          2HB       GLU  70   5.680  10.692   9.534
  577   2HB   GLU  70          1HB       GLU  70   5.339  11.545  11.040
  578   1HG   GLU  70          2HG       GLU  70   2.910  11.135  10.691
  579   2HG   GLU  70          1HG       GLU  70   3.296  10.210   9.240
  580    H    LYS  71           H        LYS  71   6.777  12.801   7.802
  581    HA   LYS  71           HA       LYS  71   8.233  14.600   9.650
  582   1HB   LYS  71          2HB       LYS  71   8.943  13.237   7.038
  583   2HB   LYS  71          1HB       LYS  71  10.079  14.158   8.023
  584   1HG   LYS  71          2HG       LYS  71   8.486  11.864   9.172
  585   2HG   LYS  71          1HG       LYS  71  10.042  11.610   8.380
  586   1HD   LYS  71          2HD       LYS  71   9.803  13.714  10.510
  587   2HD   LYS  71          1HD       LYS  71   9.958  12.020  10.980
  588   1HE   LYS  71          2HE       LYS  71  11.966  11.991   9.294
  589   2HE   LYS  71          1HE       LYS  71  11.931  13.753   9.502
  590   1HZ   LYS  71          1HZ       LYS  71  11.985  13.451  11.892
  591   2HZ   LYS  71          2HZ       LYS  71  13.328  12.687  11.185
  592   3HZ   LYS  71          3HZ       LYS  71  12.001  11.765  11.711
  593    H    ASP  72           H        ASP  72   6.263  14.939   6.817
  594    HA   ASP  72           HA       ASP  72   7.478  17.623   6.252
  595   1HB   ASP  72          2HB       ASP  72   7.360  15.775   4.490
  596   2HB   ASP  72          1HB       ASP  72   5.610  16.000   4.511
  597    H    ILE  73           H        ILE  73   4.477  15.935   7.045
  598    HA   ILE  73           HA       ILE  73   2.682  18.138   6.578
  599    HB   ILE  73           HB       ILE  73   2.094  15.713   6.797
  600   1HG1  ILE  73          2HG1      ILE  73   0.174  16.246   8.578
  601   2HG1  ILE  73          1HG1      ILE  73   0.770  17.891   8.352
  602   1HG2  ILE  73          1HG2      ILE  73   2.125  14.582   8.861
  603   2HG2  ILE  73          2HG2      ILE  73   2.272  16.077   9.784
  604   3HG2  ILE  73          3HG2      ILE  73   3.649  15.468   8.866
  605   1HD1  ILE  73          1HD1      ILE  73  -0.079  16.026   6.116
  606   2HD1  ILE  73          2HD1      ILE  73   0.463  17.693   5.925
  607   3HD1  ILE  73          3HD1      ILE  73  -1.053  17.350   6.756
  608    H    ALA  74           H        ALA  74   4.595  17.132   9.387
  609    HA   ALA  74           HA       ALA  74   3.480  18.845  11.370
  610   1HB   ALA  74          1HB       ALA  74   5.037  17.058  11.888
  611   2HB   ALA  74          2HB       ALA  74   5.780  18.576  12.392
  612   3HB   ALA  74          3HB       ALA  74   6.290  17.801  10.892
  613    H    ALA  75           H        ALA  75   6.263  19.412   9.190
  614    HA   ALA  75           HA       ALA  75   6.591  22.192  10.006
  615   1HB   ALA  75          1HB       ALA  75   7.605  20.607   7.622
  616   2HB   ALA  75          2HB       ALA  75   8.420  20.753   9.179
  617   3HB   ALA  75          3HB       ALA  75   8.233  22.170   8.146
  618    H    TYR  76           H        TYR  76   4.541  20.540   7.741
  619    HA   TYR  76           HA       TYR  76   4.142  22.779   5.909
  620   1HB   TYR  76          2HB       TYR  76   3.873  20.350   5.364
  621   2HB   TYR  76          1HB       TYR  76   2.482  20.292   6.448
  622    HD1  TYR  76           1HD      TYR  76   0.374  21.353   5.856
  623    HD2  TYR  76           2HD      TYR  76   3.787  21.625   3.262
  624    HE1  TYR  76           1HE      TYR  76  -1.080  22.194   4.032
  625    HE2  TYR  76           2HE      TYR  76   2.333  22.466   1.438
  626    HH   TYR  76           HH       TYR  76  -0.282  23.811   1.644
  627    H    ARG  77           H        ARG  77   2.524  21.495   8.787
  628    HA   ARG  77           HA       ARG  77   0.270  23.375   8.587
  629   1HB   ARG  77          2HB       ARG  77   1.223  21.342  10.620
  630   2HB   ARG  77          1HB       ARG  77  -0.255  22.283  10.822
  631   1HG   ARG  77          2HG       ARG  77  -1.274  21.302   8.921
  632   2HG   ARG  77          1HG       ARG  77   0.261  20.678   8.318
  633   1HD   ARG  77          2HD       ARG  77   0.353  18.977   9.975
  634   2HD   ARG  77          1HD       ARG  77  -0.886  19.769  10.969
  635    HE   ARG  77           HE       ARG  77  -1.645  18.920   8.223
  636   1HH1  ARG  77          1HH1      ARG  77  -1.251  16.776  10.468
  637   2HH1  ARG  77          2HH1      ARG  77  -2.899  16.560  10.957
  638   1HH2  ARG  77          1HH2      ARG  77  -4.027  19.422   9.356
  639   2HH2  ARG  77          2HH2      ARG  77  -4.470  18.058  10.327
  640    H    ALA  78           H        ALA  78   3.419  23.955   9.360
  641    HA   ALA  78           HA       ALA  78   4.529  25.548  10.700
  642   1HB   ALA  78          1HB       ALA  78   1.835  26.902  10.831
  643   2HB   ALA  78          2HB       ALA  78   2.708  26.772   9.304
  644   3HB   ALA  78          3HB       ALA  78   3.429  27.639  10.661
  645    H    LYS  79           H        LYS  79   4.789  24.149  12.578
  646    HA   LYS  79           HA       LYS  79   2.916  24.811  14.831
  647   1HB   LYS  79          2HB       LYS  79   3.113  22.407  13.631
  648   2HB   LYS  79          1HB       LYS  79   4.438  22.247  14.784
  649   1HG   LYS  79          2HG       LYS  79   2.781  21.572  16.201
  650   2HG   LYS  79          1HG       LYS  79   2.519  23.304  16.398
  651   1HD   LYS  79          2HD       LYS  79   1.171  21.891  14.124
  652   2HD   LYS  79          1HD       LYS  79   0.505  21.717  15.748
  653   1HE   LYS  79          2HE       LYS  79   0.837  24.382  15.755
  654   2HE   LYS  79          1HE       LYS  79   0.628  24.140  14.008
  655   1HZ   LYS  79          1HZ       LYS  79  -1.533  24.339  14.947
  656   2HZ   LYS  79          2HZ       LYS  79  -1.178  23.227  16.181
  657   3HZ   LYS  79          3HZ       LYS  79  -1.311  22.701  14.570
  Start of MODEL   29
    1   1H    MET   1          1HT       MET   1 -11.366  19.286  -2.555
    2   2H    MET   1          2HT       MET   1 -10.252  18.011  -2.702
    3   3H    MET   1          3HT       MET   1 -10.278  18.962  -1.293
    4    HA   MET   1           HA       MET   1 -12.491  18.128  -0.741
    5   1HB   MET   1          2HB       MET   1 -12.715  17.816  -3.380
    6   2HB   MET   1          1HB       MET   1 -12.204  16.173  -2.991
    7   1HG   MET   1          2HG       MET   1 -14.084  15.777  -1.632
    8   2HG   MET   1          1HG       MET   1 -14.422  17.497  -1.440
    9   1HE   MET   1          1HE       MET   1 -17.579  16.545  -3.287
   10   2HE   MET   1          2HE       MET   1 -16.879  17.786  -2.251
   11   3HE   MET   1          3HE       MET   1 -16.729  16.087  -1.805
   12    H    LYS   2           H        LYS   2 -10.233  15.882  -2.397
   13    HA   LYS   2           HA       LYS   2  -9.864  14.465   0.225
   14   1HB   LYS   2          2HB       LYS   2 -10.354  13.618  -2.582
   15   2HB   LYS   2          1HB       LYS   2  -9.215  12.634  -1.663
   16   1HG   LYS   2          2HG       LYS   2 -11.219  11.602  -1.099
   17   2HG   LYS   2          1HG       LYS   2 -11.083  12.784   0.205
   18   1HD   LYS   2          2HD       LYS   2 -13.239  13.235  -0.497
   19   2HD   LYS   2          1HD       LYS   2 -12.352  14.335  -1.553
   20   1HE   LYS   2          2HE       LYS   2 -12.297  11.966  -2.985
   21   2HE   LYS   2          1HE       LYS   2 -13.905  11.943  -2.235
   22   1HZ   LYS   2          1HZ       LYS   2 -12.753  14.306  -3.614
   23   2HZ   LYS   2          2HZ       LYS   2 -14.338  14.136  -3.025
   24   3HZ   LYS   2          3HZ       LYS   2 -13.818  13.213  -4.353
   25    H    LYS   3           H        LYS   3  -8.261  16.727  -0.664
   26    HA   LYS   3           HA       LYS   3  -5.614  15.598  -0.370
   27   1HB   LYS   3          2HB       LYS   3  -6.388  15.238  -2.824
   28   2HB   LYS   3          1HB       LYS   3  -6.158  16.979  -2.997
   29   1HG   LYS   3          2HG       LYS   3  -3.840  16.834  -2.506
   30   2HG   LYS   3          1HG       LYS   3  -3.998  15.198  -1.864
   31   1HD   LYS   3          2HD       LYS   3  -4.541  14.346  -4.095
   32   2HD   LYS   3          1HD       LYS   3  -4.464  15.979  -4.758
   33   1HE   LYS   3          2HE       LYS   3  -2.094  16.140  -4.275
   34   2HE   LYS   3          1HE       LYS   3  -2.127  14.604  -3.387
   35   1HZ   LYS   3          1HZ       LYS   3  -1.398  14.277  -5.681
   36   2HZ   LYS   3          2HZ       LYS   3  -2.848  14.954  -6.250
   37   3HZ   LYS   3          3HZ       LYS   3  -2.872  13.488  -5.391
   38    H    LYS   4           H        LYS   4  -4.623  17.130   0.872
   39    HA   LYS   4           HA       LYS   4  -5.624  19.758   1.294
   40   1HB   LYS   4          2HB       LYS   4  -3.041  18.307   1.843
   41   2HB   LYS   4          1HB       LYS   4  -3.211  20.010   2.271
   42   1HG   LYS   4          2HG       LYS   4  -5.417  19.287   3.423
   43   2HG   LYS   4          1HG       LYS   4  -4.770  17.649   3.311
   44   1HD   LYS   4          2HD       LYS   4  -3.210  19.943   4.520
   45   2HD   LYS   4          1HD       LYS   4  -4.248  18.885   5.478
   46   1HE   LYS   4          2HE       LYS   4  -2.178  17.673   3.653
   47   2HE   LYS   4          1HE       LYS   4  -1.709  18.267   5.258
   48   1HZ   LYS   4          1HZ       LYS   4  -2.447  15.955   5.358
   49   2HZ   LYS   4          2HZ       LYS   4  -3.950  16.394   4.699
   50   3HZ   LYS   4          3HZ       LYS   4  -3.492  16.966   6.232
   51    H    ASP   5           H        ASP   5  -2.278  19.395   0.140
   52    HA   ASP   5           HA       ASP   5  -2.904  21.212  -2.156
   53   1HB   ASP   5          2HB       ASP   5  -1.132  21.604   0.219
   54   2HB   ASP   5          1HB       ASP   5  -0.603  22.276  -1.325
   55    HA   PRO   6           HA       PRO   6  -0.053  18.727  -4.430
   56   1HB   PRO   6          2HB       PRO   6   1.169  20.560  -6.033
   57   2HB   PRO   6          1HB       PRO   6  -0.499  20.013  -6.285
   58   1HG   PRO   6          2HG       PRO   6   0.515  22.520  -5.055
   59   2HG   PRO   6          1HG       PRO   6  -0.894  22.262  -6.094
   60   1HD   PRO   6          2HD       PRO   6  -1.046  22.564  -3.388
   61   2HD   PRO   6          1HD       PRO   6  -2.234  21.655  -4.348
   62    H    ASN   7           H        ASN   7   1.102  21.166  -2.337
   63    HA   ASN   7           HA       ASN   7   3.949  20.327  -2.700
   64   1HB   ASN   7          2HB       ASN   7   2.503  22.788  -1.782
   65   2HB   ASN   7          1HB       ASN   7   4.111  22.474  -1.127
   66   1HD2  ASN   7          1HD2      ASN   7   2.452  22.464  -4.340
   67   2HD2  ASN   7          2HD2      ASN   7   3.769  23.127  -5.181
   68    H    ALA   8           H        ALA   8   1.228  20.402  -0.498
   69    HA   ALA   8           HA       ALA   8   2.884  19.513   1.804
   70   1HB   ALA   8          1HB       ALA   8  -0.026  20.261   1.399
   71   2HB   ALA   8          2HB       ALA   8   1.216  21.207   2.219
   72   3HB   ALA   8          3HB       ALA   8   0.620  19.715   2.946
   73    HA   PRO   9           HA       PRO   9   1.823  15.294   0.883
   74   1HB   PRO   9          2HB       PRO   9   2.514  14.137   3.263
   75   2HB   PRO   9          1HB       PRO   9   3.708  14.665   2.062
   76   1HG   PRO   9          2HG       PRO   9   2.865  15.967   4.591
   77   2HG   PRO   9          1HG       PRO   9   4.457  15.915   3.820
   78   1HD   PRO   9          2HD       PRO   9   2.748  18.073   3.732
   79   2HD   PRO   9          1HD       PRO   9   4.038  17.756   2.552
   80    H    LYS  10           H        LYS  10  -0.243  14.500   0.884
   81    HA   LYS  10           HA       LYS  10  -2.249  15.357   2.773
   82   1HB   LYS  10          2HB       LYS  10  -3.669  13.819   1.451
   83   2HB   LYS  10          1HB       LYS  10  -2.662  14.804   0.394
   84   1HG   LYS  10          2HG       LYS  10  -1.014  12.668   0.806
   85   2HG   LYS  10          1HG       LYS  10  -2.591  11.884   0.881
   86   1HD   LYS  10          2HD       LYS  10  -3.168  13.078  -1.284
   87   2HD   LYS  10          1HD       LYS  10  -1.473  13.554  -1.383
   88   1HE   LYS  10          2HE       LYS  10  -1.088  10.937  -0.971
   89   2HE   LYS  10          1HE       LYS  10  -2.697  10.846  -1.715
   90   1HZ   LYS  10          1HZ       LYS  10  -1.907  12.273  -3.506
   91   2HZ   LYS  10          2HZ       LYS  10  -0.974  10.855  -3.412
   92   3HZ   LYS  10          3HZ       LYS  10  -0.361  12.321  -2.811
   93    H    ARG  11           H        ARG  11  -3.607  12.796   3.125
   94    HA   ARG  11           HA       ARG  11  -2.546  11.935   5.620
   95   1HB   ARG  11          2HB       ARG  11  -4.724  11.336   3.831
   96   2HB   ARG  11          1HB       ARG  11  -4.019   9.816   4.377
   97   1HG   ARG  11          2HG       ARG  11  -5.715  10.431   5.975
   98   2HG   ARG  11          1HG       ARG  11  -4.150  10.711   6.741
   99   1HD   ARG  11          2HD       ARG  11  -4.449  13.143   5.697
  100   2HD   ARG  11          1HD       ARG  11  -6.167  12.706   5.778
  101    HE   ARG  11           HE       ARG  11  -4.593  12.131   8.205
  102   1HH1  ARG  11          1HH1      ARG  11  -7.571  13.055   7.193
  103   2HH1  ARG  11          2HH1      ARG  11  -7.766  14.387   8.283
  104   1HH2  ARG  11          1HH2      ARG  11  -4.457  14.363   9.321
  105   2HH2  ARG  11          2HH2      ARG  11  -6.002  15.127   9.489
  106    HA   PRO  12           HA       PRO  12   0.778   9.375   4.182
  107   1HB   PRO  12          2HB       PRO  12   1.234   7.904   6.443
  108   2HB   PRO  12          1HB       PRO  12   1.736   9.597   6.271
  109   1HG   PRO  12          2HG       PRO  12  -0.597   8.451   7.708
  110   2HG   PRO  12          1HG       PRO  12   0.432   9.826   8.133
  111   1HD   PRO  12          2HD       PRO  12  -2.069  10.058   7.031
  112   2HD   PRO  12          1HD       PRO  12  -0.798  11.292   6.896
  113    HA   PRO  13           HA       PRO  13  -1.586   5.707   3.173
  114   1HB   PRO  13          2HB       PRO  13   0.176   4.596   1.406
  115   2HB   PRO  13          1HB       PRO  13  -0.858   5.977   0.995
  116   1HG   PRO  13          2HG       PRO  13   2.029   5.899   1.593
  117   2HG   PRO  13          1HG       PRO  13   1.114   7.013   0.571
  118   1HD   PRO  13          2HD       PRO  13   2.042   7.517   3.168
  119   2HD   PRO  13          1HD       PRO  13   0.865   8.490   2.263
  120    H    SER  14           H        SER  14  -1.055   3.226   3.138
  121    HA   SER  14           HA       SER  14   1.311   2.298   4.553
  122   1HB   SER  14          2HB       SER  14   0.084   3.478   6.353
  123   2HB   SER  14          1HB       SER  14  -1.331   2.476   6.042
  124    HG   SER  14           HG       SER  14   0.854   1.940   7.515
  125    H    ALA  15           H        ALA  15   0.568   1.169   2.271
  126    HA   ALA  15           HA       ALA  15   0.084  -0.886   1.300
  127   1HB   ALA  15          1HB       ALA  15   0.534  -1.432   4.039
  128   2HB   ALA  15          2HB       ALA  15   0.561  -2.588   2.709
  129   3HB   ALA  15          3HB       ALA  15  -0.930  -2.317   3.611
  130    H    PHE  16           H        PHE  16  -2.363  -0.978   3.931
  131    HA   PHE  16           HA       PHE  16  -4.561  -1.770   2.429
  132   1HB   PHE  16          2HB       PHE  16  -4.238  -1.314   4.943
  133   2HB   PHE  16          1HB       PHE  16  -4.693   0.349   4.578
  134    HD1  PHE  16           1HD      PHE  16  -6.912   0.801   5.108
  135    HD2  PHE  16           2HD      PHE  16  -5.896  -3.027   3.445
  136    HE1  PHE  16           1HE      PHE  16  -9.307   0.158   5.121
  137    HE2  PHE  16           2HE      PHE  16  -8.290  -3.669   3.458
  138    HZ   PHE  16           HZ       PHE  16  -9.997  -2.076   4.297
  139    H    PHE  17           H        PHE  17  -3.634   1.630   3.065
  140    HA   PHE  17           HA       PHE  17  -5.686   2.885   1.545
  141   1HB   PHE  17          2HB       PHE  17  -3.674   3.685   3.150
  142   2HB   PHE  17          1HB       PHE  17  -2.939   4.050   1.589
  143    HD1  PHE  17           1HD      PHE  17  -6.007   4.607   3.639
  144    HD2  PHE  17           2HD      PHE  17  -3.602   5.949   0.344
  145    HE1  PHE  17           1HE      PHE  17  -7.391   6.657   3.464
  146    HE2  PHE  17           2HE      PHE  17  -4.986   7.999   0.168
  147    HZ   PHE  17           HZ       PHE  17  -6.880   8.353   1.729
  148    H    LEU  18           H        LEU  18  -2.530   1.576   0.552
  149    HA   LEU  18           HA       LEU  18  -2.639   2.604  -2.161
  150   1HB   LEU  18          2HB       LEU  18  -1.087   0.230  -1.077
  151   2HB   LEU  18          1HB       LEU  18  -0.666   1.229  -2.462
  152    HG   LEU  18           HG       LEU  18  -0.655   2.063   0.458
  153   1HD1  LEU  18          1HD1      LEU  18   1.787   2.613  -0.351
  154   2HD1  LEU  18          2HD1      LEU  18   1.419   1.442  -1.617
  155   3HD1  LEU  18          3HD1      LEU  18   1.355   0.956   0.077
  156   1HD2  LEU  18          1HD2      LEU  18   0.350   4.213  -0.583
  157   2HD2  LEU  18          2HD2      LEU  18  -1.398   4.009  -0.695
  158   3HD2  LEU  18          3HD2      LEU  18  -0.380   3.668  -2.094
  159    H    PHE  19           H        PHE  19  -3.594  -0.426  -0.584
  160    HA   PHE  19           HA       PHE  19  -4.142  -1.876  -3.043
  161   1HB   PHE  19          2HB       PHE  19  -3.586  -2.876  -0.828
  162   2HB   PHE  19          1HB       PHE  19  -5.122  -2.282  -0.198
  163    HD1  PHE  19           1HD      PHE  19  -7.263  -3.208  -1.004
  164    HD2  PHE  19           2HD      PHE  19  -3.491  -4.759  -2.352
  165    HE1  PHE  19           1HE      PHE  19  -8.407  -5.225  -1.884
  166    HE2  PHE  19           2HE      PHE  19  -4.635  -6.775  -3.234
  167    HZ   PHE  19           HZ       PHE  19  -7.092  -7.008  -3.000
  168    H    CYS  20           H        CYS  20  -6.306  -0.460  -0.555
  169    HA   CYS  20           HA       CYS  20  -8.763  -0.915  -1.920
  170   1HB   CYS  20          2HB       CYS  20  -8.056  -0.031   0.498
  171   2HB   CYS  20          1HB       CYS  20  -8.345   1.537  -0.254
  172    HG   CYS  20           HG       CYS  20 -10.499  -0.471   0.518
  173    H    SER  21           H        SER  21  -6.702   2.016  -1.878
  174    HA   SER  21           HA       SER  21  -8.273   3.631  -3.611
  175   1HB   SER  21          2HB       SER  21  -6.332   4.333  -2.204
  176   2HB   SER  21          1HB       SER  21  -5.253   3.495  -3.316
  177    HG   SER  21           HG       SER  21  -6.154   5.948  -3.507
  178    H    GLU  22           H        GLU  22  -6.104   0.959  -4.335
  179    HA   GLU  22           HA       GLU  22  -6.153   1.586  -7.241
  180   1HB   GLU  22          2HB       GLU  22  -4.578  -0.121  -5.368
  181   2HB   GLU  22          1HB       GLU  22  -4.603  -0.556  -7.074
  182   1HG   GLU  22          2HG       GLU  22  -3.884   2.194  -6.018
  183   2HG   GLU  22          1HG       GLU  22  -2.705   0.966  -6.483
  184    H    TYR  23           H        TYR  23  -7.595  -0.603  -4.918
  185    HA   TYR  23           HA       TYR  23  -8.460  -2.505  -7.021
  186   1HB   TYR  23          2HB       TYR  23  -8.369  -2.351  -4.044
  187   2HB   TYR  23          1HB       TYR  23  -9.604  -3.389  -4.756
  188    HD1  TYR  23           1HD      TYR  23  -5.962  -2.581  -5.206
  189    HD2  TYR  23           2HD      TYR  23  -9.026  -5.592  -5.240
  190    HE1  TYR  23           1HE      TYR  23  -4.251  -4.317  -5.661
  191    HE2  TYR  23           2HE      TYR  23  -7.314  -7.328  -5.695
  192    HH   TYR  23           HH       TYR  23  -4.894  -7.269  -6.830
  193    H    ARG  24           H        ARG  24  -9.868  -0.065  -4.843
  194    HA   ARG  24           HA       ARG  24 -12.592  -0.505  -5.093
  195   1HB   ARG  24          2HB       ARG  24 -10.950   2.026  -5.055
  196   2HB   ARG  24          1HB       ARG  24 -12.712   2.038  -4.975
  197   1HG   ARG  24          2HG       ARG  24 -12.751   0.859  -2.929
  198   2HG   ARG  24          1HG       ARG  24 -11.074   0.343  -3.098
  199   1HD   ARG  24          2HD       ARG  24 -10.261   2.302  -2.242
  200   2HD   ARG  24          1HD       ARG  24 -11.474   3.281  -3.091
  201    HE   ARG  24           HE       ARG  24 -12.532   1.590  -0.926
  202   1HH1  ARG  24          1HH2      ARG  24 -13.208   4.417  -2.284
  203   2HH1  ARG  24          2HH2      ARG  24 -13.132   5.402  -0.862
  204   1HH2  ARG  24          1HH1      ARG  24 -11.618   2.956   1.073
  205   2HH2  ARG  24          2HH1      ARG  24 -12.232   4.575   1.040
  206    HA   PRO  25           HA       PRO  25 -12.818   2.044  -9.225
  207   1HB   PRO  25          2HB       PRO  25 -10.498   2.124 -10.703
  208   2HB   PRO  25          1HB       PRO  25 -10.993   3.409  -9.581
  209   1HG   PRO  25          2HG       PRO  25  -9.098   1.140  -9.131
  210   2HG   PRO  25          1HG       PRO  25  -8.915   2.855  -8.716
  211   1HD   PRO  25          2HD       PRO  25  -9.606   1.093  -6.861
  212   2HD   PRO  25          1HD       PRO  25 -10.357   2.702  -6.887
  213    H    LYS  26           H        LYS  26 -10.746  -0.753  -8.786
  214    HA   LYS  26           HA       LYS  26 -11.289  -2.032 -11.339
  215   1HB   LYS  26          2HB       LYS  26  -9.460  -2.457  -9.523
  216   2HB   LYS  26          1HB       LYS  26 -10.718  -3.394  -8.707
  217   1HG   LYS  26          2HG       LYS  26 -10.148  -3.892 -11.616
  218   2HG   LYS  26          1HG       LYS  26  -9.100  -4.606 -10.388
  219   1HD   LYS  26          2HD       LYS  26 -11.204  -5.497  -9.273
  220   2HD   LYS  26          1HD       LYS  26 -12.083  -4.998 -10.720
  221   1HE   LYS  26          2HE       LYS  26 -11.546  -7.240 -11.214
  222   2HE   LYS  26          1HE       LYS  26 -10.203  -6.367 -11.978
  223   1HZ   LYS  26          1HZ       LYS  26  -9.387  -8.136 -10.527
  224   2HZ   LYS  26          2HZ       LYS  26 -10.205  -7.446  -9.207
  225   3HZ   LYS  26          3HZ       LYS  26  -8.924  -6.611  -9.947
  226    H    ILE  27           H        ILE  27 -12.580  -2.322  -8.044
  227    HA   ILE  27           HA       ILE  27 -14.578  -4.280  -8.425
  228    HB   ILE  27           HB       ILE  27 -14.523  -1.785  -6.683
  229   1HG1  ILE  27          2HG1      ILE  27 -12.571  -3.278  -6.362
  230   2HG1  ILE  27          1HG1      ILE  27 -13.611  -3.258  -4.947
  231   1HG2  ILE  27          1HG2      ILE  27 -15.947  -3.397  -5.176
  232   2HG2  ILE  27          2HG2      ILE  27 -16.325  -4.186  -6.706
  233   3HG2  ILE  27          3HG2      ILE  27 -16.729  -2.487  -6.467
  234   1HD1  ILE  27          1HD1      ILE  27 -14.682  -5.352  -5.728
  235   2HD1  ILE  27          2HD1      ILE  27 -12.952  -5.553  -5.456
  236   3HD1  ILE  27          3HD1      ILE  27 -13.573  -5.388  -7.099
  237    H    LYS  28           H        LYS  28 -14.499  -0.925  -9.464
  238    HA   LYS  28           HA       LYS  28 -17.400  -0.703  -9.745
  239   1HB   LYS  28          2HB       LYS  28 -15.373   1.135 -11.019
  240   2HB   LYS  28          1HB       LYS  28 -16.954   1.533 -10.357
  241   1HG   LYS  28          2HG       LYS  28 -14.364   1.030  -8.935
  242   2HG   LYS  28          1HG       LYS  28 -15.431   2.405  -8.786
  243   1HD   LYS  28          2HD       LYS  28 -15.955  -0.393  -7.700
  244   2HD   LYS  28          1HD       LYS  28 -15.533   1.032  -6.760
  245   1HE   LYS  28          2HE       LYS  28 -17.618   2.127  -7.360
  246   2HE   LYS  28          1HE       LYS  28 -18.030   0.817  -8.482
  247   1HZ   LYS  28          1HZ       LYS  28 -17.553   0.513  -5.567
  248   2HZ   LYS  28          2HZ       LYS  28 -17.930  -0.743  -6.645
  249   3HZ   LYS  28          3HZ       LYS  28 -19.071   0.474  -6.321
  250    H    SER  29           H        SER  29 -14.710  -1.535 -11.894
  251    HA   SER  29           HA       SER  29 -16.197  -1.202 -14.365
  252   1HB   SER  29          2HB       SER  29 -13.678  -1.253 -13.995
  253   2HB   SER  29          1HB       SER  29 -13.822  -2.997 -13.790
  254    HG   SER  29           HG       SER  29 -13.471  -2.774 -15.914
  255    H    GLU  30           H        GLU  30 -15.656  -3.885 -12.124
  256    HA   GLU  30           HA       GLU  30 -17.186  -5.750 -13.857
  257   1HB   GLU  30          2HB       GLU  30 -15.446  -5.921 -11.394
  258   2HB   GLU  30          1HB       GLU  30 -16.403  -7.300 -11.926
  259   1HG   GLU  30          2HG       GLU  30 -14.202  -7.512 -12.879
  260   2HG   GLU  30          1HG       GLU  30 -15.306  -7.100 -14.186
  261    H    HIS  31           H        HIS  31 -17.880  -3.547 -11.389
  262    HA   HIS  31           HA       HIS  31 -20.420  -4.987 -10.788
  263   1HB   HIS  31          2HB       HIS  31 -18.742  -3.605  -8.668
  264   2HB   HIS  31          1HB       HIS  31 -20.165  -4.606  -8.422
  265    HD1  HIS  31           1HD      HIS  31 -16.526  -4.786  -8.590
  266    HD2  HIS  31           2HD      HIS  31 -19.678  -7.451  -9.169
  267    HE1  HIS  31           1HE      HIS  31 -15.532  -7.107  -8.461
  268    HA   PRO  32           HA       PRO  32 -21.180  -0.638 -11.901
  269   1HB   PRO  32          2HB       PRO  32 -23.624  -1.073 -13.064
  270   2HB   PRO  32          1HB       PRO  32 -22.085  -1.266 -13.918
  271   1HG   PRO  32          2HG       PRO  32 -23.906  -3.324 -12.836
  272   2HG   PRO  32          1HG       PRO  32 -22.817  -3.390 -14.231
  273   1HD   PRO  32          2HD       PRO  32 -22.330  -4.539 -11.756
  274   2HD   PRO  32          1HD       PRO  32 -21.115  -4.206 -13.007
  275    H    GLY  33           H        GLY  33 -23.712  -2.840 -10.646
  276   1HA   GLY  33          2HA       GLY  33 -25.233  -0.804  -9.320
  277   2HA   GLY  33          1HA       GLY  33 -25.282  -2.523  -8.933
  278    H    LEU  34           H        LEU  34 -22.238  -2.353  -8.538
  279    HA   LEU  34           HA       LEU  34 -22.011  -2.339  -5.765
  280   1HB   LEU  34          2HB       LEU  34 -20.389  -2.600  -7.953
  281   2HB   LEU  34          1HB       LEU  34 -19.768  -1.116  -7.267
  282    HG   LEU  34           HG       LEU  34 -18.587  -3.176  -6.469
  283   1HD1  LEU  34          1HD1      LEU  34 -19.283  -2.561  -3.898
  284   2HD1  LEU  34          2HD1      LEU  34 -19.839  -1.131  -4.764
  285   3HD1  LEU  34          3HD1      LEU  34 -18.153  -1.631  -4.879
  286   1HD2  LEU  34          1HD2      LEU  34 -21.014  -3.782  -4.799
  287   2HD2  LEU  34          2HD2      LEU  34 -19.636  -4.817  -5.173
  288   3HD2  LEU  34          3HD2      LEU  34 -20.845  -4.479  -6.411
  289    H    SER  35           H        SER  35 -23.240  -0.600  -4.809
  290    HA   SER  35           HA       SER  35 -22.837   2.192  -5.417
  291   1HB   SER  35          2HB       SER  35 -23.797   0.778  -2.904
  292   2HB   SER  35          1HB       SER  35 -24.035   2.486  -3.257
  293    HG   SER  35           HG       SER  35 -25.374   1.959  -4.909
  294    H    ILE  36           H        ILE  36 -22.063   3.628  -3.370
  295    HA   ILE  36           HA       ILE  36 -19.236   3.303  -3.117
  296    HB   ILE  36           HB       ILE  36 -21.353   4.863  -1.607
  297   1HG1  ILE  36          2HG1      ILE  36 -20.922   5.505  -3.949
  298   2HG1  ILE  36          1HG1      ILE  36 -20.382   6.767  -2.845
  299   1HG2  ILE  36          1HG2      ILE  36 -18.378   4.750  -1.138
  300   2HG2  ILE  36          2HG2      ILE  36 -19.685   4.751   0.045
  301   3HG2  ILE  36          3HG2      ILE  36 -19.278   6.234  -0.819
  302   1HD1  ILE  36          1HD1      ILE  36 -18.062   5.654  -2.977
  303   2HD1  ILE  36          2HD1      ILE  36 -18.607   6.527  -4.407
  304   3HD1  ILE  36          3HD1      ILE  36 -18.698   4.766  -4.362
  305    H    GLY  37           H        GLY  37 -21.766   2.838  -0.616
  306   1HA   GLY  37          2HA       GLY  37 -20.192   1.828   1.453
  307   2HA   GLY  37          1HA       GLY  37 -21.867   1.346   1.196
  308    H    ASP  38           H        ASP  38 -21.606  -0.004  -1.262
  309    HA   ASP  38           HA       ASP  38 -20.750  -2.617  -0.448
  310   1HB   ASP  38          2HB       ASP  38 -21.261  -1.305  -3.134
  311   2HB   ASP  38          1HB       ASP  38 -20.979  -3.035  -2.943
  312    H    THR  39           H        THR  39 -19.119  -0.028  -2.221
  313    HA   THR  39           HA       THR  39 -16.833  -1.472  -3.133
  314    HB   THR  39           HB       THR  39 -16.907   1.404  -2.206
  315    HG1  THR  39           1HG      THR  39 -17.983   1.889  -4.006
  316   1HG2  THR  39          1HG2      THR  39 -14.738   0.375  -2.946
  317   2HG2  THR  39          2HG2      THR  39 -15.261   1.727  -3.949
  318   3HG2  THR  39          3HG2      THR  39 -15.477   0.071  -4.518
  319    H    ALA  40           H        ALA  40 -17.516   0.116  -0.029
  320    HA   ALA  40           HA       ALA  40 -14.833  -0.308   1.038
  321   1HB   ALA  40          1HB       ALA  40 -15.841   0.603   3.064
  322   2HB   ALA  40          2HB       ALA  40 -17.460   0.293   2.436
  323   3HB   ALA  40          3HB       ALA  40 -16.440   1.516   1.678
  324    H    LYS  41           H        LYS  41 -18.033  -1.730   1.818
  325    HA   LYS  41           HA       LYS  41 -16.976  -3.757   3.554
  326   1HB   LYS  41          2HB       LYS  41 -19.261  -4.651   3.429
  327   2HB   LYS  41          1HB       LYS  41 -19.291  -2.896   3.585
  328   1HG   LYS  41          2HG       LYS  41 -19.461  -2.795   1.052
  329   2HG   LYS  41          1HG       LYS  41 -19.728  -4.533   1.082
  330   1HD   LYS  41          2HD       LYS  41 -21.883  -3.365   1.044
  331   2HD   LYS  41          1HD       LYS  41 -21.674  -4.198   2.584
  332   1HE   LYS  41          2HE       LYS  41 -20.600  -1.462   2.663
  333   2HE   LYS  41          1HE       LYS  41 -22.334  -1.509   2.295
  334   1HZ   LYS  41          1HZ       LYS  41 -21.804  -1.590   4.716
  335   2HZ   LYS  41          2HZ       LYS  41 -21.072  -3.101   4.459
  336   3HZ   LYS  41          3HZ       LYS  41 -22.733  -2.897   4.164
  337    H    LYS  42           H        LYS  42 -17.444  -3.698   0.020
  338    HA   LYS  42           HA       LYS  42 -17.125  -6.597  -0.271
  339   1HB   LYS  42          2HB       LYS  42 -18.396  -4.876  -1.737
  340   2HB   LYS  42          1HB       LYS  42 -16.812  -4.467  -2.396
  341   1HG   LYS  42          2HG       LYS  42 -17.714  -6.113  -3.856
  342   2HG   LYS  42          1HG       LYS  42 -16.541  -6.974  -2.855
  343   1HD   LYS  42          2HD       LYS  42 -19.267  -6.841  -1.715
  344   2HD   LYS  42          1HD       LYS  42 -19.142  -7.766  -3.208
  345   1HE   LYS  42          2HE       LYS  42 -16.902  -8.425  -1.509
  346   2HE   LYS  42          1HE       LYS  42 -18.411  -8.620  -0.603
  347   1HZ   LYS  42          1HZ       LYS  42 -17.839  -9.716  -3.305
  348   2HZ   LYS  42          2HZ       LYS  42 -19.333  -9.833  -2.505
  349   3HZ   LYS  42          3HZ       LYS  42 -17.964 -10.614  -1.873
  350    H    LEU  43           H        LEU  43 -14.934  -4.147   0.485
  351    HA   LEU  43           HA       LEU  43 -12.704  -5.396  -1.061
  352   1HB   LEU  43          2HB       LEU  43 -13.241  -2.727   0.224
  353   2HB   LEU  43          1HB       LEU  43 -11.585  -3.214  -0.139
  354    HG   LEU  43           HG       LEU  43 -13.841  -3.179  -2.163
  355   1HD1  LEU  43          1HD1      LEU  43 -12.977  -1.126  -2.974
  356   2HD1  LEU  43          2HD1      LEU  43 -11.491  -1.289  -2.037
  357   3HD1  LEU  43          3HD1      LEU  43 -13.012  -0.923  -1.222
  358   1HD2  LEU  43          1HD2      LEU  43 -11.757  -3.263  -3.709
  359   2HD2  LEU  43          2HD2      LEU  43 -12.233  -4.753  -2.894
  360   3HD2  LEU  43          3HD2      LEU  43 -10.889  -3.797  -2.270
  361    H    GLY  44           H        GLY  44 -13.813  -4.570   2.202
  362   1HA   GLY  44          2HA       GLY  44 -11.407  -5.272   3.596
  363   2HA   GLY  44          1HA       GLY  44 -13.015  -5.202   4.316
  364    H    GLU  45           H        GLU  45 -14.290  -7.156   2.705
  365    HA   GLU  45           HA       GLU  45 -13.749  -9.562   4.088
  366   1HB   GLU  45          2HB       GLU  45 -15.718  -8.727   2.560
  367   2HB   GLU  45          1HB       GLU  45 -14.812  -9.524   1.273
  368   1HG   GLU  45          2HG       GLU  45 -16.346 -11.155   2.138
  369   2HG   GLU  45          1HG       GLU  45 -14.750 -11.591   2.750
  370    H    MET  46           H        MET  46 -12.386  -8.357   1.043
  371    HA   MET  46           HA       MET  46 -10.988 -10.858   0.428
  372   1HB   MET  46          2HB       MET  46 -10.794  -8.024  -0.646
  373   2HB   MET  46          1HB       MET  46 -10.040  -9.434  -1.391
  374   1HG   MET  46          2HG       MET  46 -12.994  -9.411  -0.810
  375   2HG   MET  46          1HG       MET  46 -12.363  -8.666  -2.279
  376   1HE   MET  46          1HE       MET  46 -10.714  -9.705  -3.758
  377   2HE   MET  46          2HE       MET  46 -12.268 -10.102  -4.485
  378   3HE   MET  46          3HE       MET  46 -10.997 -11.320  -4.423
  379    H    TRP  47           H        TRP  47 -10.019  -7.605   1.561
  380    HA   TRP  47           HA       TRP  47  -7.229  -8.026   1.772
  381   1HB   TRP  47          2HB       TRP  47  -8.495  -5.878   2.000
  382   2HB   TRP  47          1HB       TRP  47  -9.029  -6.403   3.598
  383    HD1  TRP  47           HD       TRP  47  -7.484  -5.873   5.554
  384    HE1  TRP  47           1HE      TRP  47  -5.052  -5.052   5.803
  385    HE3  TRP  47           3HE      TRP  47  -5.993  -6.036   0.673
  386    HZ2  TRP  47           2HZ      TRP  47  -2.776  -4.532   4.150
  387    HZ3  TRP  47           3HZ      TRP  47  -3.692  -5.372   0.038
  388    HH2  TRP  47           HH       TRP  47  -2.083  -4.622   1.768
  389    H    SER  48           H        SER  48  -9.810  -9.270   3.791
  390    HA   SER  48           HA       SER  48  -7.969  -9.955   6.008
  391   1HB   SER  48          2HB       SER  48 -10.331  -9.094   6.279
  392   2HB   SER  48          1HB       SER  48 -10.901 -10.604   5.573
  393    HG   SER  48           HG       SER  48 -10.427 -10.198   8.062
  394    H    GLU  49           H        GLU  49  -9.788 -11.526   3.399
  395    HA   GLU  49           HA       GLU  49  -9.329 -14.252   4.182
  396   1HB   GLU  49          2HB       GLU  49  -9.938 -12.799   1.605
  397   2HB   GLU  49          1HB       GLU  49  -9.731 -14.551   1.629
  398   1HG   GLU  49          2HG       GLU  49 -11.535 -14.809   3.218
  399   2HG   GLU  49          1HG       GLU  49 -11.663 -13.063   3.427
  400    H    GLN  50           H        GLN  50  -7.433 -11.940   2.282
  401    HA   GLN  50           HA       GLN  50  -5.496 -13.698   1.160
  402   1HB   GLN  50          2HB       GLN  50  -5.356 -10.829   2.138
  403   2HB   GLN  50          1HB       GLN  50  -4.102 -11.589   1.157
  404   1HG   GLN  50          2HG       GLN  50  -6.977 -11.629   0.260
  405   2HG   GLN  50          1HG       GLN  50  -5.959 -10.223  -0.055
  406   1HE2  GLN  50          1HE2      GLN  50  -6.978 -13.019  -1.507
  407   2HE2  GLN  50          2HE2      GLN  50  -5.649 -13.320  -2.519
  408    H    SER  51           H        SER  51  -3.420 -14.337   1.915
  409    HA   SER  51           HA       SER  51  -3.204 -14.638   4.852
  410   1HB   SER  51          2HB       SER  51  -2.869 -16.466   3.109
  411   2HB   SER  51          1HB       SER  51  -1.395 -15.629   2.626
  412    HG   SER  51           HG       SER  51  -2.026 -16.937   5.036
  413    H    ALA  52           H        ALA  52  -0.250 -14.763   4.757
  414    HA   ALA  52           HA       ALA  52   0.302 -11.888   5.084
  415   1HB   ALA  52          1HB       ALA  52   2.446 -12.785   5.975
  416   2HB   ALA  52          2HB       ALA  52   1.968 -14.400   5.450
  417   3HB   ALA  52          3HB       ALA  52   1.052 -13.577   6.712
  418    H    LYS  53           H        LYS  53  -0.216 -12.215   2.422
  419    HA   LYS  53           HA       LYS  53   2.502 -12.086   1.161
  420   1HB   LYS  53          2HB       LYS  53  -0.010 -13.555   0.384
  421   2HB   LYS  53          1HB       LYS  53   1.154 -13.081  -0.855
  422   1HG   LYS  53          2HG       LYS  53   2.945 -14.233   0.472
  423   2HG   LYS  53          1HG       LYS  53   1.693 -14.821   1.568
  424   1HD   LYS  53          2HD       LYS  53   0.697 -16.165  -0.094
  425   2HD   LYS  53          1HD       LYS  53   1.491 -15.288  -1.403
  426   1HE   LYS  53          2HE       LYS  53   3.712 -16.147  -0.452
  427   2HE   LYS  53          1HE       LYS  53   2.736 -17.254   0.535
  428   1HZ   LYS  53          1HZ       LYS  53   3.295 -18.269  -1.591
  429   2HZ   LYS  53          2HZ       LYS  53   2.581 -16.969  -2.421
  430   3HZ   LYS  53          3HZ       LYS  53   1.623 -18.007  -1.478
  431    H    ASP  54           H        ASP  54  -0.946 -11.202   0.873
  432    HA   ASP  54           HA       ASP  54  -0.721  -9.319  -1.246
  433   1HB   ASP  54          2HB       ASP  54  -2.756 -10.381  -0.014
  434   2HB   ASP  54          1HB       ASP  54  -2.595  -9.022   1.099
  435    H    LYS  55           H        LYS  55  -0.070  -8.977   2.223
  436    HA   LYS  55           HA       LYS  55   0.418  -6.057   1.876
  437   1HB   LYS  55          2HB       LYS  55  -1.003  -7.164   3.721
  438   2HB   LYS  55          1HB       LYS  55   0.529  -7.681   4.421
  439   1HG   LYS  55          2HG       LYS  55   1.242  -5.220   4.269
  440   2HG   LYS  55          1HG       LYS  55  -0.457  -4.862   3.963
  441   1HD   LYS  55          2HD       LYS  55  -1.053  -6.035   6.080
  442   2HD   LYS  55          1HD       LYS  55   0.665  -6.276   6.400
  443   1HE   LYS  55          2HE       LYS  55   1.043  -3.871   6.498
  444   2HE   LYS  55          1HE       LYS  55  -0.636  -3.554   6.014
  445   1HZ   LYS  55          1HZ       LYS  55  -0.364  -3.485   8.437
  446   2HZ   LYS  55          2HZ       LYS  55   0.190  -5.091   8.422
  447   3HZ   LYS  55          3HZ       LYS  55  -1.406  -4.735   7.961
  448    H    GLN  56           H        GLN  56   2.292  -8.319   0.935
  449    HA   GLN  56           HA       GLN  56   4.636  -7.830   2.699
  450   1HB   GLN  56          2HB       GLN  56   3.691  -9.901   0.850
  451   2HB   GLN  56          1HB       GLN  56   5.401  -9.532   0.645
  452   1HG   GLN  56          2HG       GLN  56   4.219  -9.993   3.382
  453   2HG   GLN  56          1HG       GLN  56   4.770 -11.340   2.385
  454   1HE2  GLN  56          1HE2      GLN  56   5.853  -8.463   4.157
  455   2HE2  GLN  56          2HE2      GLN  56   7.508  -8.838   4.099
  456    HA   PRO  57           HA       PRO  57   6.306  -6.124  -1.369
  457   1HB   PRO  57          2HB       PRO  57   4.848  -6.191  -3.656
  458   2HB   PRO  57          1HB       PRO  57   5.836  -7.559  -3.108
  459   1HG   PRO  57          2HG       PRO  57   2.924  -7.200  -3.054
  460   2HG   PRO  57          1HG       PRO  57   3.871  -8.686  -3.145
  461   1HD   PRO  57          2HD       PRO  57   2.594  -7.616  -0.871
  462   2HD   PRO  57          1HD       PRO  57   3.740  -8.972  -0.916
  463    H    TYR  58           H        TYR  58   2.818  -5.569  -1.085
  464    HA   TYR  58           HA       TYR  58   2.960  -2.838  -2.144
  465   1HB   TYR  58          2HB       TYR  58   1.024  -4.862  -1.657
  466   2HB   TYR  58          1HB       TYR  58   0.540  -3.472  -0.687
  467    HD1  TYR  58           1HD      TYR  58   1.585  -4.466  -4.136
  468    HD2  TYR  58           2HD      TYR  58  -0.486  -1.601  -1.695
  469    HE1  TYR  58           1HE      TYR  58   0.734  -3.342  -6.176
  470    HE2  TYR  58           2HE      TYR  58  -1.336  -0.477  -3.736
  471    HH   TYR  58           HH       TYR  58  -0.248  -0.472  -6.419
  472    H    GLU  59           H        GLU  59   3.545  -4.229   0.951
  473    HA   GLU  59           HA       GLU  59   2.588  -1.970   2.540
  474   1HB   GLU  59          2HB       GLU  59   3.568  -3.245   4.373
  475   2HB   GLU  59          1HB       GLU  59   2.741  -4.350   3.286
  476   1HG   GLU  59          2HG       GLU  59   4.750  -5.482   3.538
  477   2HG   GLU  59          1HG       GLU  59   5.142  -4.479   2.142
  478    H    GLN  60           H        GLN  60   5.597  -2.835   0.948
  479    HA   GLN  60           HA       GLN  60   7.274  -0.965   2.426
  480   1HB   GLN  60          2HB       GLN  60   8.918  -1.598   0.695
  481   2HB   GLN  60          1HB       GLN  60   8.089  -3.022   1.319
  482   1HG   GLN  60          2HG       GLN  60   6.447  -2.300  -0.760
  483   2HG   GLN  60          1HG       GLN  60   8.029  -1.841  -1.386
  484   1HE2  GLN  60          1HE2      GLN  60   8.465  -3.575  -2.815
  485   2HE2  GLN  60          2HE2      GLN  60   8.511  -5.202  -2.336
  486    H    LYS  61           H        LYS  61   5.090  -0.686  -0.271
  487    HA   LYS  61           HA       LYS  61   6.251   1.575  -1.611
  488   1HB   LYS  61          2HB       LYS  61   4.503   0.114  -2.554
  489   2HB   LYS  61          1HB       LYS  61   3.377   0.635  -1.302
  490   1HG   LYS  61          2HG       LYS  61   3.280   2.853  -2.167
  491   2HG   LYS  61          1HG       LYS  61   4.684   2.589  -3.204
  492   1HD   LYS  61          2HD       LYS  61   3.154   0.650  -4.190
  493   2HD   LYS  61          1HD       LYS  61   1.858   1.670  -3.563
  494   1HE   LYS  61          2HE       LYS  61   2.989   3.620  -4.794
  495   2HE   LYS  61          1HE       LYS  61   3.949   2.387  -5.633
  496   1HZ   LYS  61          1HZ       LYS  61   0.984   2.381  -5.447
  497   2HZ   LYS  61          2HZ       LYS  61   1.944   1.283  -6.318
  498   3HZ   LYS  61          3HZ       LYS  61   1.857   2.910  -6.802
  499    H    ALA  62           H        ALA  62   3.831   1.349   1.014
  500    HA   ALA  62           HA       ALA  62   3.677   4.271   1.276
  501   1HB   ALA  62          1HB       ALA  62   2.259   3.519   3.289
  502   2HB   ALA  62          2HB       ALA  62   2.558   1.870   2.742
  503   3HB   ALA  62          3HB       ALA  62   1.695   3.001   1.700
  504    H    ALA  63           H        ALA  63   5.715   1.749   2.489
  505    HA   ALA  63           HA       ALA  63   6.412   2.751   5.069
  506   1HB   ALA  63          1HB       ALA  63   7.025   0.531   4.151
  507   2HB   ALA  63          2HB       ALA  63   8.459   1.402   4.692
  508   3HB   ALA  63          3HB       ALA  63   8.078   1.312   2.972
  509    H    LYS  64           H        LYS  64   7.305   3.748   1.807
  510    HA   LYS  64           HA       LYS  64   9.510   5.480   2.662
  511   1HB   LYS  64          2HB       LYS  64   9.570   4.413   0.507
  512   2HB   LYS  64          1HB       LYS  64   7.958   4.990   0.123
  513   1HG   LYS  64          2HG       LYS  64   8.767   6.909  -0.718
  514   2HG   LYS  64          1HG       LYS  64   9.667   7.233   0.763
  515   1HD   LYS  64          2HD       LYS  64  11.292   7.076  -0.998
  516   2HD   LYS  64          1HD       LYS  64  11.412   5.583  -0.065
  517   1HE   LYS  64          2HE       LYS  64  10.034   4.399  -1.718
  518   2HE   LYS  64          1HE       LYS  64   9.828   5.901  -2.643
  519   1HZ   LYS  64          1HZ       LYS  64  11.671   4.660  -3.547
  520   2HZ   LYS  64          2HZ       LYS  64  12.403   4.553  -2.018
  521   3HZ   LYS  64          3HZ       LYS  64  12.262   6.059  -2.791
  522    H    LEU  65           H        LEU  65   6.450   6.193   0.957
  523    HA   LEU  65           HA       LEU  65   6.324   8.960   1.364
  524   1HB   LEU  65          2HB       LEU  65   4.279   6.764   1.107
  525   2HB   LEU  65          1HB       LEU  65   3.762   8.440   1.290
  526    HG   LEU  65           HG       LEU  65   5.622   8.785  -0.622
  527   1HD1  LEU  65          1HD1      LEU  65   5.091   6.794  -2.247
  528   2HD1  LEU  65          2HD1      LEU  65   4.734   5.915  -0.761
  529   3HD1  LEU  65          3HD1      LEU  65   6.341   6.593  -1.019
  530   1HD2  LEU  65          1HD2      LEU  65   3.261   9.483  -0.744
  531   2HD2  LEU  65          2HD2      LEU  65   2.780   7.820  -1.080
  532   3HD2  LEU  65          3HD2      LEU  65   3.754   8.710  -2.251
  533    H    LYS  66           H        LYS  66   5.737   6.427   3.715
  534    HA   LYS  66           HA       LYS  66   4.170   7.894   5.620
  535   1HB   LYS  66          2HB       LYS  66   4.513   5.448   5.629
  536   2HB   LYS  66          1HB       LYS  66   6.226   5.683   5.972
  537   1HG   LYS  66          2HG       LYS  66   5.856   6.125   8.173
  538   2HG   LYS  66          1HG       LYS  66   4.411   7.079   7.837
  539   1HD   LYS  66          2HD       LYS  66   3.022   5.184   7.773
  540   2HD   LYS  66          1HD       LYS  66   4.375   4.087   7.495
  541   1HE   LYS  66          2HE       LYS  66   5.209   4.583   9.802
  542   2HE   LYS  66          1HE       LYS  66   3.760   5.571  10.075
  543   1HZ   LYS  66          1HZ       LYS  66   3.819   2.697   9.318
  544   2HZ   LYS  66          2HZ       LYS  66   2.409   3.639   9.431
  545   3HZ   LYS  66          3HZ       LYS  66   3.340   3.330  10.817
  546    H    GLU  67           H        GLU  67   7.701   7.300   5.496
  547    HA   GLU  67           HA       GLU  67   8.405   9.006   7.681
  548   1HB   GLU  67          2HB       GLU  67   9.844   7.987   5.219
  549   2HB   GLU  67          1HB       GLU  67  10.668   8.928   6.463
  550   1HG   GLU  67          2HG       GLU  67  10.149   7.282   8.151
  551   2HG   GLU  67          1HG       GLU  67   9.103   6.399   7.038
  552    H    LYS  68           H        LYS  68   8.431   9.631   4.153
  553    HA   LYS  68           HA       LYS  68   9.305  12.341   4.256
  554   1HB   LYS  68          2HB       LYS  68   7.573  10.761   2.338
  555   2HB   LYS  68          1HB       LYS  68   8.122  12.400   1.991
  556   1HG   LYS  68          2HG       LYS  68  10.064  10.230   2.784
  557   2HG   LYS  68          1HG       LYS  68   9.576  10.460   1.104
  558   1HD   LYS  68          2HD       LYS  68  10.416  12.717   1.086
  559   2HD   LYS  68          1HD       LYS  68  10.688  12.686   2.829
  560   1HE   LYS  68          2HE       LYS  68  12.843  12.293   1.881
  561   2HE   LYS  68          1HE       LYS  68  12.268  10.676   2.337
  562   1HZ   LYS  68          1HZ       LYS  68  11.399  10.377   0.113
  563   2HZ   LYS  68          2HZ       LYS  68  13.058  10.733   0.033
  564   3HZ   LYS  68          3HZ       LYS  68  11.910  11.931  -0.334
  565    H    TYR  69           H        TYR  69   6.144  10.916   4.835
  566    HA   TYR  69           HA       TYR  69   4.680  13.447   4.652
  567   1HB   TYR  69          2HB       TYR  69   4.170  10.574   5.288
  568   2HB   TYR  69          1HB       TYR  69   3.013  11.748   5.910
  569    HD1  TYR  69           1HD      TYR  69   5.001  11.596   2.723
  570    HD2  TYR  69           2HD      TYR  69   1.116  11.762   4.551
  571    HE1  TYR  69           1HE      TYR  69   3.954  11.761   0.482
  572    HE2  TYR  69           2HE      TYR  69   0.071  11.927   2.308
  573    HH   TYR  69           HH       TYR  69   1.519  12.832  -0.333
  574    H    GLU  70           H        GLU  70   5.117  11.166   7.381
  575    HA   GLU  70           HA       GLU  70   4.351  12.841   9.494
  576   1HB   GLU  70          2HB       GLU  70   6.531  10.735   9.350
  577   2HB   GLU  70          1HB       GLU  70   5.829  11.340  10.850
  578   1HG   GLU  70          2HG       GLU  70   3.555  10.710   9.575
  579   2HG   GLU  70          1HG       GLU  70   4.631   9.559   8.782
  580    H    LYS  71           H        LYS  71   7.500  12.704   7.866
  581    HA   LYS  71           HA       LYS  71   8.842  14.496   9.733
  582   1HB   LYS  71          2HB       LYS  71   9.401  13.386   6.977
  583   2HB   LYS  71          1HB       LYS  71  10.513  14.507   7.764
  584   1HG   LYS  71          2HG       LYS  71   9.544  12.099   9.273
  585   2HG   LYS  71          1HG       LYS  71  10.836  11.914   8.087
  586   1HD   LYS  71          2HD       LYS  71  11.958  13.915   9.277
  587   2HD   LYS  71          1HD       LYS  71  10.821  13.601  10.589
  588   1HE   LYS  71          2HE       LYS  71  11.637  11.194  10.593
  589   2HE   LYS  71          1HE       LYS  71  12.925  11.713   9.486
  590   1HZ   LYS  71          1HZ       LYS  71  13.600  11.883  11.830
  591   2HZ   LYS  71          2HZ       LYS  71  12.327  12.972  12.112
  592   3HZ   LYS  71          3HZ       LYS  71  13.594  13.393  11.059
  593    H    ASP  72           H        ASP  72   7.645  14.911   6.373
  594    HA   ASP  72           HA       ASP  72   8.183  17.767   6.327
  595   1HB   ASP  72          2HB       ASP  72   8.079  16.125   4.391
  596   2HB   ASP  72          1HB       ASP  72   6.324  16.142   4.572
  597    H    ILE  73           H        ILE  73   5.438  15.826   7.357
  598    HA   ILE  73           HA       ILE  73   3.535  18.049   7.206
  599    HB   ILE  73           HB       ILE  73   3.066  15.545   6.966
  600   1HG1  ILE  73          2HG1      ILE  73   0.911  15.733   8.307
  601   2HG1  ILE  73          1HG1      ILE  73   1.513  17.286   8.888
  602   1HG2  ILE  73          1HG2      ILE  73   4.406  14.955   9.054
  603   2HG2  ILE  73          2HG2      ILE  73   2.821  14.198   8.922
  604   3HG2  ILE  73          3HG2      ILE  73   3.052  15.584   9.989
  605   1HD1  ILE  73          1HD1      ILE  73   0.006  17.373   6.823
  606   2HD1  ILE  73          2HD1      ILE  73   1.337  16.621   5.944
  607   3HD1  ILE  73          3HD1      ILE  73   1.554  18.206   6.686
  608    H    ALA  74           H        ALA  74   5.483  16.472   9.727
  609    HA   ALA  74           HA       ALA  74   4.570  17.457  12.121
  610   1HB   ALA  74          1HB       ALA  74   7.024  17.573  12.740
  611   2HB   ALA  74          2HB       ALA  74   7.396  17.351  11.030
  612   3HB   ALA  74          3HB       ALA  74   6.547  16.087  11.920
  613    H    ALA  75           H        ALA  75   6.255  19.362   9.652
  614    HA   ALA  75           HA       ALA  75   6.594  21.771  11.218
  615   1HB   ALA  75          1HB       ALA  75   7.786  21.199   9.094
  616   2HB   ALA  75          2HB       ALA  75   6.977  22.763   8.985
  617   3HB   ALA  75          3HB       ALA  75   6.260  21.345   8.222
  618    H    TYR  76           H        TYR  76   4.177  20.737   8.813
  619    HA   TYR  76           HA       TYR  76   2.390  22.988   9.194
  620   1HB   TYR  76          2HB       TYR  76   2.637  21.390   7.204
  621   2HB   TYR  76          1HB       TYR  76   1.756  20.202   8.168
  622    HD1  TYR  76           1HD      TYR  76  -0.611  20.393   8.531
  623    HD2  TYR  76           2HD      TYR  76   1.546  23.545   6.567
  624    HE1  TYR  76           1HE      TYR  76  -2.755  21.447   7.867
  625    HE2  TYR  76           2HE      TYR  76  -0.598  24.600   5.903
  626    HH   TYR  76           HH       TYR  76  -3.023  23.742   5.514
  627    H    ARG  77           H        ARG  77   2.010  19.544  10.032
  628    HA   ARG  77           HA       ARG  77  -0.263  19.819  11.732
  629   1HB   ARG  77          2HB       ARG  77   1.856  17.835  11.141
  630   2HB   ARG  77          1HB       ARG  77   1.068  17.633  12.705
  631   1HG   ARG  77          2HG       ARG  77  -1.147  17.933  11.360
  632   2HG   ARG  77          1HG       ARG  77  -0.154  17.545   9.954
  633   1HD   ARG  77          2HD       ARG  77  -0.778  15.392  10.554
  634   2HD   ARG  77          1HD       ARG  77   0.645  15.556  11.603
  635    HE   ARG  77           HE       ARG  77  -1.029  16.471  13.341
  636   1HH1  ARG  77          1HH2      ARG  77  -3.493  16.292  11.738
  637   2HH1  ARG  77          2HH2      ARG  77  -4.130  14.740  12.170
  638   1HH2  ARG  77          1HH1      ARG  77  -1.146  13.592  13.512
  639   2HH2  ARG  77          2HH1      ARG  77  -2.802  13.213  13.175
  640    H    ALA  78           H        ALA  78   3.161  19.376  12.731
  641    HA   ALA  78           HA       ALA  78   4.289  20.031  14.697
  642   1HB   ALA  78          1HB       ALA  78   3.925  22.288  15.281
  643   2HB   ALA  78          2HB       ALA  78   2.196  22.189  14.945
  644   3HB   ALA  78          3HB       ALA  78   3.352  22.216  13.614
  645    H    LYS  79           H        LYS  79   3.015  17.925  15.419
  646    HA   LYS  79           HA       LYS  79   0.773  18.159  17.206
  647   1HB   LYS  79          2HB       LYS  79   1.450  15.845  17.828
  648   2HB   LYS  79          1HB       LYS  79   1.450  16.082  16.080
  649   1HG   LYS  79          2HG       LYS  79   4.016  16.824  16.750
  650   2HG   LYS  79          1HG       LYS  79   3.702  15.524  17.900
  651   1HD   LYS  79          2HD       LYS  79   3.152  15.260  14.934
  652   2HD   LYS  79          1HD       LYS  79   4.681  14.782  15.673
  653   1HE   LYS  79          2HE       LYS  79   2.206  13.747  16.976
  654   2HE   LYS  79          1HE       LYS  79   2.641  13.045  15.405
  655   1HZ   LYS  79          1HZ       LYS  79   4.437  13.328  17.757
  656   2HZ   LYS  79          2HZ       LYS  79   4.912  12.747  16.233
  657   3HZ   LYS  79          3HZ       LYS  79   3.791  11.875  17.166
  Start of MODEL   30
    1   1H    MET   1          1HT       MET   1 -13.267  22.641   0.132
    2   2H    MET   1          2HT       MET   1 -13.656  24.002  -0.809
    3   3H    MET   1          3HT       MET   1 -12.315  24.042   0.234
    4    HA   MET   1           HA       MET   1 -12.581  22.318  -2.181
    5   1HB   MET   1          2HB       MET   1 -12.332  24.871  -2.366
    6   2HB   MET   1          1HB       MET   1 -10.740  24.657  -1.637
    7   1HG   MET   1          2HG       MET   1 -10.125  23.091  -3.451
    8   2HG   MET   1          1HG       MET   1 -11.710  23.330  -4.187
    9   1HE   MET   1          1HE       MET   1 -11.532  24.112  -6.149
   10   2HE   MET   1          2HE       MET   1  -9.798  24.110  -6.466
   11   3HE   MET   1          3HE       MET   1 -10.741  25.566  -6.775
   12    H    LYS   2           H        LYS   2 -11.491  20.444  -1.723
   13    HA   LYS   2           HA       LYS   2  -9.237  20.481   0.223
   14   1HB   LYS   2          2HB       LYS   2 -11.136  18.483  -0.951
   15   2HB   LYS   2          1HB       LYS   2  -9.585  17.898  -0.346
   16   1HG   LYS   2          2HG       LYS   2 -11.050  17.765   1.519
   17   2HG   LYS   2          1HG       LYS   2 -10.104  19.229   1.792
   18   1HD   LYS   2          2HD       LYS   2 -11.882  20.636   1.294
   19   2HD   LYS   2          1HD       LYS   2 -12.679  19.440   0.271
   20   1HE   LYS   2          2HE       LYS   2 -12.679  18.195   2.741
   21   2HE   LYS   2          1HE       LYS   2 -12.941  19.901   3.157
   22   1HZ   LYS   2          1HZ       LYS   2 -14.435  18.346   1.111
   23   2HZ   LYS   2          2HZ       LYS   2 -14.638  20.005   1.415
   24   3HZ   LYS   2          3HZ       LYS   2 -15.042  18.865   2.607
   25    H    LYS   3           H        LYS   3  -7.510  21.321  -1.043
   26    HA   LYS   3           HA       LYS   3  -6.187  19.461  -2.816
   27   1HB   LYS   3          2HB       LYS   3  -8.118  20.543  -4.144
   28   2HB   LYS   3          1HB       LYS   3  -7.166  22.026  -4.079
   29   1HG   LYS   3          2HG       LYS   3  -5.300  20.938  -5.199
   30   2HG   LYS   3          1HG       LYS   3  -6.137  19.386  -5.156
   31   1HD   LYS   3          2HD       LYS   3  -7.379  21.789  -6.491
   32   2HD   LYS   3          1HD       LYS   3  -6.252  20.743  -7.357
   33   1HE   LYS   3          2HE       LYS   3  -7.738  18.778  -6.625
   34   2HE   LYS   3          1HE       LYS   3  -8.940  20.005  -6.176
   35   1HZ   LYS   3          1HZ       LYS   3  -8.765  20.946  -8.392
   36   2HZ   LYS   3          2HZ       LYS   3  -9.219  19.311  -8.484
   37   3HZ   LYS   3          3HZ       LYS   3  -7.621  19.773  -8.830
   38    H    LYS   4           H        LYS   4  -4.814  20.198  -0.846
   39    HA   LYS   4           HA       LYS   4  -3.719  22.813  -0.619
   40   1HB   LYS   4          2HB       LYS   4  -2.821  20.025   0.099
   41   2HB   LYS   4          1HB       LYS   4  -1.793  21.416   0.447
   42   1HG   LYS   4          2HG       LYS   4  -3.541  22.442   1.786
   43   2HG   LYS   4          1HG       LYS   4  -4.679  21.169   1.341
   44   1HD   LYS   4          2HD       LYS   4  -3.890  20.534   3.486
   45   2HD   LYS   4          1HD       LYS   4  -2.972  19.531   2.362
   46   1HE   LYS   4          2HE       LYS   4  -1.026  20.923   2.562
   47   2HE   LYS   4          1HE       LYS   4  -1.940  22.185   3.410
   48   1HZ   LYS   4          1HZ       LYS   4  -1.548  19.402   4.377
   49   2HZ   LYS   4          2HZ       LYS   4  -2.410  20.624   5.183
   50   3HZ   LYS   4          3HZ       LYS   4  -0.731  20.765   4.971
   51    H    ASP   5           H        ASP   5  -2.156  19.937  -2.091
   52    HA   ASP   5           HA       ASP   5  -1.130  21.518  -4.341
   53   1HB   ASP   5          2HB       ASP   5   0.427  20.904  -1.879
   54   2HB   ASP   5          1HB       ASP   5   1.271  20.677  -3.411
   55    HA   PRO   6           HA       PRO   6  -0.963  17.476  -6.097
   56   1HB   PRO   6          2HB       PRO   6   1.106  17.662  -7.878
   57   2HB   PRO   6          1HB       PRO   6  -0.465  18.444  -8.140
   58   1HG   PRO   6          2HG       PRO   6   2.097  19.616  -7.187
   59   2HG   PRO   6          1HG       PRO   6   0.872  20.303  -8.264
   60   1HD   PRO   6          2HD       PRO   6   1.119  20.972  -5.628
   61   2HD   PRO   6          1HD       PRO   6  -0.406  21.071  -6.534
   62    H    ASN   7           H        ASN   7   2.323  18.702  -5.361
   63    HA   ASN   7           HA       ASN   7   3.248  15.958  -4.717
   64   1HB   ASN   7          2HB       ASN   7   4.488  17.725  -6.095
   65   2HB   ASN   7          1HB       ASN   7   4.757  18.577  -4.575
   66   1HD2  ASN   7          1HD2      ASN   7   5.302  15.380  -6.131
   67   2HD2  ASN   7          2HD2      ASN   7   6.686  15.006  -5.223
   68    H    ALA   8           H        ALA   8   1.296  17.544  -2.957
   69    HA   ALA   8           HA       ALA   8   2.919  17.952  -0.502
   70   1HB   ALA   8          1HB       ALA   8   0.358  18.541   0.165
   71   2HB   ALA   8          2HB       ALA   8   0.267  18.749  -1.584
   72   3HB   ALA   8          3HB       ALA   8   1.423  19.692  -0.642
   73    HA   PRO   9           HA       PRO   9   1.665  13.840   0.746
   74   1HB   PRO   9          2HB       PRO   9   2.591  13.904   3.316
   75   2HB   PRO   9          1HB       PRO   9   3.655  13.681   1.913
   76   1HG   PRO   9          2HG       PRO   9   3.133  16.125   3.524
   77   2HG   PRO   9          1HG       PRO   9   4.644  15.546   2.807
   78   1HD   PRO   9          2HD       PRO   9   3.114  17.538   1.728
   79   2HD   PRO   9          1HD       PRO   9   4.192  16.494   0.776
   80    H    LYS  10           H        LYS  10  -0.644  14.667   0.637
   81    HA   LYS  10           HA       LYS  10  -1.745  15.345   3.301
   82   1HB   LYS  10          2HB       LYS  10  -3.625  16.287   2.031
   83   2HB   LYS  10          1HB       LYS  10  -2.100  16.936   1.432
   84   1HG   LYS  10          2HG       LYS  10  -2.482  14.617  -0.084
   85   2HG   LYS  10          1HG       LYS  10  -4.096  15.313   0.043
   86   1HD   LYS  10          2HD       LYS  10  -3.030  17.543  -0.622
   87   2HD   LYS  10          1HD       LYS  10  -1.597  16.612  -1.058
   88   1HE   LYS  10          2HE       LYS  10  -4.291  15.778  -2.122
   89   2HE   LYS  10          1HE       LYS  10  -3.382  17.079  -2.918
   90   1HZ   LYS  10          1HZ       LYS  10  -1.468  15.648  -3.066
   91   2HZ   LYS  10          2HZ       LYS  10  -2.795  14.866  -3.786
   92   3HZ   LYS  10          3HZ       LYS  10  -2.272  14.408  -2.235
   93    H    ARG  11           H        ARG  11  -1.037  12.619   2.251
   94    HA   ARG  11           HA       ARG  11  -3.481  11.244   3.114
   95   1HB   ARG  11          2HB       ARG  11  -3.503  11.972   0.549
   96   2HB   ARG  11          1HB       ARG  11  -2.518  10.519   0.372
   97   1HG   ARG  11          2HG       ARG  11  -4.702   9.694   0.116
   98   2HG   ARG  11          1HG       ARG  11  -4.365   9.380   1.819
   99   1HD   ARG  11          2HD       ARG  11  -5.369  11.876   2.048
  100   2HD   ARG  11          1HD       ARG  11  -6.247  11.340   0.602
  101    HE   ARG  11           HE       ARG  11  -6.148   9.510   2.946
  102   1HH1  ARG  11          1HH2      ARG  11  -7.931  12.193   2.329
  103   2HH1  ARG  11          2HH2      ARG  11  -9.459  11.398   2.151
  104   1HH2  ARG  11          1HH1      ARG  11  -8.091   8.212   2.067
  105   2HH2  ARG  11          2HH1      ARG  11  -9.550   9.144   2.003
  106    HA   PRO  12           HA       PRO  12   0.366   8.935   4.000
  107   1HB   PRO  12          2HB       PRO  12  -0.441   7.942   6.412
  108   2HB   PRO  12          1HB       PRO  12   0.272   9.554   6.216
  109   1HG   PRO  12          2HG       PRO  12  -2.565   8.774   6.575
  110   2HG   PRO  12          1HG       PRO  12  -1.694  10.196   7.159
  111   1HD   PRO  12          2HD       PRO  12  -3.391  10.185   4.992
  112   2HD   PRO  12          1HD       PRO  12  -2.109  11.382   5.268
  113    HA   PRO  13           HA       PRO  13  -1.914   5.278   2.604
  114   1HB   PRO  13          2HB       PRO  13   0.173   4.090   1.297
  115   2HB   PRO  13          1HB       PRO  13  -0.787   5.404   0.589
  116   1HG   PRO  13          2HG       PRO  13   1.937   5.458   1.715
  117   2HG   PRO  13          1HG       PRO  13   1.205   6.475   0.468
  118   1HD   PRO  13          2HD       PRO  13   1.624   7.169   3.158
  119   2HD   PRO  13          1HD       PRO  13   0.636   8.057   1.982
  120    H    SER  14           H        SER  14  -1.768   2.975   3.205
  121    HA   SER  14           HA       SER  14   0.436   2.183   5.027
  122   1HB   SER  14          2HB       SER  14  -1.245   3.431   6.369
  123   2HB   SER  14          1HB       SER  14  -2.486   2.298   5.841
  124    HG   SER  14           HG       SER  14  -1.553   0.719   7.004
  125    H    ALA  15           H        ALA  15   0.097   0.974   2.607
  126    HA   ALA  15           HA       ALA  15  -0.113  -1.147   1.646
  127   1HB   ALA  15          1HB       ALA  15   0.372  -2.749   3.166
  128   2HB   ALA  15          2HB       ALA  15  -1.224  -2.592   3.901
  129   3HB   ALA  15          3HB       ALA  15   0.099  -1.558   4.439
  130    H    PHE  16           H        PHE  16  -2.774  -1.350   4.039
  131    HA   PHE  16           HA       PHE  16  -4.753  -2.402   2.399
  132   1HB   PHE  16          2HB       PHE  16  -4.717  -1.826   4.900
  133   2HB   PHE  16          1HB       PHE  16  -5.244  -0.212   4.419
  134    HD1  PHE  16           1HD      PHE  16  -7.528   0.220   4.093
  135    HD2  PHE  16           2HD      PHE  16  -6.098  -3.829   3.942
  136    HE1  PHE  16           1HE      PHE  16  -9.860  -0.596   3.889
  137    HE2  PHE  16           2HE      PHE  16  -8.432  -4.645   3.740
  138    HZ   PHE  16           HZ       PHE  16 -10.312  -3.029   3.712
  139    H    PHE  17           H        PHE  17  -4.213   1.104   2.947
  140    HA   PHE  17           HA       PHE  17  -6.210   2.087   1.175
  141   1HB   PHE  17          2HB       PHE  17  -4.839   3.347   2.883
  142   2HB   PHE  17          1HB       PHE  17  -3.478   3.276   1.761
  143    HD1  PHE  17           1HD      PHE  17  -3.361   4.710  -0.150
  144    HD2  PHE  17           2HD      PHE  17  -6.941   4.546   2.218
  145    HE1  PHE  17           1HE      PHE  17  -4.244   6.692  -1.350
  146    HE2  PHE  17           2HE      PHE  17  -7.825   6.529   1.017
  147    HZ   PHE  17           HZ       PHE  17  -6.476   7.602  -0.766
  148    H    LEU  18           H        LEU  18  -2.806   1.222   0.573
  149    HA   LEU  18           HA       LEU  18  -2.614   2.038  -2.144
  150   1HB   LEU  18          2HB       LEU  18  -1.331  -0.347  -0.761
  151   2HB   LEU  18          1HB       LEU  18  -0.721   0.468  -2.196
  152    HG   LEU  18           HG       LEU  18  -0.966   1.671   0.584
  153   1HD1  LEU  18          1HD1      LEU  18   1.312   0.667  -1.108
  154   2HD1  LEU  18          2HD1      LEU  18   0.941   0.297   0.576
  155   3HD1  LEU  18          3HD1      LEU  18   1.580   1.882   0.141
  156   1HD2  LEU  18          1HD2      LEU  18  -1.357   3.484  -0.894
  157   2HD2  LEU  18          2HD2      LEU  18  -0.247   2.847  -2.106
  158   3HD2  LEU  18          3HD2      LEU  18   0.384   3.543  -0.614
  159    H    PHE  19           H        PHE  19  -3.549  -1.116  -0.750
  160    HA   PHE  19           HA       PHE  19  -4.067  -2.409  -3.282
  161   1HB   PHE  19          2HB       PHE  19  -3.568  -3.520  -1.101
  162   2HB   PHE  19          1HB       PHE  19  -5.136  -2.983  -0.497
  163    HD1  PHE  19           1HD      PHE  19  -3.439  -5.141  -2.988
  164    HD2  PHE  19           2HD      PHE  19  -7.178  -4.061  -1.171
  165    HE1  PHE  19           1HE      PHE  19  -4.516  -7.119  -4.029
  166    HE2  PHE  19           2HE      PHE  19  -8.255  -6.038  -2.212
  167    HZ   PHE  19           HZ       PHE  19  -6.924  -7.567  -3.641
  168    H    CYS  20           H        CYS  20  -6.277  -1.059  -0.801
  169    HA   CYS  20           HA       CYS  20  -8.732  -1.500  -2.137
  170   1HB   CYS  20          2HB       CYS  20  -7.666   0.456  -0.128
  171   2HB   CYS  20          1HB       CYS  20  -9.293   0.697  -0.765
  172    HG   CYS  20           HG       CYS  20  -8.388  -1.812   0.859
  173    H    SER  21           H        SER  21  -6.780   1.516  -2.159
  174    HA   SER  21           HA       SER  21  -8.341   2.960  -4.040
  175   1HB   SER  21          2HB       SER  21  -6.531   3.857  -2.594
  176   2HB   SER  21          1HB       SER  21  -5.342   2.993  -3.565
  177    HG   SER  21           HG       SER  21  -6.093   5.367  -4.010
  178    H    GLU  22           H        GLU  22  -5.873   0.482  -4.536
  179    HA   GLU  22           HA       GLU  22  -5.734   0.944  -7.438
  180   1HB   GLU  22          2HB       GLU  22  -4.465  -0.800  -5.380
  181   2HB   GLU  22          1HB       GLU  22  -4.359  -1.300  -7.064
  182   1HG   GLU  22          2HG       GLU  22  -3.557   1.439  -6.043
  183   2HG   GLU  22          1HG       GLU  22  -2.425   0.119  -6.340
  184    H    TYR  23           H        TYR  23  -7.349  -1.257  -5.198
  185    HA   TYR  23           HA       TYR  23  -8.336  -2.930  -7.454
  186   1HB   TYR  23          2HB       TYR  23  -8.083  -3.149  -4.477
  187   2HB   TYR  23          1HB       TYR  23  -9.276  -4.155  -5.299
  188    HD1  TYR  23           1HD      TYR  23  -8.619  -6.139  -6.374
  189    HD2  TYR  23           2HD      TYR  23  -5.670  -3.163  -5.425
  190    HE1  TYR  23           1HE      TYR  23  -6.822  -7.690  -7.091
  191    HE2  TYR  23           2HE      TYR  23  -3.873  -4.715  -6.142
  192    HH   TYR  23           HH       TYR  23  -4.005  -7.725  -6.315
  193    H    ARG  24           H        ARG  24  -9.355  -0.082  -6.240
  194    HA   ARG  24           HA       ARG  24 -12.140  -0.678  -5.634
  195   1HB   ARG  24          2HB       ARG  24 -10.331   1.671  -5.803
  196   2HB   ARG  24          1HB       ARG  24 -12.049   1.976  -6.058
  197   1HG   ARG  24          2HG       ARG  24 -12.643   1.164  -3.927
  198   2HG   ARG  24          1HG       ARG  24 -11.108   0.322  -3.725
  199   1HD   ARG  24          2HD       ARG  24  -9.969   2.256  -3.128
  200   2HD   ARG  24          1HD       ARG  24 -11.053   3.304  -4.065
  201    HE   ARG  24           HE       ARG  24 -12.011   1.902  -1.599
  202   1HH1  ARG  24          1HH1      ARG  24 -10.634   4.685  -1.523
  203   2HH1  ARG  24          2HH1      ARG  24 -12.028   5.711  -1.441
  204   1HH2  ARG  24          1HH2      ARG  24 -14.246   3.220  -2.386
  205   2HH2  ARG  24          2HH2      ARG  24 -14.072   4.881  -1.930
  206    HA   PRO  25           HA       PRO  25 -12.832   1.365  -9.964
  207   1HB   PRO  25          2HB       PRO  25 -10.744   1.239 -11.740
  208   2HB   PRO  25          1HB       PRO  25 -11.076   2.645 -10.708
  209   1HG   PRO  25          2HG       PRO  25  -9.114   0.438 -10.319
  210   2HG   PRO  25          1HG       PRO  25  -8.919   2.178 -10.055
  211   1HD   PRO  25          2HD       PRO  25  -9.332   0.481  -8.039
  212   2HD   PRO  25          1HD       PRO  25  -9.995   2.126  -8.008
  213    H    LYS  26           H        LYS  26 -11.044  -1.511  -9.267
  214    HA   LYS  26           HA       LYS  26 -11.676  -3.009 -11.680
  215   1HB   LYS  26          2HB       LYS  26  -9.857  -3.437  -9.933
  216   2HB   LYS  26          1HB       LYS  26 -11.147  -3.995  -8.863
  217   1HG   LYS  26          2HG       LYS  26 -10.926  -5.139 -11.633
  218   2HG   LYS  26          1HG       LYS  26  -9.864  -5.739 -10.360
  219   1HD   LYS  26          2HD       LYS  26 -12.043  -5.958  -8.956
  220   2HD   LYS  26          1HD       LYS  26 -12.869  -5.856 -10.511
  221   1HE   LYS  26          2HE       LYS  26 -11.865  -7.850 -11.309
  222   2HE   LYS  26          1HE       LYS  26 -10.606  -7.815 -10.059
  223   1HZ   LYS  26          1HZ       LYS  26 -12.284  -8.112  -8.371
  224   2HZ   LYS  26          2HZ       LYS  26 -12.407  -9.371  -9.505
  225   3HZ   LYS  26          3HZ       LYS  26 -13.519  -8.085  -9.531
  226    H    ILE  27           H        ILE  27 -12.980  -2.908  -8.363
  227    HA   ILE  27           HA       ILE  27 -15.147  -4.701  -8.611
  228    HB   ILE  27           HB       ILE  27 -15.139  -2.069  -7.097
  229   1HG1  ILE  27          2HG1      ILE  27 -13.077  -3.063  -6.439
  230   2HG1  ILE  27          1HG1      ILE  27 -14.214  -3.479  -5.175
  231   1HG2  ILE  27          1HG2      ILE  27 -16.507  -4.725  -6.653
  232   2HG2  ILE  27          2HG2      ILE  27 -17.262  -3.172  -7.017
  233   3HG2  ILE  27          3HG2      ILE  27 -16.475  -3.426  -5.459
  234   1HD1  ILE  27          1HD1      ILE  27 -14.599  -5.657  -6.524
  235   2HD1  ILE  27          2HD1      ILE  27 -13.105  -5.505  -5.600
  236   3HD1  ILE  27          3HD1      ILE  27 -13.094  -5.240  -7.343
  237    H    LYS  28           H        LYS  28 -14.923  -1.273  -9.397
  238    HA   LYS  28           HA       LYS  28 -17.707  -0.856  -9.941
  239   1HB   LYS  28          2HB       LYS  28 -15.648   0.769 -11.390
  240   2HB   LYS  28          1HB       LYS  28 -17.089   1.295 -10.537
  241   1HG   LYS  28          2HG       LYS  28 -14.398   0.582  -9.397
  242   2HG   LYS  28          1HG       LYS  28 -15.230   2.116  -9.294
  243   1HD   LYS  28          2HD       LYS  28 -16.017  -0.456  -7.881
  244   2HD   LYS  28          1HD       LYS  28 -15.325   0.983  -7.143
  245   1HE   LYS  28          2HE       LYS  28 -17.918   1.111  -8.708
  246   2HE   LYS  28          1HE       LYS  28 -17.885   0.749  -6.971
  247   1HZ   LYS  28          1HZ       LYS  28 -16.485   2.744  -6.674
  248   2HZ   LYS  28          2HZ       LYS  28 -18.036   3.116  -7.257
  249   3HZ   LYS  28          3HZ       LYS  28 -16.705   3.125  -8.312
  250    H    SER  29           H        SER  29 -14.969  -1.690 -12.061
  251    HA   SER  29           HA       SER  29 -16.269  -1.498 -14.575
  252   1HB   SER  29          2HB       SER  29 -13.825  -1.870 -14.065
  253   2HB   SER  29          1HB       SER  29 -14.212  -3.546 -13.693
  254    HG   SER  29           HG       SER  29 -13.532  -2.895 -15.950
  255    H    GLU  30           H        GLU  30 -16.595  -3.914 -12.060
  256    HA   GLU  30           HA       GLU  30 -18.245  -5.614 -13.899
  257   1HB   GLU  30          2HB       GLU  30 -16.212  -6.090 -11.838
  258   2HB   GLU  30          1HB       GLU  30 -17.660  -7.063 -11.593
  259   1HG   GLU  30          2HG       GLU  30 -16.362  -6.865 -14.309
  260   2HG   GLU  30          1HG       GLU  30 -15.802  -8.036 -13.114
  261    H    HIS  31           H        HIS  31 -18.239  -3.750 -10.937
  262    HA   HIS  31           HA       HIS  31 -21.065  -4.605 -10.408
  263   1HB   HIS  31          2HB       HIS  31 -18.985  -3.512  -8.480
  264   2HB   HIS  31          1HB       HIS  31 -20.571  -4.147  -8.057
  265    HD1  HIS  31           1HD      HIS  31 -17.110  -5.182  -8.915
  266    HD2  HIS  31           2HD      HIS  31 -20.801  -7.025  -8.323
  267    HE1  HIS  31           1HE      HIS  31 -16.644  -7.658  -8.691
  268    HA   PRO  32           HA       PRO  32 -21.271  -0.178 -11.512
  269   1HB   PRO  32          2HB       PRO  32 -23.824  -0.257 -12.492
  270   2HB   PRO  32          1HB       PRO  32 -22.401  -0.681 -13.454
  271   1HG   PRO  32          2HG       PRO  32 -24.402  -2.443 -12.171
  272   2HG   PRO  32          1HG       PRO  32 -23.501  -2.661 -13.678
  273   1HD   PRO  32          2HD       PRO  32 -22.908  -3.908 -11.291
  274   2HD   PRO  32          1HD       PRO  32 -21.773  -3.687 -12.637
  275    H    GLY  33           H        GLY  33 -23.491  -2.211  -9.703
  276   1HA   GLY  33          2HA       GLY  33 -24.821   0.076  -8.428
  277   2HA   GLY  33          1HA       GLY  33 -25.133  -1.625  -8.099
  278    H    LEU  34           H        LEU  34 -21.938  -1.688  -7.906
  279    HA   LEU  34           HA       LEU  34 -21.778  -1.807  -5.058
  280   1HB   LEU  34          2HB       LEU  34 -20.120  -2.187  -7.383
  281   2HB   LEU  34          1HB       LEU  34 -19.213  -1.253  -6.201
  282    HG   LEU  34           HG       LEU  34 -18.911  -3.713  -5.930
  283   1HD1  LEU  34          1HD1      LEU  34 -19.965  -1.895  -3.840
  284   2HD1  LEU  34          2HD1      LEU  34 -18.435  -2.768  -3.912
  285   3HD1  LEU  34          3HD1      LEU  34 -19.905  -3.607  -3.418
  286   1HD2  LEU  34          1HD2      LEU  34 -20.651  -5.164  -5.781
  287   2HD2  LEU  34          2HD2      LEU  34 -21.640  -3.845  -6.404
  288   3HD2  LEU  34          3HD2      LEU  34 -21.536  -4.121  -4.667
  289    H    SER  35           H        SER  35 -22.790   0.300  -4.457
  290    HA   SER  35           HA       SER  35 -21.536   2.836  -5.085
  291   1HB   SER  35          2HB       SER  35 -23.367   1.966  -2.825
  292   2HB   SER  35          1HB       SER  35 -23.047   3.637  -3.280
  293    HG   SER  35           HG       SER  35 -24.939   2.234  -4.213
  294    H    ILE  36           H        ILE  36 -20.637   4.248  -3.210
  295    HA   ILE  36           HA       ILE  36 -18.219   3.237  -2.190
  296    HB   ILE  36           HB       ILE  36 -20.066   5.406  -1.139
  297   1HG1  ILE  36          2HG1      ILE  36 -19.335   5.715  -3.479
  298   2HG1  ILE  36          1HG1      ILE  36 -18.577   6.908  -2.426
  299   1HG2  ILE  36          1HG2      ILE  36 -17.843   6.334  -0.228
  300   2HG2  ILE  36          2HG2      ILE  36 -17.202   4.708  -0.462
  301   3HG2  ILE  36          3HG2      ILE  36 -18.552   4.973   0.642
  302   1HD1  ILE  36          1HD1      ILE  36 -16.849   6.067  -3.869
  303   2HD1  ILE  36          2HD1      ILE  36 -17.323   4.396  -3.565
  304   3HD1  ILE  36          3HD1      ILE  36 -16.575   5.348  -2.282
  305    H    GLY  37           H        GLY  37 -21.463   2.990  -0.845
  306   1HA   GLY  37          2HA       GLY  37 -20.799   2.250   1.824
  307   2HA   GLY  37          1HA       GLY  37 -22.284   1.781   0.992
  308    H    ASP  38           H        ASP  38 -21.928  -0.015  -0.706
  309    HA   ASP  38           HA       ASP  38 -20.838  -2.339   0.602
  310   1HB   ASP  38          2HB       ASP  38 -22.717  -2.020  -1.182
  311   2HB   ASP  38          1HB       ASP  38 -21.398  -2.103  -2.350
  312    H    THR  39           H        THR  39 -19.515  -0.063  -1.731
  313    HA   THR  39           HA       THR  39 -17.317  -1.662  -2.685
  314    HB   THR  39           HB       THR  39 -17.682   1.337  -2.390
  315    HG1  THR  39           1HG      THR  39 -18.141  -0.484  -4.512
  316   1HG2  THR  39          1HG2      THR  39 -15.665  -0.317  -3.920
  317   2HG2  THR  39          2HG2      THR  39 -15.348   0.956  -2.743
  318   3HG2  THR  39          3HG2      THR  39 -16.015   1.364  -4.323
  319    H    ALA  40           H        ALA  40 -17.815   0.226   0.238
  320    HA   ALA  40           HA       ALA  40 -14.998   0.293   1.015
  321   1HB   ALA  40          1HB       ALA  40 -16.030   1.097   3.169
  322   2HB   ALA  40          2HB       ALA  40 -17.617   0.760   2.478
  323   3HB   ALA  40          3HB       ALA  40 -16.584   1.991   1.753
  324    H    LYS  41           H        LYS  41 -17.864  -1.568   2.059
  325    HA   LYS  41           HA       LYS  41 -16.262  -3.292   3.803
  326   1HB   LYS  41          2HB       LYS  41 -18.437  -4.315   4.282
  327   2HB   LYS  41          1HB       LYS  41 -18.571  -2.561   4.319
  328   1HG   LYS  41          2HG       LYS  41 -19.235  -2.861   1.777
  329   2HG   LYS  41          1HG       LYS  41 -19.617  -4.504   2.283
  330   1HD   LYS  41          2HD       LYS  41 -21.612  -3.103   2.476
  331   2HD   LYS  41          1HD       LYS  41 -21.070  -3.595   4.079
  332   1HE   LYS  41          2HE       LYS  41 -19.716  -1.147   3.432
  333   2HE   LYS  41          1HE       LYS  41 -21.447  -0.927   3.101
  334   1HZ   LYS  41          1HZ       LYS  41 -20.259  -2.027   5.594
  335   2HZ   LYS  41          2HZ       LYS  41 -21.925  -1.947   5.266
  336   3HZ   LYS  41          3HZ       LYS  41 -21.018  -0.520   5.426
  337    H    LYS  42           H        LYS  42 -17.026  -3.339   0.433
  338    HA   LYS  42           HA       LYS  42 -17.049  -6.252   0.126
  339   1HB   LYS  42          2HB       LYS  42 -18.220  -4.728  -1.415
  340   2HB   LYS  42          1HB       LYS  42 -16.695  -3.943  -1.821
  341   1HG   LYS  42          2HG       LYS  42 -17.302  -5.553  -3.564
  342   2HG   LYS  42          1HG       LYS  42 -15.853  -6.099  -2.722
  343   1HD   LYS  42          2HD       LYS  42 -16.879  -8.028  -2.182
  344   2HD   LYS  42          1HD       LYS  42 -18.119  -7.132  -1.306
  345   1HE   LYS  42          2HE       LYS  42 -19.546  -7.980  -2.874
  346   2HE   LYS  42          1HE       LYS  42 -18.860  -6.747  -3.950
  347   1HZ   LYS  42          1HZ       LYS  42 -17.747  -9.472  -3.536
  348   2HZ   LYS  42          2HZ       LYS  42 -17.122  -8.287  -4.580
  349   3HZ   LYS  42          3HZ       LYS  42 -18.640  -8.983  -4.893
  350    H    LEU  43           H        LEU  43 -14.755  -3.726  -0.995
  351    HA   LEU  43           HA       LEU  43 -12.609  -5.358  -1.762
  352   1HB   LEU  43          2HB       LEU  43 -12.698  -2.634  -0.435
  353   2HB   LEU  43          1HB       LEU  43 -11.242  -3.303  -1.174
  354    HG   LEU  43           HG       LEU  43 -13.841  -3.117  -2.700
  355   1HD1  LEU  43          1HD1      LEU  43 -13.395  -0.848  -2.033
  356   2HD1  LEU  43          2HD1      LEU  43 -12.828  -1.013  -3.695
  357   3HD1  LEU  43          3HD1      LEU  43 -11.673  -1.028  -2.363
  358   1HD2  LEU  43          1HD2      LEU  43 -12.144  -3.022  -4.605
  359   2HD2  LEU  43          2HD2      LEU  43 -12.213  -4.550  -3.726
  360   3HD2  LEU  43          3HD2      LEU  43 -10.909  -3.406  -3.406
  361    H    GLY  44           H        GLY  44 -13.677  -4.589   1.491
  362   1HA   GLY  44          2HA       GLY  44 -11.243  -5.275   2.872
  363   2HA   GLY  44          1HA       GLY  44 -12.853  -5.235   3.596
  364    H    GLU  45           H        GLU  45 -14.118  -7.122   1.901
  365    HA   GLU  45           HA       GLU  45 -13.613  -9.587   3.185
  366   1HB   GLU  45          2HB       GLU  45 -15.472  -8.587   1.499
  367   2HB   GLU  45          1HB       GLU  45 -14.579  -9.604   0.367
  368   1HG   GLU  45          2HG       GLU  45 -14.778 -11.448   2.171
  369   2HG   GLU  45          1HG       GLU  45 -16.029 -10.426   2.880
  370    H    MET  46           H        MET  46 -12.251  -8.307   0.160
  371    HA   MET  46           HA       MET  46 -10.860 -10.728  -0.609
  372   1HB   MET  46          2HB       MET  46 -10.666  -7.788  -1.289
  373   2HB   MET  46          1HB       MET  46  -9.584  -8.975  -2.020
  374   1HG   MET  46          2HG       MET  46 -12.589  -9.300  -2.058
  375   2HG   MET  46          1HG       MET  46 -11.721  -8.440  -3.329
  376   1HE   MET  46          1HE       MET  46 -13.588 -10.598  -3.698
  377   2HE   MET  46          2HE       MET  46 -13.197 -11.909  -2.587
  378   3HE   MET  46          3HE       MET  46 -12.956 -12.129  -4.318
  379    H    TRP  47           H        TRP  47  -9.696  -7.668   0.842
  380    HA   TRP  47           HA       TRP  47  -6.999  -8.274   1.257
  381   1HB   TRP  47          2HB       TRP  47  -8.293  -6.143   1.729
  382   2HB   TRP  47          1HB       TRP  47  -8.809  -6.880   3.247
  383    HD1  TRP  47           HD       TRP  47  -7.247  -6.584   5.236
  384    HE1  TRP  47           1HE      TRP  47  -4.798  -5.840   5.556
  385    HE3  TRP  47           3HE      TRP  47  -5.795  -6.205   0.355
  386    HZ2  TRP  47           2HZ      TRP  47  -2.525  -5.173   3.952
  387    HZ3  TRP  47           3HZ      TRP  47  -3.485  -5.514  -0.221
  388    HH2  TRP  47           HH       TRP  47  -1.850  -4.999   1.570
  389    H    SER  48           H        SER  48  -9.611  -8.864   3.658
  390    HA   SER  48           HA       SER  48  -8.048 -10.229   5.593
  391   1HB   SER  48          2HB       SER  48 -10.386  -9.366   5.826
  392   2HB   SER  48          1HB       SER  48 -10.945 -10.687   4.805
  393    HG   SER  48           HG       SER  48 -10.388 -12.125   6.357
  394    H    GLU  49           H        GLU  49  -9.667 -11.446   2.678
  395    HA   GLU  49           HA       GLU  49  -9.300 -14.252   3.154
  396   1HB   GLU  49          2HB       GLU  49  -9.985 -12.409   0.951
  397   2HB   GLU  49          1HB       GLU  49  -9.238 -13.914   0.417
  398   1HG   GLU  49          2HG       GLU  49 -11.559 -13.824   2.359
  399   2HG   GLU  49          1HG       GLU  49 -11.768 -13.987   0.615
  400    H    GLN  50           H        GLN  50  -7.274 -11.818   1.520
  401    HA   GLN  50           HA       GLN  50  -5.212 -13.539   0.555
  402   1HB   GLN  50          2HB       GLN  50  -5.213 -10.663   1.520
  403   2HB   GLN  50          1HB       GLN  50  -3.879 -11.401   0.632
  404   1HG   GLN  50          2HG       GLN  50  -6.662 -11.556  -0.486
  405   2HG   GLN  50          1HG       GLN  50  -5.728 -10.074  -0.683
  406   1HE2  GLN  50          1HE2      GLN  50  -4.596 -10.059  -2.623
  407   2HE2  GLN  50          2HE2      GLN  50  -3.937 -11.426  -3.383
  408    H    SER  51           H        SER  51  -3.091 -13.931   1.463
  409    HA   SER  51           HA       SER  51  -3.124 -14.186   4.436
  410   1HB   SER  51          2HB       SER  51  -1.246 -15.377   2.372
  411   2HB   SER  51          1HB       SER  51  -1.467 -15.909   4.036
  412    HG   SER  51           HG       SER  51  -3.414 -16.728   3.524
  413    H    ALA  52           H        ALA  52  -0.181 -14.392   4.521
  414    HA   ALA  52           HA       ALA  52   0.440 -11.508   4.638
  415   1HB   ALA  52          1HB       ALA  52   2.494 -12.390   5.755
  416   2HB   ALA  52          2HB       ALA  52   1.961 -14.030   5.380
  417   3HB   ALA  52          3HB       ALA  52   1.017 -13.025   6.479
  418    H    LYS  53           H        LYS  53   0.093 -12.164   1.976
  419    HA   LYS  53           HA       LYS  53   2.906 -12.209   0.931
  420   1HB   LYS  53          2HB       LYS  53   0.419 -13.700   0.116
  421   2HB   LYS  53          1HB       LYS  53   1.689 -13.387  -1.068
  422   1HG   LYS  53          2HG       LYS  53   3.292 -14.341   0.755
  423   2HG   LYS  53          1HG       LYS  53   1.824 -15.030   1.451
  424   1HD   LYS  53          2HD       LYS  53   2.529 -15.393  -1.465
  425   2HD   LYS  53          1HD       LYS  53   3.100 -16.505  -0.221
  426   1HE   LYS  53          2HE       LYS  53   0.770 -16.961   0.462
  427   2HE   LYS  53          1HE       LYS  53   0.187 -15.839  -0.783
  428   1HZ   LYS  53          1HZ       LYS  53   1.894 -18.223  -1.275
  429   2HZ   LYS  53          2HZ       LYS  53   1.329 -17.143  -2.459
  430   3HZ   LYS  53          3HZ       LYS  53   0.235 -18.125  -1.608
  431    H    ASP  54           H        ASP  54  -0.483 -11.412   0.068
  432    HA   ASP  54           HA       ASP  54   0.232  -9.597  -2.062
  433   1HB   ASP  54          2HB       ASP  54  -1.941 -10.884  -1.615
  434   2HB   ASP  54          1HB       ASP  54  -2.322  -9.624  -0.442
  435    H    LYS  55           H        LYS  55   0.183  -9.186   1.395
  436    HA   LYS  55           HA       LYS  55   0.066  -6.220   1.064
  437   1HB   LYS  55          2HB       LYS  55  -0.500  -6.208   3.449
  438   2HB   LYS  55          1HB       LYS  55  -1.557  -7.321   2.586
  439   1HG   LYS  55          2HG       LYS  55  -0.218  -9.228   3.332
  440   2HG   LYS  55          1HG       LYS  55   0.931  -8.144   4.115
  441   1HD   LYS  55          2HD       LYS  55  -0.549  -7.579   5.816
  442   2HD   LYS  55          1HD       LYS  55  -1.970  -7.963   4.844
  443   1HE   LYS  55          2HE       LYS  55  -1.202 -10.410   4.937
  444   2HE   LYS  55          1HE       LYS  55  -0.077  -9.892   6.211
  445   1HZ   LYS  55          1HZ       LYS  55  -3.017  -9.451   6.192
  446   2HZ   LYS  55          2HZ       LYS  55  -1.948  -8.880   7.383
  447   3HZ   LYS  55          3HZ       LYS  55  -2.186 -10.551   7.179
  448    H    GLN  56           H        GLN  56   2.060  -8.825   2.458
  449    HA   GLN  56           HA       GLN  56   4.013  -7.530   3.893
  450   1HB   GLN  56          2HB       GLN  56   3.916  -9.846   2.035
  451   2HB   GLN  56          1HB       GLN  56   5.525  -9.286   2.492
  452   1HG   GLN  56          2HG       GLN  56   3.376  -9.752   4.560
  453   2HG   GLN  56          1HG       GLN  56   4.421 -11.061   4.006
  454   1HE2  GLN  56          1HE2      GLN  56   6.911 -10.273   3.970
  455   2HE2  GLN  56          2HE2      GLN  56   7.409  -9.465   5.378
  456    HA   PRO  57           HA       PRO  57   6.580  -6.202   0.091
  457   1HB   PRO  57          2HB       PRO  57   5.508  -6.472  -2.409
  458   2HB   PRO  57          1HB       PRO  57   6.465  -7.749  -1.630
  459   1HG   PRO  57          2HG       PRO  57   3.517  -7.486  -1.891
  460   2HG   PRO  57          1HG       PRO  57   4.532  -8.930  -2.020
  461   1HD   PRO  57          2HD       PRO  57   3.073  -8.310   0.195
  462   2HD   PRO  57          1HD       PRO  57   4.581  -9.251   0.249
  463    H    TYR  58           H        TYR  58   3.076  -5.860  -0.275
  464    HA   TYR  58           HA       TYR  58   3.174  -3.176  -1.402
  465   1HB   TYR  58          2HB       TYR  58   1.319  -5.256  -1.022
  466   2HB   TYR  58          1HB       TYR  58   0.704  -3.933  -0.037
  467    HD1  TYR  58           1HD      TYR  58  -0.605  -2.292  -1.066
  468    HD2  TYR  58           2HD      TYR  58   2.179  -4.551  -3.432
  469    HE1  TYR  58           1HE      TYR  58  -1.424  -1.159  -3.114
  470    HE2  TYR  58           2HE      TYR  58   1.360  -3.417  -5.479
  471    HH   TYR  58           HH       TYR  58  -0.905  -2.252  -6.152
  472    H    GLU  59           H        GLU  59   3.725  -4.357   1.748
  473    HA   GLU  59           HA       GLU  59   2.535  -2.164   3.264
  474   1HB   GLU  59          2HB       GLU  59   4.388  -4.481   3.757
  475   2HB   GLU  59          1HB       GLU  59   4.219  -3.236   4.994
  476   1HG   GLU  59          2HG       GLU  59   1.759  -4.443   3.764
  477   2HG   GLU  59          1HG       GLU  59   2.618  -5.317   5.031
  478    H    GLN  60           H        GLN  60   5.939  -3.115   2.662
  479    HA   GLN  60           HA       GLN  60   7.282  -0.904   3.677
  480   1HB   GLN  60          2HB       GLN  60   9.029  -1.499   1.983
  481   2HB   GLN  60          1HB       GLN  60   8.366  -2.908   2.806
  482   1HG   GLN  60          2HG       GLN  60   7.040  -3.512   0.930
  483   2HG   GLN  60          1HG       GLN  60   7.261  -1.939   0.166
  484   1HE2  GLN  60          1HE2      GLN  60   8.883  -1.852  -1.395
  485   2HE2  GLN  60          2HE2      GLN  60  10.166  -2.955  -1.524
  486    H    LYS  61           H        LYS  61   5.433  -1.040   0.672
  487    HA   LYS  61           HA       LYS  61   6.459   1.281  -0.635
  488   1HB   LYS  61          2HB       LYS  61   4.935  -0.423  -1.611
  489   2HB   LYS  61          1HB       LYS  61   3.641   0.144  -0.556
  490   1HG   LYS  61          2HG       LYS  61   3.575   2.281  -1.628
  491   2HG   LYS  61          1HG       LYS  61   5.082   1.968  -2.493
  492   1HD   LYS  61          2HD       LYS  61   3.894   0.013  -3.610
  493   2HD   LYS  61          1HD       LYS  61   2.394   0.645  -2.927
  494   1HE   LYS  61          2HE       LYS  61   3.020   2.887  -4.032
  495   2HE   LYS  61          1HE       LYS  61   4.217   1.957  -4.956
  496   1HZ   LYS  61          1HZ       LYS  61   2.458   0.425  -5.614
  497   2HZ   LYS  61          2HZ       LYS  61   2.098   2.006  -6.119
  498   3HZ   LYS  61          3HZ       LYS  61   1.314   1.345  -4.764
  499    H    ALA  62           H        ALA  62   3.669   0.958   1.589
  500    HA   ALA  62           HA       ALA  62   3.182   3.817   1.727
  501   1HB   ALA  62          1HB       ALA  62   1.315   2.533   2.223
  502   2HB   ALA  62          2HB       ALA  62   1.895   2.862   3.856
  503   3HB   ALA  62          3HB       ALA  62   2.256   1.316   3.086
  504    H    ALA  63           H        ALA  63   5.623   1.868   3.097
  505    HA   ALA  63           HA       ALA  63   5.898   3.395   5.601
  506   1HB   ALA  63          1HB       ALA  63   7.691   1.357   4.237
  507   2HB   ALA  63          2HB       ALA  63   6.397   0.958   5.367
  508   3HB   ALA  63          3HB       ALA  63   7.798   1.874   5.921
  509    H    LYS  64           H        LYS  64   6.575   4.101   2.391
  510    HA   LYS  64           HA       LYS  64   9.120   5.543   2.984
  511   1HB   LYS  64          2HB       LYS  64   7.650   4.573   0.526
  512   2HB   LYS  64          1HB       LYS  64   8.977   5.721   0.403
  513   1HG   LYS  64          2HG       LYS  64   9.163   3.028   1.778
  514   2HG   LYS  64          1HG       LYS  64   9.711   3.341   0.131
  515   1HD   LYS  64          2HD       LYS  64  11.055   5.305   1.277
  516   2HD   LYS  64          1HD       LYS  64  10.861   4.314   2.724
  517   1HE   LYS  64          2HE       LYS  64  11.907   2.401   1.596
  518   2HE   LYS  64          1HE       LYS  64  12.048   3.343   0.097
  519   1HZ   LYS  64          1HZ       LYS  64  13.218   4.107   2.721
  520   2HZ   LYS  64          2HZ       LYS  64  13.363   4.980   1.272
  521   3HZ   LYS  64          3HZ       LYS  64  14.090   3.452   1.422
  522    H    LEU  65           H        LEU  65   5.766   5.916   2.046
  523    HA   LEU  65           HA       LEU  65   6.019   8.814   1.519
  524   1HB   LEU  65          2HB       LEU  65   3.934   6.664   1.328
  525   2HB   LEU  65          1HB       LEU  65   3.405   8.346   1.384
  526    HG   LEU  65           HG       LEU  65   5.219   8.712  -0.463
  527   1HD1  LEU  65          1HD1      LEU  65   4.834   5.720  -0.413
  528   2HD1  LEU  65          2HD1      LEU  65   6.339   6.635  -0.513
  529   3HD1  LEU  65          3HD1      LEU  65   5.263   6.553  -1.908
  530   1HD2  LEU  65          1HD2      LEU  65   2.700   8.824  -0.704
  531   2HD2  LEU  65          2HD2      LEU  65   2.732   7.120  -1.157
  532   3HD2  LEU  65          3HD2      LEU  65   3.548   8.315  -2.164
  533    H    LYS  66           H        LYS  66   5.579   6.781   4.246
  534    HA   LYS  66           HA       LYS  66   3.831   8.577   5.766
  535   1HB   LYS  66          2HB       LYS  66   3.885   6.112   6.061
  536   2HB   LYS  66          1HB       LYS  66   5.578   6.213   6.545
  537   1HG   LYS  66          2HG       LYS  66   4.680   6.305   8.645
  538   2HG   LYS  66          1HG       LYS  66   4.507   8.016   8.256
  539   1HD   LYS  66          2HD       LYS  66   2.230   7.852   7.904
  540   2HD   LYS  66          1HD       LYS  66   2.325   6.166   7.392
  541   1HE   LYS  66          2HE       LYS  66   3.072   6.765  10.224
  542   2HE   LYS  66          1HE       LYS  66   1.350   6.822   9.800
  543   1HZ   LYS  66          1HZ       LYS  66   1.604   4.657   8.717
  544   2HZ   LYS  66          2HZ       LYS  66   1.984   4.570  10.371
  545   3HZ   LYS  66          3HZ       LYS  66   3.225   4.590   9.211
  546    H    GLU  67           H        GLU  67   7.284   7.964   5.353
  547    HA   GLU  67           HA       GLU  67   8.213   9.470   7.637
  548   1HB   GLU  67          2HB       GLU  67   9.335   7.760   5.925
  549   2HB   GLU  67          1HB       GLU  67   9.762   9.246   5.077
  550   1HG   GLU  67          2HG       GLU  67  10.799  10.123   7.144
  551   2HG   GLU  67          1HG       GLU  67  10.394   8.620   7.976
  552    H    LYS  68           H        LYS  68   8.304  10.322   4.153
  553    HA   LYS  68           HA       LYS  68   8.919  13.072   4.469
  554   1HB   LYS  68          2HB       LYS  68   7.388  11.527   2.357
  555   2HB   LYS  68          1HB       LYS  68   7.906  13.199   2.146
  556   1HG   LYS  68          2HG       LYS  68  10.207  12.615   2.259
  557   2HG   LYS  68          1HG       LYS  68   9.848  11.015   2.911
  558   1HD   LYS  68          2HD       LYS  68  10.282  10.527   0.668
  559   2HD   LYS  68          1HD       LYS  68   8.526  10.694   0.669
  560   1HE   LYS  68          2HE       LYS  68   9.201  12.035  -1.168
  561   2HE   LYS  68          1HE       LYS  68   9.015  13.218   0.143
  562   1HZ   LYS  68          1HZ       LYS  68  11.547  11.828  -0.565
  563   2HZ   LYS  68          2HZ       LYS  68  11.352  12.985   0.664
  564   3HZ   LYS  68          3HZ       LYS  68  11.175  13.434  -0.965
  565    H    TYR  69           H        TYR  69   5.877  11.383   4.884
  566    HA   TYR  69           HA       TYR  69   4.156  13.719   4.621
  567   1HB   TYR  69          2HB       TYR  69   3.408  11.391   4.291
  568   2HB   TYR  69          1HB       TYR  69   3.798  11.016   5.968
  569    HD1  TYR  69           1HD      TYR  69   2.569  12.281   7.817
  570    HD2  TYR  69           2HD      TYR  69   1.324  12.353   3.707
  571    HE1  TYR  69           1HE      TYR  69   0.321  13.059   8.513
  572    HE2  TYR  69           2HE      TYR  69  -0.925  13.132   4.403
  573    HH   TYR  69           HH       TYR  69  -2.225  12.807   7.110
  574    H    GLU  70           H        GLU  70   5.040  11.765   7.472
  575    HA   GLU  70           HA       GLU  70   4.198  13.855   9.338
  576   1HB   GLU  70          2HB       GLU  70   5.370  11.098   9.444
  577   2HB   GLU  70          1HB       GLU  70   5.372  12.081  10.909
  578   1HG   GLU  70          2HG       GLU  70   2.855  12.512  10.287
  579   2HG   GLU  70          1HG       GLU  70   3.037  11.037   9.335
  580    H    LYS  71           H        LYS  71   7.214  13.091   7.764
  581    HA   LYS  71           HA       LYS  71   8.793  14.533   9.836
  582   1HB   LYS  71          2HB       LYS  71   9.295  12.272   8.555
  583   2HB   LYS  71          1HB       LYS  71   9.931  13.366   7.326
  584   1HG   LYS  71          2HG       LYS  71  11.401  14.415   8.993
  585   2HG   LYS  71          1HG       LYS  71  10.750  13.358  10.246
  586   1HD   LYS  71          2HD       LYS  71  11.870  12.104   7.768
  587   2HD   LYS  71          1HD       LYS  71  12.994  12.726   8.977
  588   1HE   LYS  71          2HE       LYS  71  10.701  10.943   9.804
  589   2HE   LYS  71          1HE       LYS  71  12.229  10.252   9.220
  590   1HZ   LYS  71          1HZ       LYS  71  12.309  10.607  11.614
  591   2HZ   LYS  71          2HZ       LYS  71  11.950  12.253  11.402
  592   3HZ   LYS  71          3HZ       LYS  71  13.417  11.620  10.825
  593    H    ASP  72           H        ASP  72   7.553  15.027   6.579
  594    HA   ASP  72           HA       ASP  72   9.301  17.425   6.241
  595   1HB   ASP  72          2HB       ASP  72   8.763  15.442   4.547
  596   2HB   ASP  72          1HB       ASP  72   7.368  16.455   4.177
  597    H    ILE  73           H        ILE  73   5.885  16.505   6.560
  598    HA   ILE  73           HA       ILE  73   4.641  18.918   5.767
  599    HB   ILE  73           HB       ILE  73   3.582  16.715   6.363
  600   1HG1  ILE  73          2HG1      ILE  73   1.644  17.864   7.685
  601   2HG1  ILE  73          1HG1      ILE  73   2.599  19.332   7.473
  602   1HG2  ILE  73          1HG2      ILE  73   3.745  17.685   9.224
  603   2HG2  ILE  73          2HG2      ILE  73   4.891  16.525   8.552
  604   3HG2  ILE  73          3HG2      ILE  73   3.177  16.120   8.639
  605   1HD1  ILE  73          1HD1      ILE  73   0.865  18.842   5.650
  606   2HD1  ILE  73          2HD1      ILE  73   1.914  17.513   5.158
  607   3HD1  ILE  73          3HD1      ILE  73   2.506  19.172   5.097
  608    H    ALA  74           H        ALA  74   6.261  18.120   8.813
  609    HA   ALA  74           HA       ALA  74   5.401  20.353  10.389
  610   1HB   ALA  74          1HB       ALA  74   7.974  18.751  10.310
  611   2HB   ALA  74          2HB       ALA  74   6.567  18.440  11.326
  612   3HB   ALA  74          3HB       ALA  74   7.556  19.873  11.605
  613    H    ALA  75           H        ALA  75   8.417  19.933   8.493
  614    HA   ALA  75           HA       ALA  75   9.281  22.674   8.696
  615   1HB   ALA  75          1HB       ALA  75  10.818  20.912   8.062
  616   2HB   ALA  75          2HB       ALA  75  10.649  21.961   6.655
  617   3HB   ALA  75          3HB       ALA  75   9.786  20.424   6.718
  618    H    TYR  76           H        TYR  76   7.277  20.868   6.416
  619    HA   TYR  76           HA       TYR  76   6.840  23.068   4.568
  620   1HB   TYR  76          2HB       TYR  76   6.618  20.399   4.434
  621   2HB   TYR  76          1HB       TYR  76   4.956  20.751   4.909
  622    HD1  TYR  76           1HD      TYR  76   3.515  20.783   3.080
  623    HD2  TYR  76           2HD      TYR  76   7.470  22.404   2.650
  624    HE1  TYR  76           1HE      TYR  76   2.994  21.438   0.746
  625    HE2  TYR  76           2HE      TYR  76   6.948  23.058   0.316
  626    HH   TYR  76           HH       TYR  76   5.036  21.999  -1.504
  627    H    ARG  77           H        ARG  77   3.897  22.675   4.517
  628    HA   ARG  77           HA       ARG  77   1.925  23.525   5.417
  629   1HB   ARG  77          2HB       ARG  77   3.442  22.400   7.576
  630   2HB   ARG  77          1HB       ARG  77   2.708  23.893   8.158
  631   1HG   ARG  77          2HG       ARG  77   0.524  23.045   7.120
  632   2HG   ARG  77          1HG       ARG  77   1.329  21.483   6.963
  633   1HD   ARG  77          2HD       ARG  77   1.495  21.190   9.293
  634   2HD   ARG  77          1HD       ARG  77   1.305  22.925   9.616
  635    HE   ARG  77           HE       ARG  77  -1.058  22.722   9.161
  636   1HH1  ARG  77          1HH1      ARG  77  -0.655  20.566   7.005
  637   2HH1  ARG  77          2HH1      ARG  77  -1.442  19.216   7.752
  638   1HH2  ARG  77          1HH2      ARG  77  -1.485  20.650  10.909
  639   2HH2  ARG  77          2HH2      ARG  77  -1.912  19.264   9.962
  640    H    ALA  78           H        ALA  78   4.564  24.984   7.274
  641    HA   ALA  78           HA       ALA  78   5.181  27.243   7.612
  642   1HB   ALA  78          1HB       ALA  78   5.169  28.569   5.660
  643   2HB   ALA  78          2HB       ALA  78   3.656  27.870   5.086
  644   3HB   ALA  78          3HB       ALA  78   5.144  26.927   5.018
  645    H    LYS  79           H        LYS  79   2.935  26.435   9.021
  646    HA   LYS  79           HA       LYS  79   0.919  28.613   8.683
  647   1HB   LYS  79          2HB       LYS  79   0.976  25.818   9.584
  648   2HB   LYS  79          1HB       LYS  79   0.042  26.867  10.649
  649   1HG   LYS  79          2HG       LYS  79  -1.224  27.701   8.681
  650   2HG   LYS  79          1HG       LYS  79  -0.324  26.589   7.651
  651   1HD   LYS  79          2HD       LYS  79  -1.245  24.674   8.762
  652   2HD   LYS  79          1HD       LYS  79  -1.932  25.672  10.045
  653   1HE   LYS  79          2HE       LYS  79  -2.741  26.146   7.178
  654   2HE   LYS  79          1HE       LYS  79  -3.527  24.874   8.137
  655   1HZ   LYS  79          1HZ       LYS  79  -4.634  27.047   8.382
  656   2HZ   LYS  79          2HZ       LYS  79  -3.195  27.697   9.011
  657   3HZ   LYS  79          3HZ       LYS  79  -4.015  26.470   9.853