*HEADER    STRUCTURAL PROTEIN                      06-SEP-06   2JM0              
*TITLE     SOLUTION STRUCTURE OF CHICKEN VILLIN HEADPIECE SUBDOMAIN              
*TITLE    2 CONTAINING A FLUORINATED SIDE CHAIN IN THE CORE                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: VILLIN-1;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 792-826;                                          
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN GALLUS              
*SOURCE   4 GALLUS (CHICKEN).                                                    
*KEYWDS    FLUORINATED PHE, VHP, CHICKEN VILLIN HEADPIECE                        
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    C.C.CORNILESCU, G.CORNILESCU, E.B.HADLEY, S.H.GELLMAN,                
*AUTHOR   2 J.L.MARKLEY                                                          
*REVDAT   1   17-OCT-06 2JM0    0                                                
assign (resid   2 and name HA  ) (resid   2 and (name HB2 or name HB1  )) 3.2  1.3  1.3
assign (resid   2 and name HA  ) (resid   2 and name HN  )  2.8  1.1  1.1
assign (resid   2 and (name HB1 or name HB2  )) (resid   2 and name HN  )  3.1  1.2  1.2
assign (resid   2 and (name HB2 or name HB1  )) (resid   2 and name HN  )  2.6  1.0  1.0
assign (resid   2 and (name HB1 or name HB2  )) (resid   3 and name HN  )  3.8  1.5  1.5
assign (resid   2 and (name HB2 or name HB1  )) (resid   3 and name HN  )  4.2  1.7  1.7
assign (resid   2 and name HN  ) (resid   3 and name HN  )  3.8  1.5  1.5
assign (resid   2 and (name HB1 or name HB2  )) (resid   4 and name HN  )  3.0  1.2  1.2
assign (resid   2 and (name HB2 or name HB1  )) (resid   4 and name HN  )  4.0  1.6  1.6
assign (resid   2 and name HA  ) (resid   5 and name HN  )  2.3  0.9  0.9
assign (resid   2 and (name HB1 or name HB2  )) (resid   5 and name HN  )  2.5  1.0  1.0
assign (resid   2 and (name HB2 or name HB1  )) (resid   5 and name HN  )  3.1  1.3  1.3
assign (resid   2 and name HN  ) (resid   5 and name HB#  )  3.5  1.4  1.4
assign (resid   3 and name HA  ) (resid   3 and (name HB1 or name HB2  )) 2.8  1.1  1.1
assign (resid   3 and name HA  ) (resid   3 and (name HB2 or name HB1  )) 2.6  1.0  1.0
assign (resid   3 and name HA  ) (resid   3 and name HN  )  2.7  1.1  1.1
assign (resid   3 and (name HB1 or name HB2  )) (resid   3 and name HN  )  2.5  1.0  1.0
assign (resid   3 and (name HB2 or name HB1  )) (resid   3 and name HN  )  2.8  1.1  1.1
assign (resid   3 and (name HB1 or name HB2  )) (resid   4 and name HA  )  3.6  1.4  1.4
assign (resid   3 and (name HB2 or name HB1  )) (resid   4 and name HN  )  2.6  1.0  1.0
assign (resid   3 and name HN  ) (resid   4 and (name HB1 or name HB2  )) 3.0  1.2  1.2
assign (resid   3 and name HN  ) (resid   4 and name HN  )  2.5  1.0  1.0
assign (resid   3 and name HN  ) (resid   5 and name HN  )  4.3  1.7  1.7
assign (resid   3 and name HA  ) (resid   6 and (name HB1 or name HB2  )) 3.7  1.5  1.5
assign (resid   3 and name HA  ) (resid   6 and name HN  )  2.9  1.2  1.2
assign (resid   3 and name HN  ) (resid   6 and (name HB2 or name HB1  )) 4.2  1.7  1.7
assign (resid   3 and (name HB1 or name HB2  )) (resid   7 and name HE  )  4.4  1.8  1.8
assign (resid   3 and name HA  ) (resid  13 and name HG2#  )  3.6  1.4  1.4
assign (resid   3 and name HA  ) (resid  14 and (name HG1 or name HG2  )) 3.3  1.3  1.3
assign (resid   3 and (name HB1 or name HB2  )) (resid  14 and (name HB2 or name HB1  )) 4.0  1.6  1.6
assign (resid   3 and (name HB2 or name HB1  )) (resid  14 and (name HG2 or name HG1  )) 3.0  1.2  1.2
assign (resid   4 and name HA  ) (resid   4 and (name HG1 or name HG2  )) 3.2  1.3  1.3
assign (resid   4 and name HA  ) (resid   4 and name HN  )  2.6  1.0  1.0
assign (resid   4 and (name HB1 or name HB2  )) (resid   4 and (name HG1 or name HG2  )) 2.9  1.1  1.1
assign (resid   4 and (name HB1 or name HB2  )) (resid   4 and name HN  )  2.5  1.0  1.0
assign (resid   4 and (name HB2 or name HB1  )) (resid   4 and (name HG1 or name HG2  )) 2.7  1.1  1.1
assign (resid   4 and (name HG1 or name HG2  )) (resid   4 and name HN  )  3.3  1.3  1.3
assign (resid   4 and (name HB2 or name HB1  )) (resid   5 and name HA  )  2.7  1.1  1.1
assign (resid   4 and name HN  ) (resid   5 and name HN  )  2.6  1.0  1.0
assign (resid   4 and name HA  ) (resid   7 and (name HB2 or name HB1  )) 3.3  1.3  1.3
assign (resid   4 and name HA  ) (resid   7 and name HN  )  3.1  1.2  1.2
assign (resid   4 and name HN  ) (resid   7 and name HN  )  4.3  1.7  1.7
assign (resid   4 and (name HG1 or name HG2  )) (resid   8 and name HB#  )  3.1  1.2  1.2
assign (resid   5 and name HA  ) (resid   5 and name HB#  )  2.4  0.9  0.9
assign (resid   5 and name HA  ) (resid   5 and name HN  )  2.7  1.1  1.1
assign (resid   5 and name HB#  ) (resid   5 and name HN  )  2.3  0.9  0.9
assign (resid   5 and name HA  ) (resid   6 and name HN  )  3.1  1.2  1.2
assign (resid   5 and name HB#  ) (resid   6 and (name HB1 or name HB2  )) 3.8  1.5  1.5
assign (resid   5 and name HB#  ) (resid   6 and name HN  )  3.2  1.3  1.3
assign (resid   5 and name HB#  ) (resid   9 and (name HG2# or name HG1#  )) 3.2  1.3  1.3
assign (resid   6 and name HA  ) (resid   6 and (name HB1 or name HB2  )) 3.2  1.3  1.3
assign (resid   6 and name HA  ) (resid   6 and (name HB2 or name HB1  )) 2.7  1.1  1.1
assign (resid   6 and name HA  ) (resid   6 and (name HD1 or name HD2  )) 2.7  1.1  1.1
assign (resid   6 and name HA  ) (resid   6 and name HN  )  2.6  1.1  1.1
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and (name HD1 or name HD2  )) 2.4  1.0  1.0
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and name HN  )  2.5  1.0  1.0
assign (resid   6 and (name HB2 or name HB1  )) (resid   6 and (name HD1 or name HD2  )) 2.2  0.9  0.9
assign (resid   6 and (name HB2 or name HB1  )) (resid   6 and name HN  )  2.3  0.9  0.9
assign (resid   6 and (name HD1 or name HD2  )) (resid   6 and name HN  )  3.1  1.3  1.3
assign (resid   6 and (name HE1 or name HE2  )) (resid   6 and name HZ  )  2.1  0.8  0.8
assign (resid   6 and (name HB2 or name HB1  )) (resid   7 and name HA  )  3.4  1.3  1.3
assign (resid   6 and (name HB2 or name HB1  )) (resid   7 and name HN  )  3.1  1.2  1.2
assign (resid   6 and (name HD1 or name HD2  )) (resid   7 and (name HB1 or name HB2  )) 2.9  1.2  1.2
assign (resid   6 and (name HD1 or name HD2  )) (resid   7 and (name HB2 or name HB1  )) 3.5  1.4  1.4
assign (resid   6 and (name HE1 or name HE2  )) (resid   7 and name HA  )  2.8  1.1  1.1
assign (resid   6 and (name HE1 or name HE2  )) (resid   7 and (name HB1 or name HB2  )) 3.4  1.4  1.4
assign (resid   6 and name HN  ) (resid   8 and name HN  )  4.3  1.7  1.7
assign (resid   6 and name HA  ) (resid   9 and (name HG1# or name HG2#  )) 2.7  1.1  1.1
assign (resid   6 and name HA  ) (resid   9 and (name HG2# or name HG1#  )) 3.9  1.6  1.6
assign (resid   6 and name HA  ) (resid   9 and name HN  )  3.3  1.3  1.3
assign (resid   6 and name HN  ) (resid   9 and name HB  )  3.7  1.5  1.5
assign (resid   6 and name HA  ) (resid  10 and (name HB1 or name HB2  )) 4.2  1.7  1.7
assign (resid   6 and name HA  ) (resid  10 and name HN  )  3.5  1.4  1.4
assign (resid   6 and (name HE1 or name HE2  )) (resid  10 and name HA  )  4.2  1.7  1.7
assign (resid   6 and (name HE1 or name HE2  )) (resid  12 and (name HG1 or name HG2  )) 3.7  1.5  1.5
!assign (resid   6 and (name HD1 or name HD2  )) (resid  13 and name HB  )  3.7  1.5  1.5
assign (resid   6 and (name HB2 or name HB1  )) (resid  14 and name HE  )  4.1  1.6  1.6
assign (resid   6 and (name HD1 or name HD2  )) (resid  14 and (name HB1 or name HB2  )) 3.9  1.6  1.6
assign (resid   6 and (name HD1 or name HD2  )) (resid  14 and (name HG1 or name HG2  )) 2.5  1.0  1.0
assign (resid   6 and (name HD1 or name HD2  )) (resid  14 and (name HG2 or name HG1  )) 3.5  1.4  1.4
assign (resid   6 and (name HD1 or name HD2  )) (resid  14 and name HN  )  3.2  1.3  1.3
assign (resid   6 and (name HE1 or name HE2  )) (resid  14 and (name HB1 or name HB2  )) 4.1  1.6  1.6
assign (resid   6 and (name HE1 or name HE2  )) (resid  14 and (name HG1 or name HG2  )) 2.4  1.0  1.0
assign (resid   6 and name HZ  ) (resid  14 and name HA  )  2.9  1.2  1.2
assign (resid   6 and name HZ  ) (resid  14 and (name HB2 or name HB1  )) 3.7  1.5  1.5
assign (resid   6 and name HZ  ) (resid  14 and (name HG2 or name HG1  )) 3.8  1.5  1.5
assign (resid   6 and (name HE1 or name HE2  )) (resid  17 and name HA  )  3.5  1.4  1.4
assign (resid   6 and (name HE1 or name HE2  )) (resid  17 and (name HB1 or name HB2  )) 3.5  1.4  1.4
assign (resid   6 and (name HE1 or name HE2  )) (resid  17 and (name HB2 or name HB1  )) 3.4  1.3  1.3
assign (resid   6 and name HZ  ) (resid  17 and (name HB2 or name HB1  )) 2.3  0.9  0.9
assign (resid   6 and name HZ  ) (resid  17 and (name HD1 or name HD2  )) 2.0  0.8  0.8
!assign (resid   6 and (name HB2 or name HB1  )) (resid  29 and (name HG1 or name HG2  )) 3.3  1.3  1.3
!assign (resid   6 and (name HE1 or name HE2  )) (resid  29 and (name HG1 or name HG2  )) 3.8  1.5  1.5
assign (resid   7 and name HA  ) (resid   7 and (name HB1 or name HB2  )) 3.0  1.2  1.2
assign (resid   7 and name HA  ) (resid   7 and (name HB2 or name HB1  )) 2.9  1.2  1.2
assign (resid   7 and name HA  ) (resid   7 and (name HG1 or name HG2  )) 2.6  1.0  1.0
assign (resid   7 and name HA  ) (resid   7 and (name HG2 or name HG1  )) 2.7  1.1  1.1
assign (resid   7 and name HA  ) (resid   7 and name HN  )  2.6  1.0  1.0
assign (resid   7 and (name HB1 or name HB2  )) (resid   7 and (name HD1 or name HD2  )) 3.0  1.2  1.2
assign (resid   7 and (name HB1 or name HB2  )) (resid   7 and (name HD2 or name HD1  )) 2.9  1.2  1.2
assign (resid   7 and (name HB1 or name HB2  )) (resid   7 and name HE  )  3.4  1.4  1.4
assign (resid   7 and (name HB1 or name HB2  )) (resid   7 and (name HG1 or name HG2  )) 2.1  0.8  0.8
assign (resid   7 and (name HB1 or name HB2  )) (resid   7 and (name HG2 or name HG1  )) 2.1  0.9  0.9
assign (resid   7 and (name HB1 or name HB2  )) (resid   7 and name HN  )  2.6  1.0  1.0
assign (resid   7 and (name HB2 or name HB1  )) (resid   7 and (name HD1 or name HD2  )) 3.3  1.3  1.3
assign (resid   7 and (name HB2 or name HB1  )) (resid   7 and name HE  )  3.6  1.4  1.4
assign (resid   7 and (name HB2 or name HB1  )) (resid   7 and (name HG1 or name HG2  )) 2.0  0.8  0.8
assign (resid   7 and (name HB2 or name HB1  )) (resid   7 and (name HG2 or name HG1  )) 2.7  1.1  1.1
assign (resid   7 and (name HB2 or name HB1  )) (resid   7 and name HN  )  2.4  1.0  1.0
assign (resid   7 and (name HD1 or name HD2  )) (resid   7 and name HE  )  2.6  1.0  1.0
assign (resid   7 and (name HD1 or name HD2  )) (resid   7 and (name HG1 or name HG2  )) 3.2  1.3  1.3
assign (resid   7 and (name HD1 or name HD2  )) (resid   7 and (name HG2 or name HG1  )) 3.0  1.2  1.2
assign (resid   7 and (name HD1 or name HD2  )) (resid   7 and name HN  )  4.2  1.7  1.7
assign (resid   7 and (name HD2 or name HD1  )) (resid   7 and name HE  )  2.7  1.1  1.1
assign (resid   7 and (name HD2 or name HD1  )) (resid   7 and (name HG1 or name HG2  )) 3.0  1.2  1.2
assign (resid   7 and (name HD2 or name HD1  )) (resid   7 and (name HG2 or name HG1  )) 3.0  1.2  1.2
assign (resid   7 and (name HD2 or name HD1  )) (resid   7 and name HN  )  4.1  1.7  1.7
assign (resid   7 and name HE  ) (resid   7 and (name HG1 or name HG2  )) 3.1  1.3  1.3
assign (resid   7 and name HE  ) (resid   7 and (name HG2 or name HG1  )) 3.3  1.3  1.3
assign (resid   7 and (name HG1 or name HG2  )) (resid   7 and name HN  )  2.8  1.1  1.1
assign (resid   7 and (name HG2 or name HG1  )) (resid   7 and name HN  )  2.8  1.1  1.1
assign (resid   7 and (name HG1 or name HG2  )) (resid   8 and name HA  )  3.1  1.2  1.2
assign (resid   7 and name HA  ) (resid   9 and name HN  )  3.0  1.2  1.2
!assign (resid   7 and (name HD1 or name HD2  )) (resid  11 and (name HA1 or name HA2  )) 3.6  1.4  1.4
assign (resid   7 and (name HG1 or name HG2  )) (resid  11 and name HN  )  3.6  1.4  1.4
assign (resid   7 and (name HG2 or name HG1  )) (resid  11 and name HN  )  4.1  1.6  1.6
assign (resid   8 and name HA  ) (resid   8 and name HB#  )  2.1  0.9  0.9
assign (resid   8 and name HA  ) (resid   8 and name HN  )  2.6  1.0  1.0
assign (resid   8 and name HB#  ) (resid   8 and name HN  )  2.1  0.8  0.8
assign (resid   8 and name HA  ) (resid   9 and name HN  )  2.5  1.0  1.0
assign (resid   8 and name HB#  ) (resid   9 and name HA  )  3.5  1.4  1.4
assign (resid   8 and name HB#  ) (resid   9 and (name HG2# or name HG1#  )) 3.4  1.4  1.4
assign (resid   8 and name HB#  ) (resid   9 and name HN  )  2.4  1.0  1.0
assign (resid   8 and name HN  ) (resid   9 and name HN  )  2.5  1.0  1.0
assign (resid   8 and name HB#  ) (resid  10 and name HN  )  4.1  1.6  1.6
assign (resid   8 and name HN  ) (resid  10 and name HN  )  4.0  1.6  1.6
assign (resid   8 and name HA  ) (resid  11 and name HN  )  3.0  1.2  1.2
assign (resid   9 and name HA  ) (resid   9 and name HB  )  3.1  1.2  1.2
assign (resid   9 and name HA  ) (resid   9 and (name HG1# or name HG2#  )) 2.2  0.9  0.9
assign (resid   9 and name HA  ) (resid   9 and (name HG2# or name HG1#  )) 2.4  1.0  1.0
assign (resid   9 and name HA  ) (resid   9 and name HN  )  2.6  1.1  1.1
assign (resid   9 and name HB  ) (resid   9 and (name HG1# or name HG2#  )) 2.2  0.9  0.9
assign (resid   9 and name HB  ) (resid   9 and (name HG2# or name HG1#  )) 2.3  0.9  0.9
assign (resid   9 and name HB  ) (resid   9 and name HN  )  2.3  0.9  0.9
!assign (resid   9 and (name HG1# or name HG2#  )) (resid   9 and name HN  )  2.3  0.9  0.9
assign (resid   9 and (name HG2# or name HG1#  )) (resid   9 and name HN  )  3.0  1.2  1.2
assign (resid   9 and name HA  ) (resid  10 and name HN  )  3.1  1.2  1.2
assign (resid   9 and name HB  ) (resid  10 and name HN  )  2.6  1.0  1.0
assign (resid   9 and (name HG1# or name HG2#  )) (resid  10 and name HA  )  2.6  1.0  1.0
assign (resid   9 and (name HG1# or name HG2#  )) (resid  10 and name HN  )  3.3  1.3  1.3
!assign (resid   9 and (name HG2# or name HG1#  )) (resid  10 and name HA  )  3.5  1.4  1.4
assign (resid   9 and (name HG2# or name HG1#  )) (resid  10 and name HN  )  3.1  1.2  1.2
assign (resid   9 and name HN  ) (resid  10 and name HN  )  2.5  1.0  1.0
assign (resid   9 and name HA  ) (resid  11 and name HN  )  3.6  1.5  1.5
assign (resid   9 and (name HG2# or name HG1#  )) (resid  11 and name HN  )  4.4  1.8  1.8
assign (resid   9 and name HN  ) (resid  11 and name HN  )  3.4  1.4  1.4
assign (resid   9 and (name HG1# or name HG2#  )) (resid  32 and (name HB1 or name HB2  )) 2.6  1.0  1.0
assign (resid   9 and (name HG1# or name HG2#  )) (resid  32 and (name HD2 or name HD1  )) 2.8  1.1  1.1
assign (resid   9 and (name HG1# or name HG2#  )) (resid  32 and name HE  )  3.8  1.5  1.5
assign (resid   9 and (name HG1# or name HG2#  )) (resid  32 and (name HG1 or name HG2  )) 2.6  1.0  1.0
!assign (resid   9 and (name HG2# or name HG1#  )) (resid  32 and (name HB1 or name HB2  )) 3.9  1.6  1.6
assign (resid   9 and (name HG2# or name HG1#  )) (resid  32 and (name HD1 or name HD2  )) 4.1  1.6  1.6
assign (resid   9 and (name HG2# or name HG1#  )) (resid  32 and (name HG1 or name HG2  )) 4.0  1.6  1.6
assign (resid  10 and name HA  ) (resid  10 and (name HB1 or name HB2  )) 2.7  1.1  1.1
assign (resid  10 and name HA  ) (resid  10 and (name HB2 or name HB1  )) 3.0  1.2  1.2
assign (resid  10 and name HA  ) (resid  10 and name HN  )  2.9  1.1  1.1
assign (resid  10 and (name HB1 or name HB2  )) (resid  10 and name HN  )  2.9  1.2  1.2
assign (resid  10 and (name HB2 or name HB1  )) (resid  10 and name HN  )  2.5  1.0  1.0
assign (resid  10 and name HA  ) (resid  11 and name HN  )  3.2  1.3  1.3
assign (resid  10 and (name HB2 or name HB1  )) (resid  11 and name HN  )  3.6  1.4  1.4
assign (resid  10 and name HN  ) (resid  11 and name HN  )  2.4  1.0  1.0
assign (resid  10 and (name HB1 or name HB2  )) (resid  12 and name HN  )  3.5  1.4  1.4
!assign (resid  10 and (name HB2 or name HB1  )) (resid  12 and (name HB1 or name HB2  )) 3.5  1.4  1.4
assign (resid  10 and (name HB2 or name HB1  )) (resid  12 and name HE#  )  2.9  1.1  1.1
assign (resid  10 and (name HB2 or name HB1  )) (resid  12 and name HN  )  3.3  1.3  1.3
assign (resid  10 and name HN  ) (resid  12 and name HN  )  3.8  1.5  1.5
assign (resid  10 and (name HB1 or name HB2  )) (resid  17 and (name HD1 or name HD2  )) 3.3  1.3  1.3
assign (resid  10 and (name HB2 or name HB1  )) (resid  17 and (name HD1 or name HD2  )) 3.4  1.4  1.4
assign (resid  10 and name HA  ) (resid  32 and (name HD1 or name HD2  )) 3.7  1.5  1.5
assign (resid  11 and (name HA1 or name HA2  )) (resid  11 and name HN  )  2.5  1.0  1.0
assign (resid  11 and (name HA2 or name HA1  )) (resid  11 and name HN  )  2.3  0.9  0.9
assign (resid  11 and (name HA1 or name HA2  )) (resid  12 and name HN  )  3.2  1.3  1.3
assign (resid  11 and (name HA2 or name HA1  )) (resid  12 and name HN  )  2.9  1.2  1.2
assign (resid  11 and name HN  ) (resid  12 and name HN  )  2.4  1.0  1.0
assign (resid  12 and name HA  ) (resid  12 and (name HG2 or name HG1  )) 3.6  1.4  1.4
assign (resid  12 and (name HB1 or name HB2  )) (resid  12 and (name HG1 or name HG2  )) 2.1  0.8  0.8
assign (resid  12 and (name HB1 or name HB2  )) (resid  12 and name HN  )  2.7  1.1  1.1
assign (resid  12 and (name HB2 or name HB1  )) (resid  12 and (name HG1 or name HG2  )) 2.8  1.1  1.1
assign (resid  12 and (name HB2 or name HB1  )) (resid  12 and (name HG2 or name HG1  )) 2.0  0.8  0.8
assign (resid  12 and (name HG1 or name HG2  )) (resid  12 and name HN  )  3.4  1.4  1.4
assign (resid  12 and (name HG2 or name HG1  )) (resid  12 and name HN  )  3.4  1.4  1.4
assign (resid  12 and name HA  ) (resid  13 and name HN  )  3.3  1.3  1.3
assign (resid  12 and (name HB1 or name HB2  )) (resid  13 and name HN  )  3.8  1.5  1.5
assign (resid  12 and (name HB2 or name HB1  )) (resid  13 and name HN  )  2.4  1.0  1.0
assign (resid  12 and (name HG1 or name HG2  )) (resid  13 and name HN  )  3.5  1.4  1.4
assign (resid  12 and (name HG2 or name HG1  )) (resid  13 and name HN  )  3.0  1.2  1.2
assign (resid  12 and (name HB1 or name HB2  )) (resid  16 and name HB#  )  3.5  1.4  1.4
assign (resid  12 and (name HB2 or name HB1  )) (resid  16 and name HB#  )  2.5  1.0  1.0
assign (resid  12 and (name HG1 or name HG2  )) (resid  16 and name HB#  )  3.1  1.2  1.2
assign (resid  12 and (name HB1 or name HB2  )) (resid  17 and (name HD1 or name HD2  )) 3.7  1.5  1.5
assign (resid  12 and (name HG1 or name HG2  )) (resid  17 and name HA  )  3.9  1.5  1.5
assign (resid  12 and (name HG1 or name HG2  )) (resid  17 and (name HD1 or name HD2  )) 3.2  1.3  1.3
assign (resid  12 and (name HG1 or name HG2  )) (resid  17 and name HN  )  3.0  1.2  1.2
assign (resid  12 and name HE#  ) (resid  20 and (name HD1# or name HD2#  )) 3.1  1.3  1.3
assign (resid  13 and name HA  ) (resid  13 and name HG2#  )  2.1  0.9  0.9
assign (resid  13 and name HA  ) (resid  13 and name HN  )  3.5  1.4  1.4
assign (resid  13 and name HB  ) (resid  13 and name HG2#  )  2.2  0.9  0.9
assign (resid  13 and name HB  ) (resid  13 and name HN  )  2.6  1.0  1.0
!assign (resid  13 and name HG2#  ) (resid  13 and name HN  )  2.2  0.9  0.9
assign (resid  13 and name HA  ) (resid  14 and name HN  )  2.3  0.9  0.9
assign (resid  13 and name HB  ) (resid  14 and name HN  )  2.1  0.8  0.8
!assign (resid  13 and name HG2#  ) (resid  14 and name HA  )  3.1  1.3  1.3
assign (resid  13 and name HN  ) (resid  14 and name HN  )  3.9  1.5  1.5
assign (resid  13 and name HA  ) (resid  15 and name HN  )  2.6  1.0  1.0
assign (resid  13 and name HB  ) (resid  15 and name HN  )  3.3  1.3  1.3
assign (resid  13 and name HA  ) (resid  16 and name HN  )  3.5  1.4  1.4
assign (resid  13 and name HB  ) (resid  16 and name HN  )  4.1  1.6  1.6
assign (resid  13 and name HN  ) (resid  16 and name HB#  )  2.4  1.0  1.0
assign (resid  13 and name HN  ) (resid  16 and name HN  )  3.6  1.4  1.4
!assign (resid  13 and name HB  ) (resid  17 and (name HD1 or name HD2  )) 4.1  1.6  1.6
assign (resid  14 and name HA  ) (resid  14 and (name HB1 or name HB2  )) 2.8  1.1  1.1
assign (resid  14 and name HA  ) (resid  14 and (name HB2 or name HB1  )) 2.9  1.1  1.1
assign (resid  14 and name HA  ) (resid  14 and (name HG1 or name HG2  )) 3.3  1.3  1.3
assign (resid  14 and name HA  ) (resid  14 and (name HG2 or name HG1  )) 3.4  1.4  1.4
assign (resid  14 and name HA  ) (resid  14 and name HN  )  2.7  1.1  1.1
assign (resid  14 and (name HB1 or name HB2  )) (resid  14 and (name HD1 or name HD2  )) 3.7  1.5  1.5
assign (resid  14 and (name HB1 or name HB2  )) (resid  14 and (name HG1 or name HG2  )) 2.9  1.1  1.1
assign (resid  14 and (name HB1 or name HB2  )) (resid  14 and name HN  )  2.7  1.1  1.1
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and (name HD1 or name HD2  )) 3.9  1.5  1.5
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and name HE  )  3.6  1.4  1.4
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and (name HG1 or name HG2  )) 2.6  1.0  1.0
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and (name HG2 or name HG1  )) 3.0  1.2  1.2
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and name HN  )  2.5  1.0  1.0
assign (resid  14 and (name HD1 or name HD2  )) (resid  14 and name HE  )  2.6  1.0  1.0
assign (resid  14 and (name HD1 or name HD2  )) (resid  14 and (name HG1 or name HG2  )) 2.7  1.1  1.1
assign (resid  14 and (name HD1 or name HD2  )) (resid  14 and name HN  )  2.9  1.2  1.2
assign (resid  14 and (name HD2 or name HD1  )) (resid  14 and (name HG1 or name HG2  )) 3.0  1.2  1.2
assign (resid  14 and (name HD2 or name HD1  )) (resid  14 and (name HG2 or name HG1  )) 3.1  1.3  1.3
assign (resid  14 and name HE  ) (resid  14 and (name HG2 or name HG1  )) 3.4  1.4  1.4
!assign (resid  14 and (name HG1 or name HG2  )) (resid  14 and name HN  )  3.1  1.2  1.2
assign (resid  14 and (name HG2 or name HG1  )) (resid  14 and name HN  )  3.8  1.5  1.5
assign (resid  14 and (name HB1 or name HB2  )) (resid  15 and (name HB1 or name HB2  )) 3.9  1.6  1.6
assign (resid  14 and (name HB1 or name HB2  )) (resid  15 and name HN  )  2.7  1.1  1.1
assign (resid  14 and (name HB2 or name HB1  )) (resid  15 and (name HB2 or name HB1  )) 3.8  1.5  1.5
assign (resid  14 and (name HB2 or name HB1  )) (resid  15 and name HN  )  3.0  1.2  1.2
assign (resid  14 and (name HG2 or name HG1  )) (resid  15 and name HN  )  4.3  1.7  1.7
assign (resid  14 and name HN  ) (resid  15 and name HN  )  2.5  1.0  1.0
!assign (resid  14 and name HE  ) (resid  16 and name HN  )  2.5  1.0  1.0
assign (resid  14 and name HN  ) (resid  16 and name HB#  )  4.2  1.7  1.7
assign (resid  14 and name HN  ) (resid  16 and name HN  )  4.1  1.7  1.7
assign (resid  14 and name HA  ) (resid  17 and (name HD1 or name HD2  )) 2.9  1.2  1.2
assign (resid  14 and name HA  ) (resid  17 and name HN  )  2.8  1.1  1.1
assign (resid  14 and (name HB2 or name HB1  )) (resid  17 and (name HB1 or name HB2  )) 3.4  1.4  1.4
assign (resid  14 and (name HG1 or name HG2  )) (resid  17 and (name HD1 or name HD2  )) 3.4  1.3  1.3
!assign (resid  14 and name HN  ) (resid  17 and (name HD1 or name HD2  )) 4.5  1.8  1.8
assign (resid  14 and name HA  ) (resid  18 and name HN  )  3.6  1.4  1.4
assign (resid  15 and name HA  ) (resid  15 and (name HB1 or name HB2  )) 2.7  1.1  1.1
assign (resid  15 and name HA  ) (resid  15 and (name HB2 or name HB1  )) 2.6  1.0  1.0
assign (resid  15 and (name HB1 or name HB2  )) (resid  15 and name HN  )  2.5  1.0  1.0
assign (resid  15 and (name HB2 or name HB1  )) (resid  15 and name HN  )  2.6  1.0  1.0
assign (resid  15 and (name HB1 or name HB2  )) (resid  16 and name HN  )  3.1  1.2  1.2
assign (resid  15 and (name HB2 or name HB1  )) (resid  16 and name HN  )  3.1  1.2  1.2
assign (resid  15 and name HN  ) (resid  16 and name HN  )  2.2  0.9  0.9
assign (resid  15 and name HA  ) (resid  18 and name HB#  )  2.4  1.0  1.0
assign (resid  15 and name HA  ) (resid  18 and name HN  )  2.9  1.2  1.2
assign (resid  16 and name HA  ) (resid  16 and name HB#  )  2.2  0.9  0.9
assign (resid  16 and name HA  ) (resid  16 and name HN  )  2.5  1.0  1.0
assign (resid  16 and name HB#  ) (resid  16 and name HN  )  2.5  1.0  1.0
assign (resid  16 and name HA  ) (resid  17 and name HN  )  2.3  0.9  0.9
assign (resid  16 and name HB#  ) (resid  17 and name HN  )  2.3  0.9  0.9
assign (resid  16 and name HN  ) (resid  17 and (name HD1 or name HD2  )) 4.4  1.8  1.8
assign (resid  16 and name HN  ) (resid  18 and name HN  )  3.7  1.5  1.5
assign (resid  16 and name HA  ) (resid  19 and (name HB1 or name HB2  )) 3.6  1.4  1.4
assign (resid  16 and name HA  ) (resid  19 and (name HB2 or name HB1  )) 3.2  1.3  1.3
assign (resid  16 and name HA  ) (resid  19 and name HN  )  3.1  1.2  1.2
!assign (resid  16 and name HB#  ) (resid  20 and name HN  )  3.7  1.5  1.5
assign (resid  17 and name HA  ) (resid  17 and (name HB1 or name HB2  )) 2.8  1.1  1.1
assign (resid  17 and name HA  ) (resid  17 and (name HB2 or name HB1  )) 2.6  1.0  1.0
assign (resid  17 and name HA  ) (resid  17 and (name HD1 or name HD2  )) 4.4  1.8  1.8
assign (resid  17 and name HA  ) (resid  17 and name HN  )  2.4  0.9  0.9
assign (resid  17 and (name HB1 or name HB2  )) (resid  17 and (name HD1 or name HD2  )) 3.2  1.3  1.3
assign (resid  17 and (name HB1 or name HB2  )) (resid  17 and (name HE1 or name HE2  )) 3.8  1.5  1.5
assign (resid  17 and (name HB1 or name HB2  )) (resid  17 and name HN  )  2.3  0.9  0.9
assign (resid  17 and (name HB2 or name HB1  )) (resid  17 and (name HD1 or name HD2  )) 2.7  1.1  1.1
assign (resid  17 and (name HB2 or name HB1  )) (resid  17 and (name HE1 or name HE2  )) 3.6  1.5  1.5
assign (resid  17 and (name HB2 or name HB1  )) (resid  17 and name HN  )  2.3  0.9  0.9
assign (resid  17 and (name HD1 or name HD2  )) (resid  17 and (name HE1 or name HE2  )) 2.5  1.0  1.0
assign (resid  17 and (name HD1 or name HD2  )) (resid  17 and name HN  )  3.7  1.5  1.5
assign (resid  17 and (name HE1 or name HE2  )) (resid  17 and name HZ  )  3.0  1.2  1.2
assign (resid  17 and name HA  ) (resid  18 and name HN  )  3.3  1.3  1.3
assign (resid  17 and (name HB1 or name HB2  )) (resid  18 and name HN  )  2.6  1.0  1.0
assign (resid  17 and (name HB2 or name HB1  )) (resid  18 and name HN  )  3.0  1.2  1.2
assign (resid  17 and name HN  ) (resid  18 and name HN  )  2.4  1.0  1.0
assign (resid  17 and name HA  ) (resid  19 and name HN  )  2.5  1.0  1.0
assign (resid  17 and name HA  ) (resid  20 and (name HD1# or name HD2#  )) 3.7  1.5  1.5
assign (resid  17 and name HA  ) (resid  20 and (name HD2# or name HD1#  )) 3.0  1.2  1.2
assign (resid  17 and name HA  ) (resid  20 and name HN  )  3.4  1.4  1.4
assign (resid  17 and (name HD1 or name HD2  )) (resid  20 and (name HD1# or name HD2#  )) 4.5  1.8  1.8
!assign (resid  17 and (name HB2 or name HB1  )) (resid  25 and (name HB1 or name HB2  )) 3.2  1.3  1.3
assign (resid  17 and (name HD1 or name HD2  )) (resid  25 and (name HB2 or name HB1  )) 4.2  1.7  1.7
assign (resid  17 and name HZ  ) (resid  25 and name HA  )  3.6  1.4  1.4
assign (resid  17 and name HZ  ) (resid  25 and (name HB1 or name HB2  )) 3.6  1.4  1.4
assign (resid  17 and name HZ  ) (resid  25 and (name HB2 or name HB1  )) 2.8  1.1  1.1
!assign (resid  17 and name HZ  ) (resid  25 and (name HG1 or name HG2  )) 2.8  1.1  1.1
assign (resid  17 and name HZ  ) (resid  28 and (name HB1 or name HB2  )) 2.6  1.0  1.0
assign (resid  17 and name HZ  ) (resid  28 and (name HB2 or name HB1  )) 3.5  1.4  1.4
assign (resid  17 and name HZ  ) (resid  28 and (name HD1# or name HD2#  )) 2.6  1.0  1.0
assign (resid  17 and name HZ  ) (resid  28 and name HG  )  3.0  1.2  1.2
assign (resid  17 and name HZ  ) (resid  28 and name HN  )  4.0  1.6  1.6
assign (resid  17 and (name HD1 or name HD2  )) (resid  29 and (name HD1 or name HD2  )) 4.5  1.8  1.8
assign (resid  17 and name HZ  ) (resid  29 and (name HB1 or name HB2  )) 3.8  1.5  1.5
assign (resid  17 and name HZ  ) (resid  29 and (name HD1 or name HD2  )) 4.1  1.6  1.6
assign (resid  17 and name HZ  ) (resid  29 and (name HG1 or name HG2  )) 2.7  1.1  1.1
assign (resid  17 and name HZ  ) (resid  29 and (name HG2 or name HG1  )) 3.5  1.4  1.4
assign (resid  17 and name HZ  ) (resid  29 and name HN  )  2.9  1.2  1.2
assign (resid  18 and name HA  ) (resid  18 and name HB#  )  2.2  0.9  0.9
assign (resid  18 and name HA  ) (resid  18 and name HN  )  2.6  1.0  1.0
assign (resid  18 and name HB#  ) (resid  18 and name HN  )  2.1  0.9  0.9
assign (resid  18 and name HB#  ) (resid  19 and name HN  )  2.6  1.0  1.0
assign (resid  18 and name HN  ) (resid  19 and (name HB2 or name HB1  )) 4.3  1.7  1.7
assign (resid  18 and name HN  ) (resid  19 and name HN  )  2.4  1.0  1.0
assign (resid  18 and name HA  ) (resid  20 and name HN  )  3.8  1.5  1.5
assign (resid  18 and name HB#  ) (resid  20 and name HN  )  3.9  1.6  1.6
assign (resid  18 and name HN  ) (resid  20 and name HN  )  3.8  1.5  1.5
assign (resid  19 and name HA  ) (resid  19 and (name HB1 or name HB2  )) 2.7  1.1  1.1
assign (resid  19 and name HA  ) (resid  19 and (name HB2 or name HB1  )) 3.0  1.2  1.2
assign (resid  19 and name HA  ) (resid  19 and name HN  )  2.7  1.1  1.1
assign (resid  19 and (name HB1 or name HB2  )) (resid  19 and name HN  )  2.8  1.1  1.1
assign (resid  19 and (name HB2 or name HB1  )) (resid  19 and name HN  )  2.3  0.9  0.9
assign (resid  19 and name HA  ) (resid  20 and name HN  )  3.1  1.2  1.2
assign (resid  19 and (name HB1 or name HB2  )) (resid  20 and name HN  )  3.8  1.5  1.5
assign (resid  19 and (name HB2 or name HB1  )) (resid  20 and name HN  )  3.5  1.4  1.4
assign (resid  19 and name HN  ) (resid  20 and (name HB1 or name HB2  )) 3.3  1.3  1.3
assign (resid  19 and name HN  ) (resid  20 and name HG  )  2.9  1.2  1.2
assign (resid  19 and name HN  ) (resid  20 and name HN  )  2.4  1.0  1.0
assign (resid  20 and name HA  ) (resid  20 and (name HD1# or name HD2#  )) 3.4  1.3  1.3
assign (resid  20 and name HA  ) (resid  20 and (name HD2# or name HD1#  )) 3.4  1.3  1.3
assign (resid  20 and name HA  ) (resid  20 and name HG  )  2.7  1.1  1.1
assign (resid  20 and name HA  ) (resid  20 and name HN  )  2.7  1.1  1.1
assign (resid  20 and (name HB1 or name HB2  )) (resid  20 and (name HD1# or name HD2#  )) 2.8  1.1  1.1
assign (resid  20 and (name HB1 or name HB2  )) (resid  20 and (name HD2# or name HD1#  )) 2.5  1.0  1.0
assign (resid  20 and (name HB1 or name HB2  )) (resid  20 and name HG  )  2.0  0.8  0.8
assign (resid  20 and (name HB1 or name HB2  )) (resid  20 and name HN  )  2.4  0.9  0.9
assign (resid  20 and (name HD1# or name HD2#  )) (resid  20 and name HN  )  3.1  1.2  1.2
assign (resid  20 and (name HD2# or name HD1#  )) (resid  20 and name HG  )  2.3  0.9  0.9
assign (resid  20 and (name HD2# or name HD1#  )) (resid  20 and name HN  )  3.0  1.2  1.2
assign (resid  20 and name HG  ) (resid  20 and name HN  )  2.8  1.1  1.1
assign (resid  20 and name HA  ) (resid  21 and (name HD1 or name HD2  )) 2.4  1.0  1.0
assign (resid  20 and name HA  ) (resid  21 and (name HD2 or name HD1  )) 2.5  1.0  1.0
assign (resid  20 and (name HB1 or name HB2  )) (resid  21 and (name HD1 or name HD2  )) 2.6  1.0  1.0
assign (resid  20 and (name HD1# or name HD2#  )) (resid  21 and (name HD1 or name HD2  )) 2.8  1.1  1.1
assign (resid  20 and (name HD1# or name HD2#  )) (resid  21 and (name HD2 or name HD1  )) 2.7  1.1  1.1
assign (resid  20 and (name HD2# or name HD1#  )) (resid  21 and (name HD2 or name HD1  )) 3.3  1.3  1.3
assign (resid  20 and name HG  ) (resid  21 and (name HD1 or name HD2  )) 3.4  1.4  1.4
assign (resid  20 and name HN  ) (resid  21 and (name HD1 or name HD2  )) 4.0  1.6  1.6
assign (resid  20 and (name HB1 or name HB2  )) (resid  24 and (name HB1 or name HB2  )) 2.8  1.1  1.1
assign (resid  20 and (name HB1 or name HB2  )) (resid  24 and (name HG2 or name HG1  )) 2.5  1.0  1.0
assign (resid  20 and (name HB1 or name HB2  )) (resid  24 and name HN  )  3.6  1.5  1.5
assign (resid  20 and (name HD1# or name HD2#  )) (resid  24 and (name HD1 or name HD2  )) 3.7  1.5  1.5
assign (resid  20 and (name HD1# or name HD2#  )) (resid  24 and (name HD2 or name HD1  )) 3.1  1.2  1.2
assign (resid  20 and (name HD2# or name HD1#  )) (resid  24 and (name HD2 or name HD1  )) 3.7  1.5  1.5
!assign (resid  20 and name HG  ) (resid  25 and (name HG1 or name HG2  )) 3.0  1.2  1.2
assign (resid  20 and name HN  ) (resid  25 and (name HB2 or name HB1  )) 4.0  1.6  1.6
assign (resid  21 and name HA  ) (resid  21 and (name HB1 or name HB2  )) 2.4  0.9  0.9
assign (resid  21 and name HA  ) (resid  21 and (name HB2 or name HB1  )) 3.1  1.2  1.2
assign (resid  21 and (name HB1 or name HB2  )) (resid  21 and (name HD1 or name HD2  )) 3.6  1.4  1.4
assign (resid  21 and (name HB1 or name HB2  )) (resid  21 and (name HG2 or name HG1  )) 3.3  1.3  1.3
assign (resid  21 and (name HB2 or name HB1  )) (resid  21 and (name HG1 or name HG2  )) 3.2  1.3  1.3
assign (resid  21 and (name HB2 or name HB1  )) (resid  21 and (name HG2 or name HG1  )) 2.9  1.2  1.2
assign (resid  21 and name HA  ) (resid  22 and name HA  )  3.3  1.3  1.3
assign (resid  21 and name HA  ) (resid  22 and name HN  )  2.1  0.8  0.8
assign (resid  21 and (name HB1 or name HB2  )) (resid  22 and name HN  )  3.1  1.3  1.3
assign (resid  21 and (name HB2 or name HB1  )) (resid  22 and name HN  )  3.3  1.3  1.3
assign (resid  21 and (name HG1 or name HG2  )) (resid  22 and name HN  )  4.3  1.7  1.7
assign (resid  21 and (name HG2 or name HG1  )) (resid  22 and name HN  )  3.0  1.2  1.2
assign (resid  21 and name HA  ) (resid  23 and name HD1  )  4.0  1.6  1.6
assign (resid  21 and name HA  ) (resid  23 and name HE1  )  4.6  1.9  1.9
assign (resid  21 and name HA  ) (resid  23 and name HN  )  3.8  1.5  1.5
assign (resid  21 and (name HB1 or name HB2  )) (resid  23 and name HD1  )  2.9  1.2  1.2
assign (resid  21 and (name HB1 or name HB2  )) (resid  23 and name HE1  )  3.1  1.3  1.3
assign (resid  21 and (name HB1 or name HB2  )) (resid  23 and name HH2  )  3.6  1.4  1.4
assign (resid  21 and (name HB1 or name HB2  )) (resid  23 and name HN  )  3.7  1.5  1.5
assign (resid  21 and (name HB1 or name HB2  )) (resid  23 and name HZ2  )  3.1  1.3  1.3
assign (resid  21 and (name HB2 or name HB1  )) (resid  23 and name HD1  )  2.8  1.1  1.1
assign (resid  21 and (name HB2 or name HB1  )) (resid  23 and name HE1  )  3.1  1.3  1.3
assign (resid  21 and (name HB2 or name HB1  )) (resid  23 and name HN  )  3.2  1.3  1.3
assign (resid  21 and (name HG1 or name HG2  )) (resid  23 and name HD1  )  4.1  1.6  1.6
assign (resid  21 and (name HG1 or name HG2  )) (resid  23 and name HE1  )  3.5  1.4  1.4
assign (resid  21 and (name HG2 or name HG1  )) (resid  23 and name HE1  )  3.4  1.4  1.4
assign (resid  21 and (name HG2 or name HG1  )) (resid  23 and name HZ2  )  3.8  1.5  1.5
assign (resid  21 and (name HB1 or name HB2  )) (resid  24 and (name HD1 or name HD2  )) 3.1  1.2  1.2
assign (resid  21 and (name HB1 or name HB2  )) (resid  24 and (name HD2 or name HD1  )) 2.8  1.1  1.1
assign (resid  21 and (name HB1 or name HB2  )) (resid  24 and name HN  )  4.2  1.7  1.7
assign (resid  21 and (name HB2 or name HB1  )) (resid  24 and (name HD2 or name HD1  )) 3.8  1.5  1.5
assign (resid  21 and (name HB2 or name HB1  )) (resid  24 and name HN  )  3.2  1.3  1.3
assign (resid  21 and (name HD1 or name HD2  )) (resid  24 and (name HG1 or name HG2  )) 2.9  1.2  1.2
assign (resid  21 and (name HD1 or name HD2  )) (resid  24 and name HN  )  4.4  1.7  1.7
assign (resid  21 and (name HD2 or name HD1  )) (resid  24 and (name HB1 or name HB2  )) 2.8  1.1  1.1
assign (resid  21 and (name HD2 or name HD1  )) (resid  24 and (name HG1 or name HG2  )) 2.6  1.0  1.0
assign (resid  21 and (name HD2 or name HD1  )) (resid  24 and (name HG2 or name HG1  )) 3.3  1.3  1.3
assign (resid  21 and (name HB2 or name HB1  )) (resid  25 and name HN  )  4.5  1.8  1.8
assign (resid  22 and name HA  ) (resid  22 and (name HB1 or name HB2  )) 2.6  1.0  1.0
assign (resid  22 and name HA  ) (resid  22 and (name HD1# or name HD2#  )) 2.7  1.1  1.1
assign (resid  22 and name HA  ) (resid  22 and name HN  )  2.6  1.0  1.0
assign (resid  22 and (name HB1 or name HB2  )) (resid  22 and name HN  )  2.3  0.9  0.9
assign (resid  22 and (name HD1# or name HD2#  )) (resid  22 and name HN  )  3.6  1.4  1.4
assign (resid  22 and (name HD2# or name HD1#  )) (resid  22 and name HN  )  3.6  1.4  1.4
assign (resid  22 and name HA  ) (resid  23 and name HN  )  3.2  1.3  1.3
assign (resid  22 and (name HB1 or name HB2  )) (resid  23 and name HN  )  2.7  1.1  1.1
assign (resid  22 and (name HD2# or name HD1#  )) (resid  23 and name HN  )  3.8  1.5  1.5
assign (resid  22 and name HN  ) (resid  23 and name HD1  )  4.0  1.6  1.6
assign (resid  22 and name HN  ) (resid  23 and name HN  )  2.7  1.1  1.1
assign (resid  22 and name HA  ) (resid  25 and (name HB1 or name HB2  )) 3.3  1.3  1.3
assign (resid  22 and name HA  ) (resid  25 and (name HG1 or name HG2  )) 2.4  1.0  1.0
assign (resid  22 and name HA  ) (resid  25 and name HN  )  3.0  1.2  1.2
assign (resid  22 and name HA  ) (resid  26 and name HN  )  3.6  1.4  1.4
assign (resid  22 and (name HD1# or name HD2#  )) (resid  26 and (name HG1 or name HG2  )) 3.4  1.4  1.4
assign (resid  22 and (name HD1# or name HD2#  )) (resid  26 and name HN  )  3.8  1.5  1.5
assign (resid  23 and name HA  ) (resid  23 and (name HB1 or name HB2  )) 2.5  1.0  1.0
assign (resid  23 and name HA  ) (resid  23 and (name HB2 or name HB1  )) 2.3  0.9  0.9
assign (resid  23 and name HA  ) (resid  23 and name HD1  )  3.4  1.4  1.4
assign (resid  23 and name HA  ) (resid  23 and name HE3  )  3.4  1.4  1.4
assign (resid  23 and name HA  ) (resid  23 and name HN  )  2.4  1.0  1.0
assign (resid  23 and (name HB1 or name HB2  )) (resid  23 and name HD1  )  3.1  1.2  1.2
assign (resid  23 and (name HB1 or name HB2  )) (resid  23 and name HE3  )  2.6  1.0  1.0
assign (resid  23 and (name HB1 or name HB2  )) (resid  23 and name HN  )  2.9  1.1  1.1
assign (resid  23 and (name HB2 or name HB1  )) (resid  23 and name HD1  )  2.5  1.0  1.0
assign (resid  23 and (name HB2 or name HB1  )) (resid  23 and name HE1  )  4.3  1.7  1.7
assign (resid  23 and (name HB2 or name HB1  )) (resid  23 and name HE3  )  3.1  1.2  1.2
assign (resid  23 and (name HB2 or name HB1  )) (resid  23 and name HN  )  2.4  1.0  1.0
assign (resid  23 and name HD1  ) (resid  23 and name HE1  )  2.2  0.9  0.9
assign (resid  23 and name HD1  ) (resid  23 and name HN  )  2.3  0.9  0.9
assign (resid  23 and name HE1  ) (resid  23 and name HH2  )  4.2  1.7  1.7
assign (resid  23 and name HE1  ) (resid  23 and name HN  )  4.1  1.6  1.6
assign (resid  23 and name HE1  ) (resid  23 and name HZ2  )  2.6  1.0  1.0
assign (resid  23 and name HE1  ) (resid  23 and name HZ3  )  4.7  1.9  1.9
assign (resid  23 and name HE3  ) (resid  23 and name HZ3  )  2.2  0.9  0.9
assign (resid  23 and name HH2  ) (resid  23 and name HZ2  )  2.4  1.0  1.0
assign (resid  23 and name HH2  ) (resid  23 and name HZ3  )  2.0  0.8  0.8
assign (resid  23 and name HA  ) (resid  24 and name HN  )  3.6  1.5  1.5
assign (resid  23 and name HE1  ) (resid  24 and (name HG1 or name HG2  )) 4.7  1.9  1.9
assign (resid  23 and name HE3  ) (resid  24 and name HA  )  2.8  1.1  1.1
assign (resid  23 and name HE3  ) (resid  24 and (name HB1 or name HB2  )) 3.6  1.4  1.4
assign (resid  23 and name HH2  ) (resid  24 and name HA  )  4.2  1.7  1.7
assign (resid  23 and name HH2  ) (resid  24 and (name HG2 or name HG1  )) 2.5  1.0  1.0
assign (resid  23 and name HN  ) (resid  24 and (name HB1 or name HB2  )) 3.8  1.5  1.5
assign (resid  23 and name HN  ) (resid  24 and name HN  )  2.7  1.1  1.1
assign (resid  23 and name HZ3  ) (resid  24 and (name HB1 or name HB2  )) 3.4  1.4  1.4
assign (resid  23 and name HA  ) (resid  25 and name HN  )  4.0  1.6  1.6
assign (resid  23 and name HA  ) (resid  26 and (name HB1 or name HB2  )) 2.9  1.2  1.2
assign (resid  23 and name HA  ) (resid  26 and (name HB2 or name HB1  )) 3.3  1.3  1.3
assign (resid  23 and name HA  ) (resid  26 and name HN  )  3.0  1.2  1.2
assign (resid  23 and name HN  ) (resid  26 and name HN  )  4.0  1.6  1.6
assign (resid  23 and (name HB2 or name HB1  )) (resid  27 and name HN  )  4.2  1.7  1.7
assign (resid  23 and name HE3  ) (resid  27 and (name HB1 or name HB2  )) 3.7  1.5  1.5
assign (resid  23 and name HZ3  ) (resid  27 and name HA  )  3.8  1.5  1.5
assign (resid  24 and name HA  ) (resid  24 and (name HB1 or name HB2  )) 2.9  1.1  1.1
assign (resid  24 and name HA  ) (resid  24 and (name HD1 or name HD2  )) 2.8  1.1  1.1
assign (resid  24 and name HA  ) (resid  24 and (name HD2 or name HD1  )) 3.6  1.4  1.4
assign (resid  24 and name HA  ) (resid  24 and name HE  )  3.4  1.4  1.4
assign (resid  24 and name HA  ) (resid  24 and (name HG1 or name HG2  )) 3.1  1.2  1.2
assign (resid  24 and name HA  ) (resid  24 and (name HG2 or name HG1  )) 2.9  1.1  1.1
assign (resid  24 and name HA  ) (resid  24 and name HN  )  3.2  1.3  1.3
assign (resid  24 and (name HB1 or name HB2  )) (resid  24 and (name HD2 or name HD1  )) 3.6  1.4  1.4
assign (resid  24 and (name HB1 or name HB2  )) (resid  24 and (name HG1 or name HG2  )) 2.6  1.0  1.0
assign (resid  24 and (name HB1 or name HB2  )) (resid  24 and (name HG2 or name HG1  )) 2.2  0.9  0.9
assign (resid  24 and (name HB1 or name HB2  )) (resid  24 and name HN  )  2.9  1.2  1.2
assign (resid  24 and (name HD1 or name HD2  )) (resid  24 and name HE  )  2.7  1.1  1.1
assign (resid  24 and (name HD1 or name HD2  )) (resid  24 and (name HG1 or name HG2  )) 2.9  1.2  1.2
assign (resid  24 and (name HD1 or name HD2  )) (resid  24 and (name HG2 or name HG1  )) 3.7  1.5  1.5
assign (resid  24 and (name HD2 or name HD1  )) (resid  24 and name HE  )  2.5  1.0  1.0
assign (resid  24 and (name HD2 or name HD1  )) (resid  24 and (name HG1 or name HG2  )) 3.1  1.2  1.2
assign (resid  24 and name HE  ) (resid  24 and (name HG1 or name HG2  )) 2.9  1.1  1.1
assign (resid  24 and name HE  ) (resid  24 and (name HG2 or name HG1  )) 3.6  1.4  1.4
assign (resid  24 and (name HG1 or name HG2  )) (resid  24 and name HN  )  3.5  1.4  1.4
assign (resid  24 and (name HG2 or name HG1  )) (resid  24 and name HN  )  2.8  1.1  1.1
assign (resid  24 and name HA  ) (resid  25 and name HN  )  3.4  1.4  1.4
assign (resid  24 and (name HB1 or name HB2  )) (resid  25 and name HN  )  2.9  1.2  1.2
assign (resid  24 and name HE  ) (resid  25 and name HA  )  3.0  1.2  1.2
assign (resid  24 and (name HG1 or name HG2  )) (resid  25 and name HA  )  2.9  1.2  1.2
assign (resid  24 and (name HG1 or name HG2  )) (resid  25 and name HN  )  2.8  1.1  1.1
assign (resid  24 and (name HG2 or name HG1  )) (resid  25 and name HA  )  3.2  1.3  1.3
assign (resid  24 and (name HG2 or name HG1  )) (resid  25 and name HN  )  3.1  1.2  1.2
assign (resid  24 and name HN  ) (resid  25 and name HN  )  2.4  0.9  0.9
assign (resid  24 and name HA  ) (resid  26 and name HN  )  4.3  1.7  1.7
assign (resid  24 and (name HG1 or name HG2  )) (resid  26 and name HN  )  4.2  1.7  1.7
assign (resid  24 and name HN  ) (resid  26 and (name HB2 or name HB1  )) 4.4  1.7  1.7
assign (resid  24 and name HN  ) (resid  26 and name HN  )  4.0  1.6  1.6
assign (resid  24 and name HA  ) (resid  27 and (name HB1 or name HB2  )) 3.0  1.2  1.2
assign (resid  24 and name HA  ) (resid  27 and name HN  )  2.9  1.2  1.2
assign (resid  24 and (name HB1 or name HB2  )) (resid  27 and (name HB2 or name HB1  )) 3.9  1.6  1.6
assign (resid  24 and name HE  ) (resid  27 and (name HB1 or name HB2  )) 3.8  1.5  1.5
assign (resid  24 and name HA  ) (resid  28 and name HN  )  3.8  1.5  1.5
assign (resid  24 and (name HD2 or name HD1  )) (resid  28 and name HG  )  2.8  1.1  1.1
assign (resid  24 and name HE  ) (resid  28 and (name HB1 or name HB2  )) 3.7  1.5  1.5
assign (resid  24 and name HE  ) (resid  28 and (name HD1# or name HD2#  )) 3.5  1.4  1.4
assign (resid  24 and name HE  ) (resid  28 and name HG  )  2.8  1.1  1.1
assign (resid  24 and (name HG1 or name HG2  )) (resid  28 and name HG  )  2.2  0.9  0.9
assign (resid  24 and (name HG2 or name HG1  )) (resid  28 and name HG  )  3.5  1.4  1.4
assign (resid  25 and name HA  ) (resid  25 and (name HB2 or name HB1  )) 3.2  1.3  1.3
assign (resid  25 and name HA  ) (resid  25 and (name HG1 or name HG2  )) 3.1  1.2  1.2
assign (resid  25 and name HA  ) (resid  25 and name HN  )  2.7  1.1  1.1
assign (resid  25 and (name HB2 or name HB1  )) (resid  25 and (name HG1 or name HG2  )) 2.6  1.0  1.0
assign (resid  25 and (name HB2 or name HB1  )) (resid  25 and name HN  )  2.5  1.0  1.0
assign (resid  25 and (name HG1 or name HG2  )) (resid  25 and name HN  )  2.6  1.0  1.0
assign (resid  25 and name HA  ) (resid  26 and name HN  )  3.3  1.3  1.3
assign (resid  25 and name HN  ) (resid  26 and name HN  )  2.5  1.0  1.0
assign (resid  25 and name HA  ) (resid  27 and name HN  )  4.3  1.7  1.7
assign (resid  25 and (name HB1 or name HB2  )) (resid  27 and name HN  )  4.4  1.8  1.8
assign (resid  25 and name HA  ) (resid  28 and (name HB1 or name HB2  )) 3.4  1.4  1.4
assign (resid  25 and name HA  ) (resid  28 and (name HD1# or name HD2#  )) 3.2  1.3  1.3
assign (resid  25 and name HA  ) (resid  28 and name HG  )  2.8  1.1  1.1
assign (resid  25 and name HA  ) (resid  28 and name HN  )  3.4  1.4  1.4
assign (resid  25 and name HA  ) (resid  29 and name HE  )  2.7  1.1  1.1
assign (resid  26 and name HA  ) (resid  26 and (name HB1 or name HB2  )) 2.9  1.2  1.2
assign (resid  26 and name HA  ) (resid  26 and (name HB2 or name HB1  )) 2.6  1.0  1.0
assign (resid  26 and name HA  ) (resid  26 and (name HG1 or name HG2  )) 3.3  1.3  1.3
assign (resid  26 and name HA  ) (resid  26 and (name HG2 or name HG1  )) 3.0  1.2  1.2
assign (resid  26 and name HA  ) (resid  26 and name HN  )  2.6  1.0  1.0
assign (resid  26 and (name HB1 or name HB2  )) (resid  26 and (name HG1 or name HG2  )) 2.6  1.1  1.1
assign (resid  26 and (name HB1 or name HB2  )) (resid  26 and (name HG2 or name HG1  )) 2.6  1.0  1.0
assign (resid  26 and (name HB1 or name HB2  )) (resid  26 and name HN  )  2.4  1.0  1.0
assign (resid  26 and (name HB2 or name HB1  )) (resid  26 and (name HG1 or name HG2  )) 2.7  1.1  1.1
assign (resid  26 and (name HB2 or name HB1  )) (resid  26 and name HN  )  2.3  0.9  0.9
assign (resid  26 and (name HG1 or name HG2  )) (resid  26 and name HN  )  2.6  1.1  1.1
assign (resid  26 and (name HG2 or name HG1  )) (resid  26 and name HN  )  3.0  1.2  1.2
assign (resid  26 and name HA  ) (resid  27 and name HN  )  3.2  1.3  1.3
assign (resid  26 and (name HB1 or name HB2  )) (resid  27 and name HN  )  2.8  1.1  1.1
assign (resid  26 and (name HB2 or name HB1  )) (resid  27 and name HN  )  2.9  1.2  1.2
assign (resid  26 and (name HG1 or name HG2  )) (resid  27 and name HN  )  4.2  1.7  1.7
assign (resid  26 and (name HG2 or name HG1  )) (resid  27 and name HN  )  4.3  1.7  1.7
assign (resid  26 and name HN  ) (resid  27 and name HN  )  2.5  1.0  1.0
assign (resid  26 and name HA  ) (resid  28 and name HN  )  3.8  1.5  1.5
assign (resid  26 and name HA  ) (resid  29 and (name HB1 or name HB2  )) 2.9  1.1  1.1
assign (resid  26 and name HA  ) (resid  29 and (name HD1 or name HD2  )) 3.4  1.4  1.4
assign (resid  26 and name HA  ) (resid  30 and (name HB1 or name HB2  )) 3.2  1.3  1.3
assign (resid  26 and (name HB2 or name HB1  )) (resid  30 and (name HD1 or name HD2  )) 3.1  1.3  1.3
assign (resid  26 and (name HB2 or name HB1  )) (resid  30 and name HN  )  4.4  1.8  1.8
assign (resid  27 and name HA  ) (resid  27 and (name HB1 or name HB2  )) 2.6  1.0  1.0
assign (resid  27 and name HA  ) (resid  27 and (name HB2 or name HB1  )) 2.7  1.1  1.1
assign (resid  27 and name HA  ) (resid  27 and name HN  )  2.5  1.0  1.0
assign (resid  27 and (name HB1 or name HB2  )) (resid  27 and name HN  )  2.4  1.0  1.0
assign (resid  27 and (name HB2 or name HB1  )) (resid  27 and name HN  )  2.7  1.1  1.1
assign (resid  27 and name HA  ) (resid  28 and name HN  )  3.2  1.3  1.3
assign (resid  27 and (name HB1 or name HB2  )) (resid  28 and name HN  )  2.8  1.1  1.1
assign (resid  27 and (name HB2 or name HB1  )) (resid  28 and name HN  )  2.9  1.1  1.1
assign (resid  27 and name HN  ) (resid  28 and name HN  )  2.5  1.0  1.0
assign (resid  27 and name HA  ) (resid  29 and name HN  )  3.1  1.2  1.2
assign (resid  27 and name HA  ) (resid  31 and name HN  )  3.7  1.5  1.5
assign (resid  28 and name HA  ) (resid  28 and (name HB1 or name HB2  )) 2.7  1.1  1.1
assign (resid  28 and name HA  ) (resid  28 and (name HB2 or name HB1  )) 2.6  1.0  1.0
assign (resid  28 and name HA  ) (resid  28 and (name HD2# or name HD1#  )) 2.3  0.9  0.9
assign (resid  28 and name HA  ) (resid  28 and name HG  )  2.8  1.1  1.1
assign (resid  28 and name HA  ) (resid  28 and name HN  )  2.5  1.0  1.0
assign (resid  28 and (name HB1 or name HB2  )) (resid  28 and (name HD1# or name HD2#  )) 2.3  0.9  0.9
assign (resid  28 and (name HB1 or name HB2  )) (resid  28 and (name HD2# or name HD1#  )) 2.5  1.0  1.0
assign (resid  28 and (name HB1 or name HB2  )) (resid  28 and name HG  )  2.7  1.1  1.1
assign (resid  28 and (name HB1 or name HB2  )) (resid  28 and name HN  )  2.3  0.9  0.9
assign (resid  28 and (name HB2 or name HB1  )) (resid  28 and (name HD2# or name HD1#  )) 2.5  1.0  1.0
assign (resid  28 and (name HB2 or name HB1  )) (resid  28 and name HG  )  2.4  0.9  0.9
assign (resid  28 and (name HB2 or name HB1  )) (resid  28 and name HN  )  2.7  1.1  1.1
assign (resid  28 and (name HD1# or name HD2#  )) (resid  28 and name HG  )  2.4  1.0  1.0
assign (resid  28 and (name HD1# or name HD2#  )) (resid  28 and name HN  )  3.0  1.2  1.2
assign (resid  28 and (name HD2# or name HD1#  )) (resid  28 and name HG  )  2.2  0.9  0.9
assign (resid  28 and name HG  ) (resid  28 and name HN  )  2.4  1.0  1.0
assign (resid  28 and (name HB1 or name HB2  )) (resid  29 and name HA  )  3.4  1.4  1.4
assign (resid  28 and (name HB2 or name HB1  )) (resid  29 and name HA  )  3.5  1.4  1.4
assign (resid  28 and (name HB2 or name HB1  )) (resid  29 and name HE  )  3.8  1.5  1.5
assign (resid  28 and (name HB2 or name HB1  )) (resid  29 and name HN  )  3.8  1.5  1.5
assign (resid  28 and (name HD2# or name HD1#  )) (resid  29 and name HN  )  4.2  1.7  1.7
assign (resid  28 and name HN  ) (resid  29 and name HE  )  4.0  1.6  1.6
assign (resid  28 and name HA  ) (resid  31 and (name HB1 or name HB2  )) 3.3  1.3  1.3
assign (resid  28 and name HA  ) (resid  32 and name HN  )  3.4  1.4  1.4
assign (resid  29 and name HA  ) (resid  29 and (name HB1 or name HB2  )) 2.3  0.9  0.9
assign (resid  29 and name HA  ) (resid  29 and (name HD1 or name HD2  )) 3.6  1.4  1.4
assign (resid  29 and name HA  ) (resid  29 and (name HG1 or name HG2  )) 3.0  1.2  1.2
assign (resid  29 and name HA  ) (resid  29 and (name HG2 or name HG1  )) 3.0  1.2  1.2
assign (resid  29 and (name HB1 or name HB2  )) (resid  29 and (name HD1 or name HD2  )) 2.5  1.0  1.0
assign (resid  29 and (name HB1 or name HB2  )) (resid  29 and name HE  )  3.3  1.3  1.3
assign (resid  29 and (name HB1 or name HB2  )) (resid  29 and (name HG1 or name HG2  )) 2.3  0.9  0.9
assign (resid  29 and (name HB1 or name HB2  )) (resid  29 and (name HG2 or name HG1  )) 2.4  1.0  1.0
assign (resid  29 and (name HB1 or name HB2  )) (resid  29 and name HN  )  2.1  0.8  0.8
assign (resid  29 and (name HD1 or name HD2  )) (resid  29 and name HE  )  2.6  1.0  1.0
assign (resid  29 and (name HD1 or name HD2  )) (resid  29 and (name HG1 or name HG2  )) 2.7  1.1  1.1
assign (resid  29 and (name HD1 or name HD2  )) (resid  29 and (name HG2 or name HG1  )) 2.6  1.1  1.1
assign (resid  29 and name HE  ) (resid  29 and (name HG2 or name HG1  )) 2.7  1.1  1.1
assign (resid  29 and (name HG1 or name HG2  )) (resid  29 and name HN  )  2.9  1.2  1.2
assign (resid  29 and (name HG2 or name HG1  )) (resid  29 and name HN  )  3.4  1.4  1.4
assign (resid  29 and name HA  ) (resid  30 and name HN  )  3.0  1.2  1.2
assign (resid  29 and name HN  ) (resid  30 and (name HB2 or name HB1  )) 2.9  1.2  1.2
assign (resid  29 and name HA  ) (resid  33 and name HN  )  3.6  1.4  1.4
assign (resid  29 and (name HB1 or name HB2  )) (resid  34 and name HN  )  4.4  1.8  1.8
assign (resid  30 and name HA  ) (resid  30 and (name HB1 or name HB2  )) 2.7  1.1  1.1
assign (resid  30 and name HA  ) (resid  30 and (name HB2 or name HB1  )) 2.7  1.1  1.1
assign (resid  30 and name HA  ) (resid  30 and (name HD1 or name HD2  )) 3.4  1.4  1.4
assign (resid  30 and name HA  ) (resid  30 and (name HD2 or name HD1  )) 3.9  1.6  1.6
assign (resid  30 and name HA  ) (resid  30 and (name HG1 or name HG2  )) 3.3  1.3  1.3
assign (resid  30 and name HA  ) (resid  30 and (name HG2 or name HG1  )) 3.1  1.2  1.2
assign (resid  30 and name HA  ) (resid  30 and name HN  )  2.5  1.0  1.0
assign (resid  30 and (name HB1 or name HB2  )) (resid  30 and (name HD1 or name HD2  )) 3.6  1.5  1.5
assign (resid  30 and (name HB1 or name HB2  )) (resid  30 and (name HD2 or name HD1  )) 3.9  1.5  1.5
assign (resid  30 and (name HB1 or name HB2  )) (resid  30 and name HE  )  2.4  1.0  1.0
assign (resid  30 and (name HB1 or name HB2  )) (resid  30 and (name HG1 or name HG2  )) 2.3  0.9  0.9
assign (resid  30 and (name HB1 or name HB2  )) (resid  30 and name HN  )  2.5  1.0  1.0
assign (resid  30 and (name HB2 or name HB1  )) (resid  30 and (name HD1 or name HD2  )) 3.8  1.5  1.5
assign (resid  30 and (name HB2 or name HB1  )) (resid  30 and (name HG1 or name HG2  )) 2.3  0.9  0.9
assign (resid  30 and (name HB2 or name HB1  )) (resid  30 and name HN  )  2.4  1.0  1.0
assign (resid  30 and (name HD1 or name HD2  )) (resid  30 and (name HG1 or name HG2  )) 3.2  1.3  1.3
assign (resid  30 and (name HD1 or name HD2  )) (resid  30 and (name HG2 or name HG1  )) 3.1  1.2  1.2
assign (resid  30 and (name HD2 or name HD1  )) (resid  30 and name HE  )  2.8  1.1  1.1
assign (resid  30 and (name HD2 or name HD1  )) (resid  30 and (name HG1 or name HG2  )) 2.5  1.0  1.0
assign (resid  30 and (name HD2 or name HD1  )) (resid  30 and (name HG2 or name HG1  )) 3.2  1.3  1.3
assign (resid  30 and name HE  ) (resid  30 and name HN  )  3.8  1.5  1.5
assign (resid  30 and (name HG1 or name HG2  )) (resid  30 and name HN  )  2.8  1.1  1.1
assign (resid  30 and name HA  ) (resid  32 and name HN  )  2.4  1.0  1.0
assign (resid  30 and name HN  ) (resid  32 and name HN  )  3.6  1.4  1.4
assign (resid  30 and name HA  ) (resid  34 and name HN  )  3.0  1.2  1.2
assign (resid  30 and name HE  ) (resid  35 and (name HB2 or name HB1  )) 3.8  1.5  1.5
assign (resid  31 and name HA  ) (resid  31 and (name HB1 or name HB2  )) 2.6  1.0  1.0
assign (resid  31 and name HA  ) (resid  31 and (name HG2 or name HG1  )) 3.1  1.2  1.2
assign (resid  31 and name HA  ) (resid  31 and name HN  )  2.4  1.0  1.0
assign (resid  31 and (name HB1 or name HB2  )) (resid  31 and (name HG1 or name HG2  )) 2.7  1.1  1.1
assign (resid  31 and (name HB1 or name HB2  )) (resid  31 and (name HG2 or name HG1  )) 2.7  1.1  1.1
assign (resid  31 and (name HB1 or name HB2  )) (resid  31 and name HN  )  2.4  0.9  0.9
assign (resid  31 and (name HG1 or name HG2  )) (resid  31 and name HN  )  2.7  1.1  1.1
assign (resid  31 and (name HG2 or name HG1  )) (resid  31 and name HN  )  3.2  1.3  1.3
assign (resid  31 and name HA  ) (resid  32 and name HN  )  3.0  1.2  1.2
assign (resid  31 and (name HB1 or name HB2  )) (resid  32 and (name HD1 or name HD2  )) 3.2  1.3  1.3
assign (resid  31 and (name HB1 or name HB2  )) (resid  32 and name HN  )  3.0  1.2  1.2
assign (resid  31 and name HN  ) (resid  32 and (name HB1 or name HB2  )) 3.7  1.5  1.5
assign (resid  31 and name HN  ) (resid  32 and name HN  )  2.5  1.0  1.0
assign (resid  31 and name HA  ) (resid  33 and name HN  )  3.2  1.3  1.3
assign (resid  31 and (name HB1 or name HB2  )) (resid  33 and name HN  )  4.2  1.7  1.7
assign (resid  31 and name HN  ) (resid  33 and name HN  )  3.5  1.4  1.4
assign (resid  32 and name HA  ) (resid  32 and (name HB1 or name HB2  )) 2.6  1.0  1.0
assign (resid  32 and name HA  ) (resid  32 and (name HB2 or name HB1  )) 2.6  1.0  1.0
assign (resid  32 and name HA  ) (resid  32 and (name HD1 or name HD2  )) 3.7  1.5  1.5
assign (resid  32 and name HA  ) (resid  32 and (name HD2 or name HD1  )) 3.7  1.5  1.5
assign (resid  32 and name HA  ) (resid  32 and (name HG1 or name HG2  )) 3.0  1.2  1.2
assign (resid  32 and name HA  ) (resid  32 and (name HG2 or name HG1  )) 2.9  1.1  1.1
assign (resid  32 and name HA  ) (resid  32 and name HN  )  2.8  1.1  1.1
assign (resid  32 and (name HB1 or name HB2  )) (resid  32 and (name HD1 or name HD2  )) 3.3  1.3  1.3
assign (resid  32 and (name HB1 or name HB2  )) (resid  32 and (name HD2 or name HD1  )) 3.4  1.4  1.4
assign (resid  32 and (name HB1 or name HB2  )) (resid  32 and (name HG2 or name HG1  )) 2.0  0.8  0.8
assign (resid  32 and (name HB1 or name HB2  )) (resid  32 and name HN  )  2.6  1.0  1.0
assign (resid  32 and (name HB2 or name HB1  )) (resid  32 and (name HD1 or name HD2  )) 3.1  1.3  1.3
assign (resid  32 and (name HB2 or name HB1  )) (resid  32 and (name HD2 or name HD1  )) 3.1  1.2  1.2
assign (resid  32 and (name HB2 or name HB1  )) (resid  32 and (name HG1 or name HG2  )) 1.9  0.8  0.8
assign (resid  32 and (name HB2 or name HB1  )) (resid  32 and name HN  )  3.0  1.2  1.2
assign (resid  32 and (name HD1 or name HD2  )) (resid  32 and (name HG1 or name HG2  )) 3.0  1.2  1.2
assign (resid  32 and (name HD1 or name HD2  )) (resid  32 and (name HG2 or name HG1  )) 3.2  1.3  1.3
assign (resid  32 and (name HD2 or name HD1  )) (resid  32 and (name HG1 or name HG2  )) 3.2  1.3  1.3
assign (resid  32 and name HE  ) (resid  32 and (name HG1 or name HG2  )) 3.1  1.3  1.3
assign (resid  32 and name HA  ) (resid  33 and name HN  )  2.8  1.1  1.1
assign (resid  32 and (name HB1 or name HB2  )) (resid  33 and (name HA2 or name HA1  )) 3.4  1.3  1.3
assign (resid  32 and (name HB1 or name HB2  )) (resid  33 and name HN  )  3.7  1.5  1.5
assign (resid  32 and (name HB2 or name HB1  )) (resid  33 and name HN  )  4.4  1.8  1.8
assign (resid  32 and (name HG2 or name HG1  )) (resid  33 and name HN  )  3.2  1.3  1.3
assign (resid  32 and name HN  ) (resid  33 and name HN  )  2.4  1.0  1.0
assign (resid  32 and name HA  ) (resid  34 and name HN  )  4.0  1.6  1.6
assign (resid  33 and (name HA1 or name HA2  )) (resid  33 and name HN  )  2.5  1.0  1.0
assign (resid  33 and (name HA2 or name HA1  )) (resid  33 and name HN  )  2.4  0.9  0.9
assign (resid  33 and (name HA1 or name HA2  )) (resid  34 and (name HD2# or name HD1#  )) 3.1  1.2  1.2
assign (resid  33 and (name HA1 or name HA2  )) (resid  34 and name HG  )  2.9  1.2  1.2
assign (resid  33 and (name HA2 or name HA1  )) (resid  34 and name HN  )  3.0  1.2  1.2
assign (resid  33 and name HN  ) (resid  34 and name HG  )  3.6  1.5  1.5
assign (resid  33 and name HN  ) (resid  34 and name HN  )  2.3  0.9  0.9
assign (resid  34 and name HA  ) (resid  34 and (name HB1 or name HB2  )) 2.7  1.1  1.1
assign (resid  34 and name HA  ) (resid  34 and (name HD1# or name HD2#  )) 3.7  1.5  1.5
assign (resid  34 and name HA  ) (resid  34 and (name HD2# or name HD1#  )) 3.6  1.4  1.4
assign (resid  34 and name HA  ) (resid  34 and name HG  )  3.3  1.3  1.3
assign (resid  34 and name HA  ) (resid  34 and name HN  )  2.9  1.1  1.1
assign (resid  34 and (name HB1 or name HB2  )) (resid  34 and (name HD1# or name HD2#  )) 2.7  1.1  1.1
assign (resid  34 and (name HB1 or name HB2  )) (resid  34 and (name HD2# or name HD1#  )) 2.5  1.0  1.0
assign (resid  34 and (name HB1 or name HB2  )) (resid  34 and name HN  )  2.8  1.1  1.1
assign (resid  34 and (name HD1# or name HD2#  )) (resid  34 and name HN  )  3.5  1.4  1.4
assign (resid  34 and (name HD2# or name HD1#  )) (resid  34 and name HG  )  2.7  1.1  1.1
assign (resid  34 and (name HD2# or name HD1#  )) (resid  34 and name HN  )  3.4  1.4  1.4
assign (resid  34 and name HG  ) (resid  34 and name HN  )  2.7  1.1  1.1
assign (resid  34 and name HA  ) (resid  35 and (name HD1 or name HD2  )) 2.9  1.2  1.2
assign (resid  34 and name HA  ) (resid  35 and name HN  )  2.5  1.0  1.0
assign (resid  34 and (name HB1 or name HB2  )) (resid  35 and name HN  )  2.5  1.0  1.0
assign (resid  34 and (name HD1# or name HD2#  )) (resid  35 and (name HD1 or name HD2  )) 4.2  1.7  1.7
assign (resid  34 and (name HD2# or name HD1#  )) (resid  35 and (name HB2 or name HB1  )) 3.5  1.4  1.4
assign (resid  34 and name HN  ) (resid  35 and (name HB2 or name HB1  )) 3.1  1.2  1.2
assign (resid  35 and name HA  ) (resid  35 and (name HB1 or name HB2  )) 2.8  1.1  1.1
assign (resid  35 and name HA  ) (resid  35 and (name HB2 or name HB1  )) 2.7  1.1  1.1
assign (resid  35 and name HA  ) (resid  35 and (name HD1 or name HD2  )) 3.0  1.2  1.2
assign (resid  35 and (name HB1 or name HB2  )) (resid  35 and (name HD1 or name HD2  )) 2.4  1.0  1.0
assign (resid  35 and (name HB1 or name HB2  )) (resid  35 and name HN  )  3.2  1.3  1.3
assign (resid  35 and (name HB2 or name HB1  )) (resid  35 and (name HD1 or name HD2  )) 2.9  1.1  1.1
assign (resid  35 and (name HB2 or name HB1  )) (resid  35 and name HN  )  2.8  1.1  1.1
assign (resid  35 and (name HD1 or name HD2  )) (resid  35 and (name HE1 or name HE2  )) 1.9  0.8  0.8
!L1
assign (resid 1 and name n  ) (resid 1 and name ca )
       (resid 1 and name cb ) (resid 1 and name cg )  1.0  -120.0    90.0 2
assign (resid 1 and name ca ) (resid 1 and name cb )
       (resid 1 and name cg ) (resid 1 and name cd1 )  1.0  120.0    90.0 2
!S2
!D3
assign (resid 3 and name ca ) (resid 3 and name cb )
       (resid 3 and name cg ) (resid 3 and name od1)  1.0    0.0   90.0 2
!E4
assign (resid 4 and name n  ) (resid 4 and name ca )
       (resid 4 and name cb ) (resid 4 and name cg )  1.0  180.0   20.0 2
assign (resid 4 and name ca ) (resid 4 and name cb )
       (resid 4 and name cg ) (resid 4 and name cd )  1.0  120.0   90.0 2       
assign (resid 4 and name cb ) (resid 4 and name cg )
       (resid 4 and name cd ) (resid 4 and name oe1)  1.0    0.0   90.0 2
!D5
assign (resid 5 and name ca ) (resid 5 and name cb )
       (resid 5 and name cg ) (resid 5 and name od1)  1.0    0.0   90.0 2
!F6
assign (resid 6 and name n  ) (resid 6   and name ca )
       (resid 6 and name cb ) (resid 6   and name cg )  1.0  180.0   20.0 2
assign (resid 6 and name ca ) (resid 6   and name cb )
       (resid 6 and name cg ) (resid 6   and name cd1 )  1.0  90.0   30.0 2
!R7
assign (resid 7 and name n  ) (resid 7 and name ca )
       (resid 7 and name cb ) (resid 7 and name cg )  1.0  180.0   20.0 2
assign (resid 7 and name ca ) (resid 7 and name cb )
       (resid 7 and name cg ) (resid 7 and name cd )  1.0  120.0   90.0 2       
!F10
assign (resid 10 and name n  ) (resid 10  and name ca )
       (resid 10 and name cb ) (resid 10  and name cg )  1.0  -60.0   20.0 2
assign (resid 10 and name ca ) (resid 10  and name cb )
       (resid 10 and name cg ) (resid 10  and name cd1 )  1.0  90.0   30.0 2
!R14
assign (resid 14 and name n  ) (resid 14 and name ca )
       (resid 14 and name cb ) (resid 14 and name cg )  1.0  -60.0   30.0 2
assign (resid 14 and name ca ) (resid 14 and name cb )
       (resid 14 and name cg ) (resid 14 and name cd )  1.0  -120.0   90.0 2
!F17
assign (resid 17 and name n  ) (resid 17  and name ca )
       (resid 17 and name cb ) (resid 17  and name cg )  1.0  180.0   20.0 2
assign (resid 17 and name ca ) (resid 17  and name cb )
       (resid 17 and name cg ) (resid 17  and name cd1 )  1.0  90.0   30.0 2
!L20
assign (resid 20 and name n  ) (resid 20 and name ca )
       (resid 20 and name cb ) (resid 20 and name cg )  1.0  -60.0   20.0 2
assign (resid 20 and name ca ) (resid 20 and name cb )
       (resid 20 and name cg ) (resid 20 and name cd1 )  1.0  180.0   20.0 2
!L22
assign (resid 22 and name ca ) (resid 22 and name cb )
       (resid 22 and name cg ) (resid 22 and name cd1 )  1.0  120.0    90.0 2

!W23
assign (resid 23 and name n  ) (resid 23 and name ca )
       (resid 23 and name cb ) (resid 23 and name cg )  1.0  70.0   20.0 2
assign (resid 23 and name ca ) (resid 23 and name cb )
       (resid 23 and name cg ) (resid 23 and name cd1 )  1.0  -90.0    20.0 2
!R24
assign (resid 24 and name n  ) (resid 24 and name ca )
       (resid 24 and name cb ) (resid 24 and name cg )  1.0  180.0   20.0 2
assign (resid 24 and name ca ) (resid 24 and name cb )
       (resid 24 and name cg ) (resid 24 and name cd )  1.0  120.0   90.0 2       
!Q25
assign (resid 25 and name n  ) (resid 25 and name ca )
       (resid 25 and name cb ) (resid 25 and name cg )  1.0  0.0   90.0 2
assign (resid 25 and name ca ) (resid 25 and name cb )
       (resid 25 and name cg ) (resid 25 and name cd )  1.0  180.0    20.0 2
!Q26
assign (resid 26 and name n  ) (resid 26 and name ca )
       (resid 26 and name cb ) (resid 26 and name cg )  1.0  -60.0   30.0 2
!assign (resid 26 and name ca ) (resid 26 and name cb )
!       (resid 26 and name cg ) (resid 26 and name cd )  1.0  -120.0    90.0 2
!N27
assign (resid 27 and name n  ) (resid 27 and name ca )
       (resid 27 and name cb ) (resid 27 and name cg )  1.0  -170.0   20.0 2
!L28
assign (resid 28 and name n  ) (resid 28 and name ca )
       (resid 28 and name cb ) (resid 28 and name cg )  1.0  -60.0   20.0 2
assign (resid 28 and name ca ) (resid 28 and name cb )
       (resid 28 and name cg ) (resid 28 and name cd1 )  1.0  180.0   20.0 2
!R29
assign (resid 29 and name n  ) (resid 29 and name ca )
       (resid 29 and name cb ) (resid 29 and name cg )  1.0  -60.0   30.0 2
assign (resid 29 and name ca ) (resid 29 and name cb )
       (resid 29 and name cg ) (resid 29 and name cd )  1.0  180.0  20.0 2       
!R30
assign (resid 30 and name n  ) (resid 30 and name ca )
       (resid 30 and name cb ) (resid 30 and name cg )  1.0  -120.0   90.0 2
!E31
assign (resid 31 and name n  ) (resid 31 and name ca )
       (resid 31 and name cb ) (resid 31 and name cg )  1.0  -120.0   90.0 2
!R32
assign (resid 32 and name n  ) (resid 32 and name ca )
       (resid 32 and name cb ) (resid 32 and name cg )  1.0  -120.0   90.0 2
assign (resid 32 and name ca ) (resid 32 and name cb )
       (resid 32 and name cg ) (resid 32 and name cd )  1.0  120.0   90.0 2       
!L34
assign (resid 34 and name n  ) (resid 34 and name ca )
       (resid 34 and name cb ) (resid 34 and name cg )  1.0  -60.0   20.0 2
assign (resid 34 and name ca ) (resid 34 and name cb )
       (resid 34 and name cg ) (resid 34 and name cd1 )  1.0  180.0   20.0 2
!F35
assign (resid 35 and name ca ) (resid 35 and name cb )
       (resid 35 and name cg ) (resid 35 and name cd1 )  1.0  90.0     30.0 2
!! D3
assign (resid   3 and name  N) (resid   3 and name CA)
       (resid   3 and name  C) (resid   4 and name  N)   1 -39.00 6.00  2
!! E4
assign (resid   4 and name  N) (resid   4 and name CA)
       (resid   4 and name  C) (resid   5 and name  N)   1 -42.00 14.00  2
!! D5
assign (resid   5 and name  N) (resid   5 and name CA)
       (resid   5 and name  C) (resid   6 and name  N)   1 -43.00 16.00  2
!! F6
assign (resid   6 and name  N) (resid   6 and name CA)
       (resid   6 and name  C) (resid   7 and name  N)   1 -45.00 10.00  2
!! R7
assign (resid   7 and name  N) (resid   7 and name CA)
       (resid   7 and name  C) (resid   8 and name  N)   1 -42.00 12.00  2
!! A8
assign (resid   8 and name  N) (resid   8 and name CA)
       (resid   8 and name  C) (resid   9 and name  N)   1 -42.00 14.00  2
!! V9
assign (resid   9 and name  N) (resid   9 and name CA)
       (resid   9 and name  C) (resid  10 and name  N)   1 -42.00 14.00  2
!! F10
assign (resid  10 and name  N) (resid  10 and name CA)
       (resid  10 and name  C) (resid  11 and name  N)   1 -8.00 36.00  2
!! G11
assign (resid  11 and name  N) (resid  11 and name CA)
       (resid  11 and name  C) (resid  12 and name  N)   1 23.00 32.00  2
!! T13
!!assign (resid  13 and name  N) (resid  13 and name CA)
!!       (resid  13 and name  C) (resid  14 and name  N)   1 -42.00 8.00  2
!! R14
assign (resid  14 and name  N) (resid  14 and name CA)
       (resid  14 and name  C) (resid  15 and name  N)   1 -45.00 14.00  2
!! S15
assign (resid  15 and name  N) (resid  15 and name CA)
       (resid  15 and name  C) (resid  16 and name  N)   1 -34.00 18.00  2
!! A16
assign (resid  16 and name  N) (resid  16 and name CA)
       (resid  16 and name  C) (resid  17 and name  N)   1 -40.00 14.00  2
!! F17
assign (resid  17 and name  N) (resid  17 and name CA)
       (resid  17 and name  C) (resid  18 and name  N)   1 -40.00 8.00  2
!! A18
assign (resid  18 and name  N) (resid  18 and name CA)
       (resid  18 and name  C) (resid  19 and name  N)   1 -34.00 40.00  2
!! N19
assign (resid  19 and name  N) (resid  19 and name CA)
       (resid  19 and name  C) (resid  20 and name  N)   1 -35.00 20.00  2
!! P21
assign (resid  21 and name  N) (resid  21 and name CA)
       (resid  21 and name  C) (resid  22 and name  N)   1 147.00 36.00  2
!! L22
assign (resid  22 and name  N) (resid  22 and name CA)
       (resid  22 and name  C) (resid  23 and name  N)   1 -43.00 16.00  2
!! W23
assign (resid  23 and name  N) (resid  23 and name CA)
       (resid  23 and name  C) (resid  24 and name  N)   1 -40.00 16.00  2
!! R24
assign (resid  24 and name  N) (resid  24 and name CA)
       (resid  24 and name  C) (resid  25 and name  N)   1 -40.00 12.00  2
!! Q25
assign (resid  25 and name  N) (resid  25 and name CA)
       (resid  25 and name  C) (resid  26 and name  N)   1 -45.00 12.00  2
!! Q26
assign (resid  26 and name  N) (resid  26 and name CA)
       (resid  26 and name  C) (resid  27 and name  N)   1 -41.00 18.00  2
!! N27
assign (resid  27 and name  N) (resid  27 and name CA)
       (resid  27 and name  C) (resid  28 and name  N)   1 -42.00 10.00  2
!! L28
assign (resid  28 and name  N) (resid  28 and name CA)
       (resid  28 and name  C) (resid  29 and name  N)   1 -38.00 20.00  2
!! R29
assign (resid  29 and name  N) (resid  29 and name CA)
       (resid  29 and name  C) (resid  30 and name  N)   1 -37.00 20.00  2
!! R30
assign (resid  30 and name  N) (resid  30 and name CA)
       (resid  30 and name  C) (resid  31 and name  N)   1 -37.00 24.00  2
!! E31
assign (resid  31 and name  N) (resid  31 and name CA)
       (resid  31 and name  C) (resid  32 and name  N)   1 -31.00 24.00  2
!! R32
assign (resid  32 and name  N) (resid  32 and name CA)
       (resid  32 and name  C) (resid  33 and name  N)   1 -10.00 24.00  2
!! G33
assign (resid  33 and name  N) (resid  33 and name CA)
       (resid  33 and name  C) (resid  34 and name  N)   1 25.00 40.00  2
!! D3
assign (resid   2 and name  C) (resid   3 and name  N)
       (resid   3 and name CA) (resid   3 and name  C)   1 -64.00 10.00  2
!! E4
assign (resid   3 and name  C) (resid   4 and name  N)
       (resid   4 and name CA) (resid   4 and name  C)   1 -66.00 14.00  2
!! D5
assign (resid   4 and name  C) (resid   5 and name  N)
       (resid   5 and name CA) (resid   5 and name  C)   1 -65.00 10.00  2
!! F6
assign (resid   5 and name  C) (resid   6 and name  N)
       (resid   6 and name CA) (resid   6 and name  C)   1 -63.00 14.00  2
!! R7
assign (resid   6 and name  C) (resid   7 and name  N)
       (resid   7 and name CA) (resid   7 and name  C)   1 -63.00 10.00  2
!! A8
assign (resid   7 and name  C) (resid   8 and name  N)
       (resid   8 and name CA) (resid   8 and name  C)   1 -66.00 10.00  2
!! V9
assign (resid   8 and name  C) (resid   9 and name  N)
       (resid   9 and name CA) (resid   9 and name  C)   1 -76.00 28.00  2
!! F10
assign (resid   9 and name  C) (resid  10 and name  N)
       (resid  10 and name CA) (resid  10 and name  C)   1 -91.00 50.00  2
!! G11
assign (resid  10 and name  C) (resid  11 and name  N)
       (resid  11 and name CA) (resid  11 and name  C)   1 68.00 34.00  2
!! T13
!!assign (resid  12 and name  C) (resid  13 and name  N)
!!       (resid  13 and name CA) (resid  13 and name  C)   1 -64.00 10.00  2
!! R14
assign (resid  13 and name  C) (resid  14 and name  N)
       (resid  14 and name CA) (resid  14 and name  C)   1 -63.00 8.00  2
!! S15
assign (resid  14 and name  C) (resid  15 and name  N)
       (resid  15 and name CA) (resid  15 and name  C)   1 -62.00 6.00  2
!! A16
assign (resid  15 and name  C) (resid  16 and name  N)
       (resid  16 and name CA) (resid  16 and name  C)   1 -65.00 10.00  2
!! F17
assign (resid  16 and name  C) (resid  17 and name  N)
       (resid  17 and name CA) (resid  17 and name  C)   1 -67.00 10.00  2
!! A18
assign (resid  17 and name  C) (resid  18 and name  N)
       (resid  18 and name CA) (resid  18 and name  C)   1 -65.00 10.00  2
!! N19
assign (resid  18 and name  C) (resid  19 and name  N)
       (resid  19 and name CA) (resid  19 and name  C)   1 -73.00 28.00  2
!! P21
assign (resid  20 and name  C) (resid  21 and name  N)
       (resid  21 and name CA) (resid  21 and name  C)   1 -69.00 30.00  2
!! L22
assign (resid  21 and name  C) (resid  22 and name  N)
       (resid  22 and name CA) (resid  22 and name  C)   1 -56.00 22.00  2
!! W23
assign (resid  22 and name  C) (resid  23 and name  N)
       (resid  23 and name CA) (resid  23 and name  C)   1 -62.00 16.00  2
!! R24
assign (resid  23 and name  C) (resid  24 and name  N)
       (resid  24 and name CA) (resid  24 and name  C)   1 -64.00 12.00  2
!! Q25
assign (resid  24 and name  C) (resid  25 and name  N)
       (resid  25 and name CA) (resid  25 and name  C)   1 -62.00 12.00  2
!! Q26
assign (resid  25 and name  C) (resid  26 and name  N)
       (resid  26 and name CA) (resid  26 and name  C)   1 -62.00 6.00  2
!! N27
assign (resid  26 and name  C) (resid  27 and name  N)
       (resid  27 and name CA) (resid  27 and name  C)   1 -64.00 12.00  2
!! L28
assign (resid  27 and name  C) (resid  28 and name  N)
       (resid  28 and name CA) (resid  28 and name  C)   1 -66.00 10.00  2
!! R29
assign (resid  28 and name  C) (resid  29 and name  N)
       (resid  29 and name CA) (resid  29 and name  C)   1 -66.00 16.00  2
!! R30
assign (resid  29 and name  C) (resid  30 and name  N)
       (resid  30 and name CA) (resid  30 and name  C)   1 -66.00 12.00  2
!! E31
assign (resid  30 and name  C) (resid  31 and name  N)
       (resid  31 and name CA) (resid  31 and name  C)   1 -67.00 20.00  2
!! R32
assign (resid  31 and name  C) (resid  32 and name  N)
       (resid  32 and name CA) (resid  32 and name  C)   1 -94.00 34.00  2
!! G33
assign (resid  32 and name  C) (resid  33 and name  N)
       (resid  33 and name CA) (resid  33 and name  C)   1 65.00 56.00  2
! helix

!!assign ( resid 3  and name O ) ( resid 7  and name HN ) 1.9 0.4 0.6
!!assign ( resid 3  and name O ) ( resid 7  and name N  ) 2.9 0.5 0.7

assign ( resid 4  and name O ) ( resid 8  and name HN ) 1.9 0.4 0.6
assign ( resid 4  and name O ) ( resid 8  and name N  ) 2.9 0.5 0.7

!!assign ( resid 5  and name O ) ( resid 9  and name HN ) 1.9 0.4 0.6
!!assign ( resid 5  and name O ) ( resid 9  and name N  ) 2.9 0.5 0.7

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

assign ( resid 14  and name O ) ( resid 18  and name HN ) 1.9 0.4 0.6
assign ( resid 14  and name O ) ( resid 18  and name N  ) 2.9 0.5 0.7

!assign ( resid 22  and name O ) ( resid 26  and name HN ) 1.9 0.4 0.6
!assign ( resid 22  and name O ) ( resid 26  and name N  ) 2.9 0.5 0.7

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

assign ( resid 24  and name O ) ( resid 28  and name HN ) 1.9 0.4 0.6
assign ( resid 24  and name O ) ( resid 28  and name N  ) 2.9 0.5 0.7

assign ( resid 25  and name O ) ( resid 29  and name HN ) 1.9 0.4 0.6
assign ( resid 25  and name O ) ( resid 29  and name N  ) 2.9 0.5 0.7

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

!assign ( resid 27  and name O ) ( resid 31  and name HN ) 1.9 0.4 0.6
!assign ( resid 27  and name O ) ( resid 31  and name N  ) 2.9 0.5 0.7

!Set confirmed

!intra:

!2.86 ppm and 2.59 ppm
assign (resid 10 and name FD# ) (resid 10 and (name HB1 or name HB2 )) 2.8 1.2 1.2
assign (resid 10 and name FD# ) (resid 10 and (name HB2 or name HB1 )) 2.8 1.2 1.2

!2.86 ppm (medium) and 2.59 ppm (v. weak)
assign (resid 10 and name FE# ) (resid 10 and (name HB1 or name HB2 )) 4.0 1.6 1.6
assign (resid 10 and name FE# ) (resid 10 and (name HB2 or name HB1 )) 5.0 2.0 2.0

!inter:

!1.68 ppm choose one (equally probable):
assign (resid 10 and name FD# ) (resid 9 and name HB ) 4.0 1.6 1.6
!assign (resid 10 and name FD# ) (resid 28 and (name HB2 or name HB1 )) 4.0 1.6 1.6
!assign (resid 10 and name FD# ) (resid 29 and (name HG2 or name HG1 )) 4.0 1.6 1.6
!assign (resid 10 and name FD# ) (resid 32 and (name HB2 or name HB1 )) 4.0 1.6 1.6

!1.68 ppm choose one (equally probable):
assign (resid  10 and name FZ  ) (resid   9 and name HB  )  3.0 1.2 1.2
!assign (resid 10 and name FZ ) (resid 28 and (name HB2 or name HB1 )) 3.0 1.2 1.2
!assign (resid 10 and name FZ ) (resid 29 and (name HG2 or name HG1 )) 3.0 1.2 1.2
!assign (resid 10 and name FZ ) (resid 32 and (name HB2 or name HB1 )) 3.0 1.2 1.2

!1.45 ppm choose one (first probable):
assign (resid 10 and name FZ ) (resid 32 and (name HG2 or name HG1 )) 4.0 1.6 1.6
!assign (resid 10 and name FZ ) (resid 34 and (name HB1 or name HB2 )) 4.0 1.6 1.6
!assign (resid 10 and name FZ ) (resid 34 and (name HG1 or name HG2 )) 4.0 1.6 1.6

!0.65 ppm choose one (first probable):
assign (resid 10 and name FZ ) (resid 34 and name HD2# ) 4.0 1.6 1.6
!assign (resid 10 and name FZ ) (resid 24 and (name HG2 or name HG1 )) 3.0 1.2 1.2

!3.94 ppm choose one (first probable):
assign (resid  10 and name FZ  ) (resid   6 and name HA  )  4.0  1.6  1.6
!assign (resid  10 and name FZ  ) (resid 33 and (name HA1 or name HA2 ))  4.0 1.6 1.6
!assign (resid  10 and name FZ  ) (resid   7 and name HA  )  4.0  1.6  1.6
!assign (resid  10 and name FZ  ) (resid 11 and name (HA1 or name HA2 ))  4.0  1.6  1.6

!7.23 ppm choose one (first probable):
assign (resid 10 and name FE# ) (resid 6 and (name HE1 or name HE2 )) 2.0 0.8 0.8
!assign (resid 10 and name FE# ) (resid 17 and name HZ ) 2.0 0.8 0.8
!assign (resid 10 and name FE# ) (resid 29 and name HE ) 2.0 0.8 0.8
!assign (resid 10 and name FE# ) (resid 35 and name HZ ) 2.0 0.8 0.8
!assign (resid 10 and name FE# ) (resid 35 and (name HD1 or name HD2 )) 2.0 0.8 0.8

!7.15 ppm choose one (first probable):
assign (resid 10 and name FE# ) (resid 17 and name HZ ) 2.0 0.8 0.8
!assign (resid 10 and name FE# ) (resid 35 and (name HD1 or name HD2 )) 2.0 0.8 0.8
!assign (resid 10 and name FE# ) (resid 35 and name HZ ) 2.0 0.8 0.8
!assign (resid 10 and name FE# ) (resid 14 and name HE ) 2.0 0.8 0.8
!assign (resid 10 and name FE# ) (resid 24 and name HE ) 2.0 0.8 0.8

!3.94 ppm choose one (first probable):
assign (resid 10 and name FE# ) (resid 6 and name HA ) 3.0 1.2 1.2
!assign (resid 10 and name FE# ) (resid 33 and (name HA1 or name HA2 )) 5.0 2.0 2.0
!assign (resid 10 and name FE# ) (resid 7 and name HA ) 3.0 1.2 1.2
!assign (resid 10 and name FE# ) (resid 11 and name (HA1 or name HA2 )) 3.0 1.2 1.2

!1.68 ppm choose one (equally probable):
assign (resid 10 and name FE# ) (resid 9 and name HB ) 2.0 0.8 0.8
!assign (resid 10 and name FE# ) (resid 28 and (name HB2 or name HB1 )) 2.0 0.8 0.8
!assign (resid 10 and name FE# ) (resid 29 and (name HG2 or name HG1 )) 2.0 0.8 0.8
!assign (resid 10 and name FE# ) (resid 32 and (name HB2 or name HB1 )) 2.0 0.8 0.8

!0.65 ppm choose one (first probable):
assign (resid 10 and name FE# ) (resid 34 and name HD2# ) 4.0 1.6 1.6
!assign (resid 10 and name FE# ) (resid 24 and (name HG2 or name HG1 )) 4.0 1.6 1.6

!0.36 ppm choose one (first probable):
assign (resid 10 and name FE# ) (resid 9 and name HG2# ) 4.0 1.6 1.6

!2.21 ppm:
assign (resid 10 and name FE# ) (resid 28 and (name HB1 or name HB2 )) 5.0 2.0 2.0
!assign (resid 10 and name FE# ) (resid 12 and (name HB2 or name HB1 )) 5.0 2.0 2.0
!assign (resid 10 and name FE# ) (resid 12 and name HE# ) 5.0 2.0 2.0
!assign (resid 10 and name FE# ) (resid 31 and (name HB1 or name HB2 )) 5.0 2.0 2.0

!0.95 ppm choose one (equally probable):
assign (resid 10 and name FE# ) (resid 28 and name HD1# ) 5.0 2.0 2.0
!assign (resid 10 and name FE# ) (resid 28 and name HD2# ) 4.0 1.6 1.6
!assign (resid 10 and name FE# ) (resid 14 and (name HG1 or name HG2 )) 4.0 1.6 1.6
!assign (resid 10 and name FE# ) (resid 9 and name HG1# ) 4.0 1.6 1.6

!0.91 ppm choose one (equally probable):
assign (resid 10 and name FE# ) (resid 28 and name HD2# ) 4.0 1.6 1.6
!assign (resid 10 and name FE# ) (resid 14 and (name HG1 or name HG2 )) 4.0 1.6 1.6
!assign (resid 10 and name FE# ) (resid 28 and name HD1# ) 4.0 1.6 1.6
!assign (resid 10 and name FE# ) (resid 9 and name HG1# ) 4.0 1.6 1.6

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LEU   1          1HT       LEU   1   2.243  -0.813  11.265
    2   2H    LEU   1          2HT       LEU   1   0.709  -0.114  11.476
    3   3H    LEU   1          3HT       LEU   1   1.423  -0.152   9.936
    4    HA   LEU   1           HA       LEU   1   0.176  -2.334  11.465
    5   1HB   LEU   1          2HB       LEU   1  -0.902  -0.919   9.571
    6   2HB   LEU   1          1HB       LEU   1   0.152  -1.831   8.491
    7    HG   LEU   1           HG       LEU   1  -0.813  -3.901   9.842
    8   1HD1  LEU   1          1HD1      LEU   1  -3.019  -3.601  10.677
    9   2HD1  LEU   1          2HD1      LEU   1  -3.161  -2.002   9.947
   10   3HD1  LEU   1          3HD1      LEU   1  -2.099  -2.247  11.335
   11   1HD2  LEU   1          1HD2      LEU   1  -2.283  -2.364   7.679
   12   2HD2  LEU   1          2HD2      LEU   1  -2.654  -4.029   8.129
   13   3HD2  LEU   1          3HD2      LEU   1  -1.078  -3.630   7.443
   14    H    SER   2           H        SER   2   0.602  -3.721   8.698
   15    HA   SER   2           HA       SER   2   2.998  -5.183   9.558
   16   1HB   SER   2          2HB       SER   2   0.805  -6.118   8.438
   17   2HB   SER   2          1HB       SER   2   1.607  -5.660   6.939
   18    HG   SER   2           HG       SER   2   3.398  -6.926   7.633
   19    H    ASP   3           H        ASP   3   4.232  -3.009   9.207
   20    HA   ASP   3           HA       ASP   3   4.766  -1.985   6.622
   21   1HB   ASP   3          2HB       ASP   3   6.629  -2.213   9.007
   22   2HB   ASP   3          1HB       ASP   3   6.928  -1.207   7.589
   23    H    GLU   4           H        GLU   4   5.961  -4.857   8.255
   24    HA   GLU   4           HA       GLU   4   8.084  -5.405   6.358
   25   1HB   GLU   4          2HB       GLU   4   7.820  -6.368   8.730
   26   2HB   GLU   4          1HB       GLU   4   6.633  -7.467   8.027
   27   1HG   GLU   4          2HG       GLU   4   8.745  -8.612   7.986
   28   2HG   GLU   4          1HG       GLU   4   8.398  -8.122   6.328
   29    H    ASP   5           H        ASP   5   4.848  -6.859   6.848
   30    HA   ASP   5           HA       ASP   5   4.949  -8.340   4.366
   31   1HB   ASP   5          2HB       ASP   5   3.471  -8.788   6.438
   32   2HB   ASP   5          1HB       ASP   5   2.416  -7.528   5.797
   33    H    PHE   6           H        PHE   6   3.445  -5.271   5.358
   34    HA   PHE   6           HA       PHE   6   2.049  -4.643   3.004
   35   1HB   PHE   6          2HB       PHE   6   1.929  -3.250   5.019
   36   2HB   PHE   6          1HB       PHE   6   3.616  -2.779   4.814
   37    HD1  PHE   6           1HD      PHE   6   0.183  -2.257   3.699
   38    HD2  PHE   6           2HD      PHE   6   4.306  -1.394   2.856
   39    HE1  PHE   6           1HE      PHE   6  -0.511  -0.419   2.186
   40    HE2  PHE   6           2HE      PHE   6   3.611   0.444   1.342
   41    HZ   PHE   6           HZ       PHE   6   1.203   0.931   1.007
   42    H    ARG   7           H        ARG   7   5.388  -3.592   3.783
   43    HA   ARG   7           HA       ARG   7   6.021  -2.428   1.322
   44   1HB   ARG   7          2HB       ARG   7   7.479  -2.434   3.362
   45   2HB   ARG   7          1HB       ARG   7   7.913  -4.105   3.000
   46   1HG   ARG   7          2HG       ARG   7   8.772  -3.389   0.787
   47   2HG   ARG   7          1HG       ARG   7   8.380  -1.717   1.190
   48   1HD   ARG   7          2HD       ARG   7   9.841  -2.561   3.386
   49   2HD   ARG   7          1HD       ARG   7  10.658  -3.350   2.040
   50    HE   ARG   7           HE       ARG   7  10.950  -0.626   2.649
   51   1HH1  ARG   7          1HH2      ARG   7   9.940  -2.595   0.005
   52   2HH1  ARG   7          2HH2      ARG   7  10.476  -1.477  -1.204
   53   1HH2  ARG   7          1HH1      ARG   7  11.656   0.842   1.088
   54   2HH2  ARG   7          2HH1      ARG   7  11.448   0.470  -0.591
   55    H    ALA   8           H        ALA   8   6.044  -5.861   2.192
   56    HA   ALA   8           HA       ALA   8   7.271  -6.772  -0.251
   57   1HB   ALA   8          1HB       ALA   8   7.084  -8.108   1.872
   58   2HB   ALA   8          2HB       ALA   8   6.548  -8.983   0.437
   59   3HB   ALA   8          3HB       ALA   8   5.362  -8.294   1.546
   60    H    VAL   9           H        VAL   9   3.962  -5.972   0.640
   61    HA   VAL   9           HA       VAL   9   2.723  -7.325  -1.589
   62    HB   VAL   9           HB       VAL   9   1.756  -5.045   0.151
   63   1HG1  VAL   9          1HG1      VAL   9   0.385  -6.682  -1.992
   64   2HG1  VAL   9          2HG1      VAL   9   0.498  -4.926  -1.879
   65   3HG1  VAL   9          3HG1      VAL   9  -0.511  -5.818  -0.742
   66   1HG2  VAL   9          1HG2      VAL   9   2.228  -7.369   1.145
   67   2HG2  VAL   9          2HG2      VAL   9   0.897  -7.945   0.142
   68   3HG2  VAL   9          3HG2      VAL   9   0.602  -6.729   1.384
   69   1HN   PF5  10          H         PF5  10   3.518  -3.852  -1.076
   70    HA   PF5  10           HA       PF5  10   3.026  -3.459  -3.989
   71   1HB   PF5  10          1HB       PF5  10   2.784  -1.114  -3.486
   72   2HB   PF5  10          2HB       PF5  10   3.423  -1.349  -1.852
   73    H    GLY  11           H        GLY  11   5.586  -3.810  -1.775
   74   1HA   GLY  11          2HA       GLY  11   7.896  -3.881  -2.311
   75   2HA   GLY  11          1HA       GLY  11   7.512  -3.234  -3.906
   76    H    MET  12           H        MET  12   6.175  -1.546  -1.212
   77    HA   MET  12           HA       MET  12   8.444   0.329  -1.028
   78   1HB   MET  12          2HB       MET  12   6.774   2.256  -1.500
   79   2HB   MET  12          1HB       MET  12   7.410   1.364  -2.884
   80   1HG   MET  12          2HG       MET  12   5.395  -0.049  -2.918
   81   2HG   MET  12          1HG       MET  12   4.757   0.819  -1.520
   82   1HE   MET  12          1HE       MET  12   5.020   2.117  -5.875
   83   2HE   MET  12          2HE       MET  12   5.140   0.507  -5.172
   84   3HE   MET  12          3HE       MET  12   6.479   1.638  -4.999
   85    H    THR  13           H        THR  13   8.185   1.816   0.778
   86    HA   THR  13           HA       THR  13   6.784   0.625   3.010
   87    HB   THR  13           HB       THR  13   7.480   2.820   4.153
   88    HG1  THR  13           1HG      THR  13   7.599   4.009   2.192
   89   1HG2  THR  13          1HG2      THR  13   9.581   1.133   2.764
   90   2HG2  THR  13          2HG2      THR  13   8.809   0.760   4.307
   91   3HG2  THR  13          3HG2      THR  13   9.866   2.165   4.167
   92    H    ARG  14           H        ARG  14   5.037   1.626   4.230
   93    HA   ARG  14           HA       ARG  14   2.841   2.503   2.688
   94   1HB   ARG  14          2HB       ARG  14   3.425   3.021   5.619
   95   2HB   ARG  14          1HB       ARG  14   1.854   3.246   4.849
   96   1HG   ARG  14          2HG       ARG  14   2.006   0.805   4.118
   97   2HG   ARG  14          1HG       ARG  14   3.380   0.658   5.216
   98   1HD   ARG  14          2HD       ARG  14   1.439  -0.019   6.471
   99   2HD   ARG  14          1HD       ARG  14   1.881   1.581   7.049
  100    HE   ARG  14           HE       ARG  14   0.054   2.057   5.000
  101   1HH1  ARG  14          1HH2      ARG  14   0.141   0.165   7.889
  102   2HH1  ARG  14          2HH2      ARG  14  -1.553   0.338   8.207
  103   1HH2  ARG  14          1HH1      ARG  14  -2.157   2.282   5.403
  104   2HH2  ARG  14          2HH1      ARG  14  -2.850   1.535   6.803
  105    H    SER  15           H        SER  15   5.509   4.329   4.061
  106    HA   SER  15           HA       SER  15   4.314   6.929   3.951
  107   1HB   SER  15          2HB       SER  15   6.576   7.793   4.051
  108   2HB   SER  15          1HB       SER  15   6.495   6.367   5.083
  109    HG   SER  15           HG       SER  15   7.362   5.169   3.330
  110    H    ALA  16           H        ALA  16   6.192   5.078   1.556
  111    HA   ALA  16           HA       ALA  16   5.983   7.153  -0.472
  112   1HB   ALA  16          1HB       ALA  16   6.905   4.292  -0.418
  113   2HB   ALA  16          2HB       ALA  16   7.813   5.745  -0.836
  114   3HB   ALA  16          3HB       ALA  16   6.630   5.090  -1.967
  115    H    PHE  17           H        PHE  17   4.279   4.106   0.227
  116    HA   PHE  17           HA       PHE  17   2.592   4.079  -2.061
  117   1HB   PHE  17          2HB       PHE  17   2.877   2.259  -0.270
  118   2HB   PHE  17          1HB       PHE  17   1.721   3.180   0.691
  119    HD1  PHE  17           1HD      PHE  17   2.161   1.743  -2.745
  120    HD2  PHE  17           2HD      PHE  17  -0.573   2.820   0.390
  121    HE1  PHE  17           1HE      PHE  17   0.292   0.741  -4.030
  122    HE2  PHE  17           2HE      PHE  17  -2.441   1.818  -0.897
  123    HZ   PHE  17           HZ       PHE  17  -2.009   0.779  -3.106
  124    H    ALA  18           H        ALA  18   2.265   5.732   1.063
  125    HA   ALA  18           HA       ALA  18  -0.387   6.699   0.730
  126   1HB   ALA  18          1HB       ALA  18   1.862   8.243   2.041
  127   2HB   ALA  18          2HB       ALA  18   1.085   6.861   2.811
  128   3HB   ALA  18          3HB       ALA  18   0.144   8.302   2.429
  129    H    ASN  19           H        ASN  19   2.499   7.475  -0.948
  130    HA   ASN  19           HA       ASN  19   1.988  10.187  -1.676
  131   1HB   ASN  19          2HB       ASN  19   4.144   8.935  -2.045
  132   2HB   ASN  19          1HB       ASN  19   3.356   8.082  -3.373
  133   1HD2  ASN  19          1HD2      ASN  19   4.115  11.421  -2.259
  134   2HD2  ASN  19          2HD2      ASN  19   4.227  12.076  -3.821
  135    H    LEU  20           H        LEU  20   0.773   7.137  -2.978
  136    HA   LEU  20           HA       LEU  20  -0.347   8.230  -5.401
  137   1HB   LEU  20          2HB       LEU  20  -1.275   5.810  -3.824
  138   2HB   LEU  20          1HB       LEU  20  -1.599   6.141  -5.527
  139    HG   LEU  20           HG       LEU  20   1.177   5.802  -4.357
  140   1HD1  LEU  20          1HD1      LEU  20   0.182   3.660  -4.203
  141   2HD1  LEU  20          2HD1      LEU  20   1.028   3.629  -5.750
  142   3HD1  LEU  20          3HD1      LEU  20  -0.718   3.877  -5.703
  143   1HD2  LEU  20          1HD2      LEU  20   1.406   7.062  -6.328
  144   2HD2  LEU  20          2HD2      LEU  20   0.048   6.257  -7.113
  145   3HD2  LEU  20          3HD2      LEU  20   1.579   5.406  -6.913
  146    HA   PRO  21           HA       PRO  21  -3.940  10.492  -4.197
  147   1HB   PRO  21          2HB       PRO  21  -5.395   8.527  -5.956
  148   2HB   PRO  21          1HB       PRO  21  -5.555  10.295  -5.879
  149   1HG   PRO  21          2HG       PRO  21  -4.161   9.207  -7.819
  150   2HG   PRO  21          1HG       PRO  21  -3.548  10.652  -6.993
  151   1HD   PRO  21          2HD       PRO  21  -2.630   7.810  -6.736
  152   2HD   PRO  21          1HD       PRO  21  -1.685   9.312  -6.640
  153    H    LEU  22           H        LEU  22  -5.306  10.345  -2.463
  154    HA   LEU  22           HA       LEU  22  -5.405   8.106  -0.774
  155   1HB   LEU  22          2HB       LEU  22  -7.477  10.302  -1.034
  156   2HB   LEU  22          1HB       LEU  22  -7.259   9.252   0.365
  157    HG   LEU  22           HG       LEU  22  -5.177  11.162  -0.736
  158   1HD1  LEU  22          1HD1      LEU  22  -6.857  12.463   0.348
  159   2HD1  LEU  22          2HD1      LEU  22  -5.583  12.250   1.549
  160   3HD1  LEU  22          3HD1      LEU  22  -7.049  11.274   1.635
  161   1HD2  LEU  22          1HD2      LEU  22  -4.229  10.527   1.655
  162   2HD2  LEU  22          2HD2      LEU  22  -3.913   9.485   0.267
  163   3HD2  LEU  22          3HD2      LEU  22  -5.189   9.068   1.411
  164    H    TRP  23           H        TRP  23  -7.883   9.131  -3.150
  165    HA   TRP  23           HA       TRP  23  -9.672   6.965  -2.602
  166   1HB   TRP  23          2HB       TRP  23 -10.800   7.598  -4.626
  167   2HB   TRP  23          1HB       TRP  23 -10.207   9.084  -3.882
  168    HD1  TRP  23           HD       TRP  23  -8.490  10.497  -5.193
  169    HE1  TRP  23           1HE      TRP  23  -7.367  10.277  -7.503
  170    HE3  TRP  23           3HE      TRP  23  -9.877   5.733  -6.396
  171    HZ2  TRP  23           2HZ      TRP  23  -7.094   8.335  -9.586
  172    HZ3  TRP  23           3HZ      TRP  23  -9.173   4.723  -8.547
  173    HH2  TRP  23           HH       TRP  23  -7.785   6.017 -10.142
  174    H    ARG  24           H        ARG  24  -6.936   7.257  -4.841
  175    HA   ARG  24           HA       ARG  24  -7.429   4.798  -6.243
  176   1HB   ARG  24          2HB       ARG  24  -5.911   6.569  -7.084
  177   2HB   ARG  24          1HB       ARG  24  -4.790   6.211  -5.768
  178   1HG   ARG  24          2HG       ARG  24  -4.500   3.929  -6.583
  179   2HG   ARG  24          1HG       ARG  24  -5.700   4.199  -7.848
  180   1HD   ARG  24          2HD       ARG  24  -4.075   4.979  -9.189
  181   2HD   ARG  24          1HD       ARG  24  -3.794   6.297  -8.049
  182    HE   ARG  24           HE       ARG  24  -2.412   4.191  -6.925
  183   1HH1  ARG  24          1HH2      ARG  24  -2.575   5.649 -10.044
  184   2HH1  ARG  24          2HH2      ARG  24  -0.914   5.333 -10.426
  185   1HH2  ARG  24          1HH1      ARG  24  -0.241   3.771  -7.404
  186   2HH2  ARG  24          2HH1      ARG  24   0.407   4.271  -8.930
  187    H    GLN  25           H        GLN  25  -5.280   5.530  -3.465
  188    HA   GLN  25           HA       GLN  25  -4.129   3.004  -3.141
  189   1HB   GLN  25          2HB       GLN  25  -5.058   4.939  -1.004
  190   2HB   GLN  25          1HB       GLN  25  -4.027   3.542  -0.693
  191   1HG   GLN  25          2HG       GLN  25  -2.378   4.430  -2.344
  192   2HG   GLN  25          1HG       GLN  25  -3.385   5.865  -2.538
  193   1HE2  GLN  25          1HE2      GLN  25  -1.976   3.959   0.192
  194   2HE2  GLN  25          2HE2      GLN  25  -1.519   5.320   1.096
  195    H    GLN  26           H        GLN  26  -7.322   4.083  -1.923
  196    HA   GLN  26           HA       GLN  26  -7.997   1.601  -0.661
  197   1HB   GLN  26          2HB       GLN  26  -9.805   3.656  -1.972
  198   2HB   GLN  26          1HB       GLN  26 -10.358   2.348  -0.928
  199   1HG   GLN  26          2HG       GLN  26  -9.005   3.232   0.926
  200   2HG   GLN  26          1HG       GLN  26  -8.416   4.530  -0.114
  201   1HE2  GLN  26          1HE2      GLN  26  -9.843   5.159   2.264
  202   2HE2  GLN  26          2HE2      GLN  26 -11.350   5.817   1.842
  203    H    ASN  27           H        ASN  27  -8.238   2.757  -3.981
  204    HA   ASN  27           HA       ASN  27  -9.770   0.569  -5.031
  205   1HB   ASN  27          2HB       ASN  27  -9.229   2.817  -6.151
  206   2HB   ASN  27          1HB       ASN  27  -7.662   2.116  -6.554
  207   1HD2  ASN  27          1HD2      ASN  27  -8.547   2.431  -8.870
  208   2HD2  ASN  27          2HD2      ASN  27  -9.503   1.184  -9.515
  209    H    LEU  28           H        LEU  28  -6.237   1.167  -5.028
  210    HA   LEU  28           HA       LEU  28  -5.593  -1.442  -6.088
  211   1HB   LEU  28          2HB       LEU  28  -3.819   0.400  -4.459
  212   2HB   LEU  28          1HB       LEU  28  -3.293  -0.878  -5.553
  213    HG   LEU  28           HG       LEU  28  -4.762   1.661  -6.317
  214   1HD1  LEU  28          1HD1      LEU  28  -1.960   0.615  -6.820
  215   2HD1  LEU  28          2HD1      LEU  28  -2.411   2.057  -5.910
  216   3HD1  LEU  28          3HD1      LEU  28  -2.649   2.006  -7.657
  217   1HD2  LEU  28          1HD2      LEU  28  -4.100  -0.861  -7.828
  218   2HD2  LEU  28          2HD2      LEU  28  -4.184   0.683  -8.677
  219   3HD2  LEU  28          3HD2      LEU  28  -5.601   0.065  -7.827
  220    H    ARG  29           H        ARG  29  -6.034  -0.172  -2.825
  221    HA   ARG  29           HA       ARG  29  -4.854  -2.502  -1.544
  222   1HB   ARG  29          2HB       ARG  29  -6.507  -0.184  -0.539
  223   2HB   ARG  29          1HB       ARG  29  -6.006  -1.506   0.517
  224   1HG   ARG  29          2HG       ARG  29  -3.645  -1.090  -0.067
  225   2HG   ARG  29          1HG       ARG  29  -4.139   0.228  -1.129
  226   1HD   ARG  29          2HD       ARG  29  -4.659   0.110   1.857
  227   2HD   ARG  29          1HD       ARG  29  -3.399   1.067   1.083
  228    HE   ARG  29           HE       ARG  29  -5.726   1.872  -0.192
  229   1HH1  ARG  29          1HH2      ARG  29  -4.624   1.593   3.065
  230   2HH1  ARG  29          2HH2      ARG  29  -5.583   2.916   3.640
  231   1HH2  ARG  29          1HH1      ARG  29  -6.979   3.596   0.540
  232   2HH2  ARG  29          2HH1      ARG  29  -6.917   4.050   2.210
  233    H    ARG  30           H        ARG  30  -8.237  -1.409  -2.061
  234    HA   ARG  30           HA       ARG  30  -9.404  -3.708  -0.798
  235   1HB   ARG  30          2HB       ARG  30 -10.435  -1.764  -2.871
  236   2HB   ARG  30          1HB       ARG  30 -11.422  -3.098  -2.271
  237   1HG   ARG  30          2HG       ARG  30 -11.120  -2.279   0.041
  238   2HG   ARG  30          1HG       ARG  30 -10.141  -0.943  -0.564
  239   1HD   ARG  30          2HD       ARG  30 -13.042  -1.465  -1.274
  240   2HD   ARG  30          1HD       ARG  30 -12.461  -0.211  -0.180
  241    HE   ARG  30           HE       ARG  30 -11.084   0.276  -2.536
  242   1HH1  ARG  30          1HH2      ARG  30 -14.379  -0.155  -1.611
  243   2HH1  ARG  30          2HH2      ARG  30 -14.998   0.897  -2.840
  244   1HH2  ARG  30          1HH1      ARG  30 -11.873   1.649  -4.142
  245   2HH2  ARG  30          2HH1      ARG  30 -13.579   1.919  -4.273
  246    H    GLU  31           H        GLU  31  -8.484  -3.034  -4.170
  247    HA   GLU  31           HA       GLU  31  -9.450  -5.484  -5.289
  248   1HB   GLU  31          2HB       GLU  31  -8.616  -3.456  -6.572
  249   2HB   GLU  31          1HB       GLU  31  -6.976  -3.965  -6.170
  250   1HG   GLU  31          2HG       GLU  31  -7.419  -6.159  -7.256
  251   2HG   GLU  31          1HG       GLU  31  -9.023  -5.584  -7.713
  252    H    ARG  32           H        ARG  32  -6.793  -4.779  -3.210
  253    HA   ARG  32           HA       ARG  32  -5.332  -7.240  -3.921
  254   1HB   ARG  32          2HB       ARG  32  -4.292  -4.961  -3.234
  255   2HB   ARG  32          1HB       ARG  32  -4.689  -5.453  -1.586
  256   1HG   ARG  32          2HG       ARG  32  -2.575  -6.369  -1.754
  257   2HG   ARG  32          1HG       ARG  32  -3.528  -7.719  -2.371
  258   1HD   ARG  32          2HD       ARG  32  -3.199  -6.759  -4.694
  259   2HD   ARG  32          1HD       ARG  32  -2.049  -5.627  -3.986
  260    HE   ARG  32           HE       ARG  32  -1.159  -8.110  -3.127
  261   1HH1  ARG  32          1HH2      ARG  32  -1.969  -6.643  -6.139
  262   2HH1  ARG  32          2HH2      ARG  32  -0.822  -7.567  -7.050
  263   1HH2  ARG  32          1HH1      ARG  32   0.344  -9.324  -4.297
  264   2HH2  ARG  32          2HH1      ARG  32   0.488  -9.085  -6.006
  265    H    GLY  33           H        GLY  33  -7.942  -6.482  -1.927
  266   1HA   GLY  33          2HA       GLY  33  -9.072  -8.149  -0.594
  267   2HA   GLY  33          1HA       GLY  33  -7.548  -9.025  -0.451
  268    H    LEU  34           H        LEU  34  -6.863  -5.815   0.064
  269    HA   LEU  34           HA       LEU  34  -7.065  -6.205   3.022
  270   1HB   LEU  34          2HB       LEU  34  -5.230  -4.291   1.561
  271   2HB   LEU  34          1HB       LEU  34  -5.144  -4.783   3.252
  272    HG   LEU  34           HG       LEU  34  -4.760  -6.624   0.872
  273   1HD1  LEU  34          1HD1      LEU  34  -2.754  -5.570   2.891
  274   2HD1  LEU  34          2HD1      LEU  34  -2.903  -4.997   1.229
  275   3HD1  LEU  34          3HD1      LEU  34  -2.409  -6.660   1.549
  276   1HD2  LEU  34          1HD2      LEU  34  -4.782  -7.019   3.863
  277   2HD2  LEU  34          2HD2      LEU  34  -3.858  -8.100   2.819
  278   3HD2  LEU  34          3HD2      LEU  34  -5.606  -7.963   2.622
  279    H    PHE  35           H        PHE  35  -7.501  -4.212   4.289
  280    HA   PHE  35           HA       PHE  35  -8.909  -2.387   4.744
  281   1HB   PHE  35          2HB       PHE  35  -7.796  -1.658   2.024
  282   2HB   PHE  35          1HB       PHE  35  -8.795  -0.561   2.978
  283    HD1  PHE  35           1HD      PHE  35  -5.560  -2.337   2.809
  284    HD2  PHE  35           2HD      PHE  35  -7.961   0.458   5.017
  285    HE1  PHE  35           1HE      PHE  35  -3.569  -1.670   4.130
  286    HE2  PHE  35           2HE      PHE  35  -5.972   1.124   6.339
  287    HZ   PHE  35           HZ       PHE  35  -3.776   0.060   5.896
  Start of MODEL    2
    1   1H    LEU   1          1HT       LEU   1  -0.316  -0.567   9.725
    2   2H    LEU   1          2HT       LEU   1   1.095  -1.446  10.072
    3   3H    LEU   1          3HT       LEU   1   0.133  -0.845  11.337
    4    HA   LEU   1           HA       LEU   1  -1.073  -2.683  11.364
    5   1HB   LEU   1          2HB       LEU   1  -2.337  -1.473   9.520
    6   2HB   LEU   1          1HB       LEU   1  -1.407  -2.428   8.366
    7    HG   LEU   1           HG       LEU   1  -2.214  -4.458   9.834
    8   1HD1  LEU   1          1HD1      LEU   1  -3.256  -3.149  11.604
    9   2HD1  LEU   1          2HD1      LEU   1  -4.512  -4.026  10.729
   10   3HD1  LEU   1          3HD1      LEU   1  -4.266  -2.305  10.429
   11   1HD2  LEU   1          1HD2      LEU   1  -4.203  -4.662   8.381
   12   2HD2  LEU   1          2HD2      LEU   1  -2.814  -4.070   7.468
   13   3HD2  LEU   1          3HD2      LEU   1  -4.080  -2.950   7.972
   14    H    SER   2           H        SER   2   0.608  -2.902   8.203
   15    HA   SER   2           HA       SER   2   2.149  -5.205   9.244
   16   1HB   SER   2          2HB       SER   2   0.694  -5.497   6.622
   17   2HB   SER   2          1HB       SER   2   1.413  -6.752   7.627
   18    HG   SER   2           HG       SER   2  -0.628  -6.915   8.222
   19    H    ASP   3           H        ASP   3   3.657  -3.229   8.930
   20    HA   ASP   3           HA       ASP   3   4.332  -2.279   6.333
   21   1HB   ASP   3          2HB       ASP   3   6.440  -1.558   7.327
   22   2HB   ASP   3          1HB       ASP   3   5.137  -1.269   8.480
   23    H    GLU   4           H        GLU   4   5.301  -5.169   8.110
   24    HA   GLU   4           HA       GLU   4   7.380  -5.990   6.294
   25   1HB   GLU   4          2HB       GLU   4   6.930  -6.900   8.643
   26   2HB   GLU   4          1HB       GLU   4   5.622  -7.838   7.922
   27   1HG   GLU   4          2HG       GLU   4   7.259  -8.829   6.322
   28   2HG   GLU   4          1HG       GLU   4   8.552  -7.962   7.153
   29    H    ASP   5           H        ASP   5   3.932  -6.881   6.568
   30    HA   ASP   5           HA       ASP   5   3.993  -8.459   4.121
   31   1HB   ASP   5          2HB       ASP   5   2.355  -8.689   6.107
   32   2HB   ASP   5          1HB       ASP   5   1.513  -7.306   5.406
   33    H    PHE   6           H        PHE   6   2.550  -5.304   4.997
   34    HA   PHE   6           HA       PHE   6   1.579  -4.560   2.473
   35   1HB   PHE   6          2HB       PHE   6   1.195  -3.228   4.507
   36   2HB   PHE   6          1HB       PHE   6   2.903  -2.787   4.549
   37    HD1  PHE   6           1HD      PHE   6  -0.339  -2.097   3.075
   38    HD2  PHE   6           2HD      PHE   6   3.885  -1.444   2.651
   39    HE1  PHE   6           1HE      PHE   6  -0.785  -0.210   1.527
   40    HE2  PHE   6           2HE      PHE   6   3.439   0.443   1.104
   41    HZ   PHE   6           HZ       PHE   6   1.103   1.059   0.542
   42    H    ARG   7           H        ARG   7   4.775  -3.633   3.808
   43    HA   ARG   7           HA       ARG   7   5.830  -2.440   1.507
   44   1HB   ARG   7          2HB       ARG   7   6.938  -2.508   3.750
   45   2HB   ARG   7          1HB       ARG   7   7.372  -4.191   3.447
   46   1HG   ARG   7          2HG       ARG   7   8.604  -3.490   1.411
   47   2HG   ARG   7          1HG       ARG   7   8.207  -1.809   1.765
   48   1HD   ARG   7          2HD       ARG   7   9.776  -3.655   3.587
   49   2HD   ARG   7          1HD       ARG   7  10.472  -2.393   2.575
   50    HE   ARG   7           HE       ARG   7   8.574  -1.061   4.101
   51   1HH1  ARG   7          1HH2      ARG   7  11.250  -3.151   4.697
   52   2HH1  ARG   7          2HH2      ARG   7  11.627  -2.446   6.233
   53   1HH2  ARG   7          1HH1      ARG   7   9.052  -0.129   6.099
   54   2HH2  ARG   7          2HH1      ARG   7  10.383  -0.735   7.028
   55    H    ALA   8           H        ALA   8   5.632  -5.887   2.299
   56    HA   ALA   8           HA       ALA   8   7.218  -6.790   0.068
   57   1HB   ALA   8          1HB       ALA   8   6.645  -8.150   2.111
   58   2HB   ALA   8          2HB       ALA   8   6.353  -8.990   0.588
   59   3HB   ALA   8          3HB       ALA   8   5.003  -8.295   1.488
   60    H    VAL   9           H        VAL   9   3.839  -5.888   0.417
   61    HA   VAL   9           HA       VAL   9   2.905  -7.190  -1.973
   62    HB   VAL   9           HB       VAL   9   1.820  -4.820  -0.432
   63   1HG1  VAL   9          1HG1      VAL   9   0.710  -6.384  -2.773
   64   2HG1  VAL   9          2HG1      VAL   9   0.933  -4.639  -2.647
   65   3HG1  VAL   9          3HG1      VAL   9  -0.314  -5.440  -1.691
   66   1HG2  VAL   9          1HG2      VAL   9   0.370  -6.402   0.599
   67   2HG2  VAL   9          2HG2      VAL   9   1.958  -7.171   0.616
   68   3HG2  VAL   9          3HG2      VAL   9   0.759  -7.649  -0.587
   69   1HN   PF5  10          H         PF5  10   3.885  -3.779  -1.384
   70    HA   PF5  10           HA       PF5  10   3.862  -3.411  -4.341
   71   1HB   PF5  10          1HB       PF5  10   3.747  -1.040  -3.900
   72   2HB   PF5  10          2HB       PF5  10   4.100  -1.295  -2.186
   73    H    GLY  11           H        GLY  11   6.007  -3.564  -1.606
   74   1HA   GLY  11          2HA       GLY  11   8.368  -3.977  -1.870
   75   2HA   GLY  11          1HA       GLY  11   8.282  -3.275  -3.485
   76    H    MET  12           H        MET  12   6.595  -1.423  -1.195
   77    HA   MET  12           HA       MET  12   8.967   0.228  -0.528
   78   1HB   MET  12          2HB       MET  12   7.610   2.288  -1.227
   79   2HB   MET  12          1HB       MET  12   8.271   1.309  -2.538
   80   1HG   MET  12          2HG       MET  12   5.527   0.686  -1.494
   81   2HG   MET  12          1HG       MET  12   5.740   2.046  -2.597
   82   1HE   MET  12          1HE       MET  12   5.616   1.625  -5.279
   83   2HE   MET  12          2HE       MET  12   7.032   0.714  -5.794
   84   3HE   MET  12          3HE       MET  12   7.196   1.959  -4.559
   85    H    THR  13           H        THR  13   8.365   1.934   1.111
   86    HA   THR  13           HA       THR  13   6.662   0.747   3.156
   87    HB   THR  13           HB       THR  13   7.222   2.945   4.363
   88    HG1  THR  13           1HG      THR  13   7.758   3.804   2.094
   89   1HG2  THR  13          1HG2      THR  13   9.502   2.222   4.830
   90   2HG2  THR  13          2HG2      THR  13   9.536   1.278   3.340
   91   3HG2  THR  13          3HG2      THR  13   8.466   0.805   4.660
   92    H    ARG  14           H        ARG  14   4.788   1.835   4.105
   93    HA   ARG  14           HA       ARG  14   2.852   2.700   2.243
   94   1HB   ARG  14          2HB       ARG  14   3.046   3.284   5.212
   95   2HB   ARG  14          1HB       ARG  14   1.607   3.565   4.232
   96   1HG   ARG  14          2HG       ARG  14   1.628   1.138   3.601
   97   2HG   ARG  14          1HG       ARG  14   2.961   0.898   4.731
   98   1HD   ARG  14          2HD       ARG  14   0.206   1.944   5.460
   99   2HD   ARG  14          1HD       ARG  14   0.817   0.332   5.806
  100    HE   ARG  14           HE       ARG  14   2.697   2.034   6.945
  101   1HH1  ARG  14          1HH2      ARG  14  -0.733   1.652   7.103
  102   2HH1  ARG  14          2HH2      ARG  14  -0.843   2.162   8.755
  103   1HH2  ARG  14          1HH1      ARG  14   2.563   2.707   9.096
  104   2HH2  ARG  14          2HH1      ARG  14   1.020   2.757   9.881
  105    H    SER  15           H        SER  15   5.362   4.515   3.892
  106    HA   SER  15           HA       SER  15   4.312   7.136   3.660
  107   1HB   SER  15          2HB       SER  15   7.208   6.328   3.265
  108   2HB   SER  15          1HB       SER  15   6.615   7.916   3.744
  109    HG   SER  15           HG       SER  15   6.049   5.557   5.204
  110    H    ALA  16           H        ALA  16   6.181   5.214   1.310
  111    HA   ALA  16           HA       ALA  16   6.045   7.282  -0.734
  112   1HB   ALA  16          1HB       ALA  16   7.877   5.811  -0.974
  113   2HB   ALA  16          2HB       ALA  16   6.749   5.272  -2.218
  114   3HB   ALA  16          3HB       ALA  16   6.878   4.384  -0.700
  115    H    PHE  17           H        PHE  17   4.365   4.183  -0.161
  116    HA   PHE  17           HA       PHE  17   2.695   4.226  -2.450
  117   1HB   PHE  17          2HB       PHE  17   2.973   2.364  -0.689
  118   2HB   PHE  17          1HB       PHE  17   1.772   3.246   0.256
  119    HD1  PHE  17           1HD      PHE  17   2.363   1.774  -3.133
  120    HD2  PHE  17           2HD      PHE  17  -0.524   2.977  -0.188
  121    HE1  PHE  17           1HE      PHE  17   0.551   0.773  -4.499
  122    HE2  PHE  17           2HE      PHE  17  -2.335   1.977  -1.554
  123    HZ   PHE  17           HZ       PHE  17  -1.797   0.874  -3.710
  124    H    ALA  18           H        ALA  18   2.382   5.861   0.670
  125    HA   ALA  18           HA       ALA  18  -0.291   6.768   0.437
  126   1HB   ALA  18          1HB       ALA  18   0.492   8.693   1.876
  127   2HB   ALA  18          2HB       ALA  18   2.136   8.085   1.688
  128   3HB   ALA  18          3HB       ALA  18   0.920   7.103   2.504
  129    H    ASN  19           H        ASN  19   2.501   7.594  -1.388
  130    HA   ASN  19           HA       ASN  19   1.924  10.253  -2.177
  131   1HB   ASN  19          2HB       ASN  19   4.009   8.889  -2.707
  132   2HB   ASN  19          1HB       ASN  19   3.076   8.126  -3.994
  133   1HD2  ASN  19          1HD2      ASN  19   3.786   9.089  -5.914
  134   2HD2  ASN  19          2HD2      ASN  19   3.928  10.764  -6.157
  135    H    LEU  20           H        LEU  20   0.643   7.174  -3.390
  136    HA   LEU  20           HA       LEU  20  -0.731   8.229  -5.673
  137   1HB   LEU  20          2HB       LEU  20  -1.539   5.867  -3.949
  138   2HB   LEU  20          1HB       LEU  20  -2.015   6.158  -5.622
  139    HG   LEU  20           HG       LEU  20   0.831   5.736  -4.665
  140   1HD1  LEU  20          1HD1      LEU  20  -1.209   3.943  -5.982
  141   2HD1  LEU  20          2HD1      LEU  20  -0.243   3.626  -4.540
  142   3HD1  LEU  20          3HD1      LEU  20   0.521   3.633  -6.130
  143   1HD2  LEU  20          1HD2      LEU  20  -0.432   6.388  -7.314
  144   2HD2  LEU  20          2HD2      LEU  20   1.040   5.419  -7.271
  145   3HD2  LEU  20          3HD2      LEU  20   1.036   7.046  -6.591
  146    HA   PRO  21           HA       PRO  21  -4.167  10.590  -4.222
  147   1HB   PRO  21          2HB       PRO  21  -5.803   8.533  -5.695
  148   2HB   PRO  21          1HB       PRO  21  -5.972  10.302  -5.686
  149   1HG   PRO  21          2HG       PRO  21  -4.790   9.115  -7.715
  150   2HG   PRO  21          1HG       PRO  21  -4.118  10.615  -7.045
  151   1HD   PRO  21          2HD       PRO  21  -3.104   7.815  -6.765
  152   2HD   PRO  21          1HD       PRO  21  -2.198   9.343  -6.803
  153    H    LEU  22           H        LEU  22  -5.509  10.556  -2.432
  154    HA   LEU  22           HA       LEU  22  -5.318   8.463  -0.545
  155   1HB   LEU  22          2HB       LEU  22  -5.948  10.832  -0.050
  156   2HB   LEU  22          1HB       LEU  22  -7.540  10.516  -0.740
  157    HG   LEU  22           HG       LEU  22  -7.776   8.620   0.923
  158   1HD1  LEU  22          1HD1      LEU  22  -5.618   8.096   1.646
  159   2HD1  LEU  22          2HD1      LEU  22  -6.207   9.082   2.984
  160   3HD1  LEU  22          3HD1      LEU  22  -5.141   9.790   1.770
  161   1HD2  LEU  22          1HD2      LEU  22  -7.422  11.473   1.881
  162   2HD2  LEU  22          2HD2      LEU  22  -8.136  10.205   2.878
  163   3HD2  LEU  22          3HD2      LEU  22  -8.918  10.690   1.373
  164    H    TRP  23           H        TRP  23  -7.857   9.084  -2.957
  165    HA   TRP  23           HA       TRP  23  -9.549   6.935  -1.945
  166   1HB   TRP  23          2HB       TRP  23 -10.976   7.428  -3.836
  167   2HB   TRP  23          1HB       TRP  23 -10.418   8.956  -3.156
  168    HD1  TRP  23           HD       TRP  23  -9.004  10.509  -4.655
  169    HE1  TRP  23           1HE      TRP  23  -8.157  10.380  -7.087
  170    HE3  TRP  23           3HE      TRP  23 -10.117   5.641  -5.721
  171    HZ2  TRP  23           2HZ      TRP  23  -7.976   8.465  -9.204
  172    HZ3  TRP  23           3HZ      TRP  23  -9.599   4.691  -7.949
  173    HH2  TRP  23           HH       TRP  23  -8.530   6.095  -9.691
  174    H    ARG  24           H        ARG  24  -7.049   7.227  -4.400
  175    HA   ARG  24           HA       ARG  24  -7.700   4.784  -5.796
  176   1HB   ARG  24          2HB       ARG  24  -6.299   6.600  -6.769
  177   2HB   ARG  24          1HB       ARG  24  -5.027   6.200  -5.613
  178   1HG   ARG  24          2HG       ARG  24  -4.863   3.937  -6.519
  179   2HG   ARG  24          1HG       ARG  24  -6.201   4.256  -7.623
  180   1HD   ARG  24          2HD       ARG  24  -4.696   4.996  -9.123
  181   2HD   ARG  24          1HD       ARG  24  -4.371   6.354  -8.040
  182    HE   ARG  24           HE       ARG  24  -2.804   4.341  -6.998
  183   1HH1  ARG  24          1HH2      ARG  24  -3.311   5.690 -10.129
  184   2HH1  ARG  24          2HH2      ARG  24  -1.682   5.427 -10.654
  185   1HH2  ARG  24          1HH1      ARG  24  -0.671   3.992  -7.664
  186   2HH2  ARG  24          2HH1      ARG  24  -0.186   4.466  -9.258
  187    H    GLN  25           H        GLN  25  -5.268   5.525  -3.266
  188    HA   GLN  25           HA       GLN  25  -4.022   3.035  -3.110
  189   1HB   GLN  25          2HB       GLN  25  -3.810   3.536  -0.606
  190   2HB   GLN  25          1HB       GLN  25  -3.186   4.761  -1.711
  191   1HG   GLN  25          2HG       GLN  25  -5.279   6.042  -1.501
  192   2HG   GLN  25          1HG       GLN  25  -5.933   4.811  -0.420
  193   1HE2  GLN  25          1HE2      GLN  25  -3.429   7.329  -0.689
  194   2HE2  GLN  25          2HE2      GLN  25  -3.133   7.450   0.978
  195    H    GLN  26           H        GLN  26  -7.132   3.972  -1.607
  196    HA   GLN  26           HA       GLN  26  -7.572   1.430  -0.330
  197   1HB   GLN  26          2HB       GLN  26  -9.546   3.508  -1.326
  198   2HB   GLN  26          1HB       GLN  26  -9.984   2.116  -0.335
  199   1HG   GLN  26          2HG       GLN  26  -8.449   2.891   1.437
  200   2HG   GLN  26          1HG       GLN  26  -8.018   4.288   0.449
  201   1HE2  GLN  26          1HE2      GLN  26  -9.178   4.722   2.987
  202   2HE2  GLN  26          2HE2      GLN  26 -10.752   5.328   2.789
  203    H    ASN  27           H        ASN  27  -8.218   2.691  -3.554
  204    HA   ASN  27           HA       ASN  27  -9.828   0.518  -4.505
  205   1HB   ASN  27          2HB       ASN  27  -9.450   2.795  -5.611
  206   2HB   ASN  27          1HB       ASN  27  -7.909   2.154  -6.181
  207   1HD2  ASN  27          1HD2      ASN  27  -8.891   2.424  -8.415
  208   2HD2  ASN  27          2HD2      ASN  27  -9.922   1.208  -9.000
  209    H    LEU  28           H        LEU  28  -6.324   1.158  -4.907
  210    HA   LEU  28           HA       LEU  28  -5.779  -1.406  -6.107
  211   1HB   LEU  28          2HB       LEU  28  -3.868   0.419  -4.619
  212   2HB   LEU  28          1HB       LEU  28  -3.431  -0.843  -5.769
  213    HG   LEU  28           HG       LEU  28  -5.041   1.651  -6.393
  214   1HD1  LEU  28          1HD1      LEU  28  -2.646   2.091  -6.064
  215   2HD1  LEU  28          2HD1      LEU  28  -3.057   2.219  -7.775
  216   3HD1  LEU  28          3HD1      LEU  28  -2.240   0.778  -7.170
  217   1HD2  LEU  28          1HD2      LEU  28  -5.871   0.042  -7.885
  218   2HD2  LEU  28          2HD2      LEU  28  -4.334  -0.819  -7.962
  219   3HD2  LEU  28          3HD2      LEU  28  -4.522   0.723  -8.793
  220    H    ARG  29           H        ARG  29  -5.814  -0.245  -2.765
  221    HA   ARG  29           HA       ARG  29  -4.514  -2.623  -1.717
  222   1HB   ARG  29          2HB       ARG  29  -6.038  -0.351  -0.440
  223   2HB   ARG  29          1HB       ARG  29  -5.411  -1.705   0.500
  224   1HG   ARG  29          2HG       ARG  29  -3.140  -1.248  -0.307
  225   2HG   ARG  29          1HG       ARG  29  -3.746   0.069  -1.312
  226   1HD   ARG  29          2HD       ARG  29  -3.896  -0.064   1.715
  227   2HD   ARG  29          1HD       ARG  29  -2.803   0.953   0.778
  228    HE   ARG  29           HE       ARG  29  -5.320   1.644  -0.156
  229   1HH1  ARG  29          1HH2      ARG  29  -3.763   1.423   2.915
  230   2HH1  ARG  29          2HH2      ARG  29  -4.692   2.700   3.625
  231   1HH2  ARG  29          1HH1      ARG  29  -6.540   3.309   0.753
  232   2HH2  ARG  29          2HH1      ARG  29  -6.266   3.767   2.399
  233    H    ARG  30           H        ARG  30  -7.923  -1.562  -1.971
  234    HA   ARG  30           HA       ARG  30  -8.954  -3.863  -0.567
  235   1HB   ARG  30          2HB       ARG  30 -10.185  -1.876  -2.482
  236   2HB   ARG  30          1HB       ARG  30 -11.110  -3.237  -1.845
  237   1HG   ARG  30          2HG       ARG  30 -10.645  -2.501   0.453
  238   2HG   ARG  30          1HG       ARG  30  -9.672  -1.165  -0.161
  239   1HD   ARG  30          2HD       ARG  30 -12.621  -1.577  -0.737
  240   2HD   ARG  30          1HD       ARG  30 -11.967  -0.430   0.430
  241    HE   ARG  30           HE       ARG  30 -10.680   0.230  -1.932
  242   1HH1  ARG  30          1HH2      ARG  30 -13.943  -0.229  -0.914
  243   2HH1  ARG  30          2HH2      ARG  30 -14.591   0.930  -2.026
  244   1HH2  ARG  30          1HH1      ARG  30 -11.507   1.742  -3.387
  245   2HH2  ARG  30          2HH1      ARG  30 -13.211   2.046  -3.427
  246    H    GLU  31           H        GLU  31  -8.150  -3.208  -3.943
  247    HA   GLU  31           HA       GLU  31  -9.374  -5.511  -5.108
  248   1HB   GLU  31          2HB       GLU  31  -6.970  -3.838  -5.858
  249   2HB   GLU  31          1HB       GLU  31  -7.450  -5.236  -6.821
  250   1HG   GLU  31          2HG       GLU  31  -9.341  -2.978  -6.114
  251   2HG   GLU  31          1HG       GLU  31  -8.408  -3.031  -7.611
  252    H    ARG  32           H        ARG  32  -6.567  -5.123  -3.112
  253    HA   ARG  32           HA       ARG  32  -5.664  -7.889  -3.760
  254   1HB   ARG  32          2HB       ARG  32  -4.267  -5.667  -2.242
  255   2HB   ARG  32          1HB       ARG  32  -3.579  -7.254  -2.592
  256   1HG   ARG  32          2HG       ARG  32  -4.133  -6.697  -5.071
  257   2HG   ARG  32          1HG       ARG  32  -4.253  -5.030  -4.508
  258   1HD   ARG  32          2HD       ARG  32  -1.989  -5.275  -5.185
  259   2HD   ARG  32          1HD       ARG  32  -1.949  -5.408  -3.428
  260    HE   ARG  32           HE       ARG  32  -2.219  -8.026  -4.238
  261   1HH1  ARG  32          1HH2      ARG  32  -0.147  -5.401  -5.074
  262   2HH1  ARG  32          2HH2      ARG  32   1.208  -6.413  -5.445
  263   1HH2  ARG  32          1HH1      ARG  32  -0.462  -9.364  -4.717
  264   2HH2  ARG  32          2HH1      ARG  32   1.030  -8.658  -5.243
  265    H    GLY  33           H        GLY  33  -7.662  -6.393  -1.571
  266   1HA   GLY  33          2HA       GLY  33  -8.628  -7.257   0.401
  267   2HA   GLY  33          1HA       GLY  33  -7.636  -8.701   0.186
  268    H    LEU  34           H        LEU  34  -6.994  -5.231   0.866
  269    HA   LEU  34           HA       LEU  34  -5.372  -6.138   3.205
  270   1HB   LEU  34          2HB       LEU  34  -4.580  -3.991   1.213
  271   2HB   LEU  34          1HB       LEU  34  -3.681  -4.424   2.668
  272    HG   LEU  34           HG       LEU  34  -4.334  -6.407   0.475
  273   1HD1  LEU  34          1HD1      LEU  34  -1.913  -4.640   0.894
  274   2HD1  LEU  34          2HD1      LEU  34  -2.912  -4.778  -0.552
  275   3HD1  LEU  34          3HD1      LEU  34  -1.860  -6.111  -0.078
  276   1HD2  LEU  34          1HD2      LEU  34  -2.249  -7.475   1.643
  277   2HD2  LEU  34          2HD2      LEU  34  -3.822  -7.606   2.431
  278   3HD2  LEU  34          3HD2      LEU  34  -2.658  -6.399   2.978
  279    H    PHE  35           H        PHE  35  -7.495  -3.796   1.744
  280    HA   PHE  35           HA       PHE  35  -8.116  -2.706   4.399
  281   1HB   PHE  35          2HB       PHE  35  -6.811  -1.048   2.232
  282   2HB   PHE  35          1HB       PHE  35  -7.755  -0.325   3.534
  283    HD1  PHE  35           1HD      PHE  35  -4.655  -2.089   2.659
  284    HD2  PHE  35           2HD      PHE  35  -6.999  -0.462   5.871
  285    HE1  PHE  35           1HE      PHE  35  -2.693  -2.243   4.169
  286    HE2  PHE  35           2HE      PHE  35  -5.038  -0.616   7.381
  287    HZ   PHE  35           HZ       PHE  35  -2.885  -1.506   6.530
  Start of MODEL    3
    1   1H    LEU   1          1HT       LEU   1   1.345  -1.111  10.733
    2   2H    LEU   1          2HT       LEU   1  -0.060  -0.918  11.669
    3   3H    LEU   1          3HT       LEU   1  -0.013  -0.340  10.072
    4    HA   LEU   1           HA       LEU   1  -0.745  -2.903  11.012
    5   1HB   LEU   1          2HB       LEU   1  -0.700  -1.438   8.372
    6   2HB   LEU   1          1HB       LEU   1  -1.254  -3.109   8.486
    7    HG   LEU   1           HG       LEU   1  -2.872  -2.393  10.262
    8   1HD1  LEU   1          1HD1      LEU   1  -3.315   0.158  10.217
    9   2HD1  LEU   1          2HD1      LEU   1  -1.690   0.290   9.547
   10   3HD1  LEU   1          3HD1      LEU   1  -1.930  -0.413  11.146
   11   1HD2  LEU   1          1HD2      LEU   1  -2.985  -1.132   7.513
   12   2HD2  LEU   1          2HD2      LEU   1  -4.342  -1.061   8.638
   13   3HD2  LEU   1          3HD2      LEU   1  -3.760  -2.621   8.055
   14    H    SER   2           H        SER   2  -0.206  -4.519   8.789
   15    HA   SER   2           HA       SER   2   2.351  -5.595   9.458
   16   1HB   SER   2          2HB       SER   2   1.023  -6.041   6.789
   17   2HB   SER   2          1HB       SER   2   1.978  -7.172   7.743
   18    HG   SER   2           HG       SER   2   0.227  -7.710   8.761
   19    H    ASP   3           H        ASP   3   3.535  -3.439   9.291
   20    HA   ASP   3           HA       ASP   3   4.031  -2.193   6.771
   21   1HB   ASP   3          2HB       ASP   3   5.816  -2.390   9.217
   22   2HB   ASP   3          1HB       ASP   3   6.075  -1.286   7.865
   23    H    GLU   4           H        GLU   4   5.452  -5.001   8.355
   24    HA   GLU   4           HA       GLU   4   7.662  -5.303   6.518
   25   1HB   GLU   4          2HB       GLU   4   7.415  -6.409   8.807
   26   2HB   GLU   4          1HB       GLU   4   6.286  -7.527   8.042
   27   1HG   GLU   4          2HG       GLU   4   8.052  -8.122   6.385
   28   2HG   GLU   4          1HG       GLU   4   9.181  -7.084   7.258
   29    H    ASP   5           H        ASP   5   4.488  -6.937   6.756
   30    HA   ASP   5           HA       ASP   5   4.801  -8.350   4.259
   31   1HB   ASP   5          2HB       ASP   5   3.175  -8.860   6.205
   32   2HB   ASP   5          1HB       ASP   5   2.147  -7.614   5.497
   33    H    PHE   6           H        PHE   6   3.226  -5.303   5.184
   34    HA   PHE   6           HA       PHE   6   1.963  -4.652   2.762
   35   1HB   PHE   6          2HB       PHE   6   1.747  -3.282   4.793
   36   2HB   PHE   6          1HB       PHE   6   3.436  -2.796   4.657
   37    HD1  PHE   6           1HD      PHE   6   0.046  -2.336   3.363
   38    HD2  PHE   6           2HD      PHE   6   4.189  -1.356   2.782
   39    HE1  PHE   6           1HE      PHE   6  -0.603  -0.497   1.833
   40    HE2  PHE   6           2HE      PHE   6   3.538   0.483   1.251
   41    HZ   PHE   6           HZ       PHE   6   1.142   0.914   0.777
   42    H    ARG   7           H        ARG   7   5.250  -3.601   3.735
   43    HA   ARG   7           HA       ARG   7   6.023  -2.430   1.316
   44   1HB   ARG   7          2HB       ARG   7   7.391  -2.361   3.369
   45   2HB   ARG   7          1HB       ARG   7   7.761  -4.075   3.182
   46   1HG   ARG   7          2HG       ARG   7   8.936  -3.673   1.117
   47   2HG   ARG   7          1HG       ARG   7   8.392  -1.996   1.074
   48   1HD   ARG   7          2HD       ARG   7  10.665  -1.998   1.886
   49   2HD   ARG   7          1HD       ARG   7   9.613  -1.630   3.250
   50    HE   ARG   7           HE       ARG   7   9.901  -4.390   3.344
   51   1HH1  ARG   7          1HH2      ARG   7  11.994  -1.654   3.220
   52   2HH1  ARG   7          2HH2      ARG   7  13.264  -2.421   4.113
   53   1HH2  ARG   7          1HH1      ARG   7  11.545  -5.405   4.509
   54   2HH2  ARG   7          2HH1      ARG   7  13.010  -4.544   4.844
   55    H    ALA   8           H        ALA   8   5.994  -5.863   2.179
   56    HA   ALA   8           HA       ALA   8   7.369  -6.769  -0.188
   57   1HB   ALA   8          1HB       ALA   8   6.485  -8.987   0.424
   58   2HB   ALA   8          2HB       ALA   8   5.397  -8.237   1.592
   59   3HB   ALA   8          3HB       ALA   8   7.142  -8.163   1.838
   60    H    VAL   9           H        VAL   9   4.019  -5.954   0.497
   61    HA   VAL   9           HA       VAL   9   2.927  -7.308  -1.816
   62    HB   VAL   9           HB       VAL   9   1.826  -5.076  -0.093
   63   1HG1  VAL   9          1HG1      VAL   9   0.618  -6.670  -2.362
   64   2HG1  VAL   9          2HG1      VAL   9   0.683  -4.917  -2.181
   65   3HG1  VAL   9          3HG1      VAL   9  -0.373  -5.872  -1.141
   66   1HG2  VAL   9          1HG2      VAL   9   0.615  -6.803   1.026
   67   2HG2  VAL   9          2HG2      VAL   9   2.264  -7.413   0.883
   68   3HG2  VAL   9          3HG2      VAL   9   1.012  -7.989  -0.218
   69   1HN   PF5  10          H         PF5  10   3.606  -3.826  -1.195
   70    HA   PF5  10           HA       PF5  10   3.281  -3.385  -4.121
   71   1HB   PF5  10          1HB       PF5  10   2.999  -1.049  -3.584
   72   2HB   PF5  10          2HB       PF5  10   3.546  -1.318  -1.923
   73    H    GLY  11           H        GLY  11   5.731  -3.772  -1.796
   74   1HA   GLY  11          2HA       GLY  11   8.065  -3.814  -2.228
   75   2HA   GLY  11          1HA       GLY  11   7.753  -3.102  -3.811
   76    H    MET  12           H        MET  12   6.221  -1.494  -1.201
   77    HA   MET  12           HA       MET  12   8.476   0.360  -0.764
   78   1HB   MET  12          2HB       MET  12   6.844   2.305  -1.309
   79   2HB   MET  12          1HB       MET  12   7.601   1.460  -2.660
   80   1HG   MET  12          2HG       MET  12   5.607   0.065  -2.942
   81   2HG   MET  12          1HG       MET  12   4.849   0.836  -1.548
   82   1HE   MET  12          1HE       MET  12   5.439   2.413  -5.777
   83   2HE   MET  12          2HE       MET  12   5.539   0.763  -5.169
   84   3HE   MET  12          3HE       MET  12   6.833   1.905  -4.816
   85    H    THR  13           H        THR  13   8.070   1.795   1.060
   86    HA   THR  13           HA       THR  13   6.466   0.546   3.123
   87    HB   THR  13           HB       THR  13   7.092   2.743   4.364
   88    HG1  THR  13           1HG      THR  13   7.766   4.141   2.934
   89   1HG2  THR  13          1HG2      THR  13   9.398   1.933   4.704
   90   2HG2  THR  13          2HG2      THR  13   9.251   0.916   3.271
   91   3HG2  THR  13          3HG2      THR  13   8.251   0.593   4.688
   92    H    ARG  14           H        ARG  14   4.663   1.585   4.252
   93    HA   ARG  14           HA       ARG  14   2.605   2.530   2.571
   94   1HB   ARG  14          2HB       ARG  14   2.998   3.015   5.539
   95   2HB   ARG  14          1HB       ARG  14   1.490   3.288   4.666
   96   1HG   ARG  14          2HG       ARG  14   1.651   0.842   3.919
   97   2HG   ARG  14          1HG       ARG  14   2.913   0.662   5.139
   98   1HD   ARG  14          2HD       ARG  14   0.839   0.030   6.199
   99   2HD   ARG  14          1HD       ARG  14   1.275   1.611   6.830
  100    HE   ARG  14           HE       ARG  14  -0.341   2.145   4.616
  101   1HH1  ARG  14          1HH2      ARG  14  -0.573   0.283   7.518
  102   2HH1  ARG  14          2HH2      ARG  14  -2.280   0.522   7.688
  103   1HH2  ARG  14          1HH1      ARG  14  -2.569   2.456   4.824
  104   2HH2  ARG  14          2HH1      ARG  14  -3.406   1.752   6.166
  105    H    SER  15           H        SER  15   5.215   4.283   4.136
  106    HA   SER  15           HA       SER  15   4.094   6.910   3.976
  107   1HB   SER  15          2HB       SER  15   7.019   6.156   3.696
  108   2HB   SER  15          1HB       SER  15   6.376   7.721   4.185
  109    HG   SER  15           HG       SER  15   6.018   5.251   5.548
  110    H    ALA  16           H        ALA  16   6.121   5.070   1.689
  111    HA   ALA  16           HA       ALA  16   6.034   7.168  -0.325
  112   1HB   ALA  16          1HB       ALA  16   6.801   5.108  -1.787
  113   2HB   ALA  16          2HB       ALA  16   7.002   4.327  -0.219
  114   3HB   ALA  16          3HB       ALA  16   7.901   5.798  -0.594
  115    H    PHE  17           H        PHE  17   4.374   4.045   0.149
  116    HA   PHE  17           HA       PHE  17   2.844   4.047  -2.234
  117   1HB   PHE  17          2HB       PHE  17   3.014   2.174  -0.524
  118   2HB   PHE  17          1HB       PHE  17   1.855   3.072   0.458
  119    HD1  PHE  17           1HD      PHE  17   2.331   1.725  -3.007
  120    HD2  PHE  17           2HD      PHE  17  -0.445   2.794   0.093
  121    HE1  PHE  17           1HE      PHE  17   0.467   0.799  -4.356
  122    HE2  PHE  17           2HE      PHE  17  -2.307   1.867  -1.256
  123    HZ   PHE  17           HZ       PHE  17  -1.852   0.869  -3.480
  124    H    ALA  18           H        ALA  18   2.377   5.771   0.805
  125    HA   ALA  18           HA       ALA  18  -0.314   6.616   0.398
  126   1HB   ALA  18          1HB       ALA  18   0.843   6.923   2.544
  127   2HB   ALA  18          2HB       ALA  18   0.262   8.476   1.942
  128   3HB   ALA  18          3HB       ALA  18   1.969   8.053   1.790
  129    H    ASN  19           H        ASN  19   2.379   7.223  -1.482
  130    HA   ASN  19           HA       ASN  19   1.976   9.978  -2.201
  131   1HB   ASN  19          2HB       ASN  19   3.458   9.523  -4.053
  132   2HB   ASN  19          1HB       ASN  19   4.050   8.616  -2.661
  133   1HD2  ASN  19          1HD2      ASN  19   2.274   6.415  -2.663
  134   2HD2  ASN  19          2HD2      ASN  19   2.497   5.521  -4.089
  135    H    LEU  20           H        LEU  20   0.534   6.963  -3.322
  136    HA   LEU  20           HA       LEU  20  -0.661   7.994  -5.724
  137   1HB   LEU  20          2HB       LEU  20  -1.823   5.806  -3.990
  138   2HB   LEU  20          1HB       LEU  20  -1.961   5.992  -5.739
  139    HG   LEU  20           HG       LEU  20   0.549   5.328  -4.173
  140   1HD1  LEU  20          1HD1      LEU  20   0.424   3.317  -5.766
  141   2HD1  LEU  20          2HD1      LEU  20  -1.229   3.829  -6.106
  142   3HD1  LEU  20          3HD1      LEU  20  -0.767   3.368  -4.467
  143   1HD2  LEU  20          1HD2      LEU  20   0.100   6.120  -7.053
  144   2HD2  LEU  20          2HD2      LEU  20   1.469   5.111  -6.588
  145   3HD2  LEU  20          3HD2      LEU  20   1.304   6.735  -5.921
  146    HA   PRO  21           HA       PRO  21  -3.997  10.622  -4.501
  147   1HB   PRO  21          2HB       PRO  21  -5.690   8.618  -5.986
  148   2HB   PRO  21          1HB       PRO  21  -5.749  10.394  -6.040
  149   1HG   PRO  21          2HG       PRO  21  -4.552   9.068  -7.973
  150   2HG   PRO  21          1HG       PRO  21  -3.823  10.549  -7.321
  151   1HD   PRO  21          2HD       PRO  21  -2.989   7.707  -6.906
  152   2HD   PRO  21          1HD       PRO  21  -1.994   9.179  -6.945
  153    H    LEU  22           H        LEU  22  -5.475  10.723  -2.810
  154    HA   LEU  22           HA       LEU  22  -5.466   8.732  -0.814
  155   1HB   LEU  22          2HB       LEU  22  -6.069  11.120  -0.457
  156   2HB   LEU  22          1HB       LEU  22  -7.601  10.833  -1.280
  157    HG   LEU  22           HG       LEU  22  -8.121   9.063   0.415
  158   1HD1  LEU  22          1HD1      LEU  22  -5.429   9.950   1.393
  159   2HD1  LEU  22          2HD1      LEU  22  -6.109   8.325   1.316
  160   3HD1  LEU  22          3HD1      LEU  22  -6.634   9.443   2.575
  161   1HD2  LEU  22          1HD2      LEU  22  -8.606  10.652   2.247
  162   2HD2  LEU  22          2HD2      LEU  22  -8.970  11.367   0.677
  163   3HD2  LEU  22          3HD2      LEU  22  -7.494  11.817   1.530
  164    H    TRP  23           H        TRP  23  -7.843   9.280  -3.406
  165    HA   TRP  23           HA       TRP  23  -9.616   7.189  -2.400
  166   1HB   TRP  23          2HB       TRP  23 -10.947   7.638  -4.374
  167   2HB   TRP  23          1HB       TRP  23 -10.407   9.180  -3.709
  168    HD1  TRP  23           HD       TRP  23  -8.894  10.673  -5.175
  169    HE1  TRP  23           1HE      TRP  23  -7.935  10.470  -7.560
  170    HE3  TRP  23           3HE      TRP  23 -10.032   5.797  -6.171
  171    HZ2  TRP  23           2HZ      TRP  23  -7.685   8.499  -9.618
  172    HZ3  TRP  23           3HZ      TRP  23  -9.424   4.782  -8.348
  173    HH2  TRP  23           HH       TRP  23  -8.254   6.126 -10.072
  174    H    ARG  24           H        ARG  24  -7.014   7.382  -4.761
  175    HA   ARG  24           HA       ARG  24  -7.637   4.900  -6.100
  176   1HB   ARG  24          2HB       ARG  24  -6.188   6.678  -7.077
  177   2HB   ARG  24          1HB       ARG  24  -4.958   6.297  -5.870
  178   1HG   ARG  24          2HG       ARG  24  -4.778   4.015  -6.710
  179   2HG   ARG  24          1HG       ARG  24  -6.091   4.302  -7.852
  180   1HD   ARG  24          2HD       ARG  24  -4.528   4.954  -9.337
  181   2HD   ARG  24          1HD       ARG  24  -4.278   6.380  -8.328
  182    HE   ARG  24           HE       ARG  24  -2.702   4.476  -7.111
  183   1HH1  ARG  24          1HH2      ARG  24  -3.125   5.625 -10.332
  184   2HH1  ARG  24          2HH2      ARG  24  -1.471   5.375 -10.782
  185   1HH2  ARG  24          1HH1      ARG  24  -0.538   4.145  -7.677
  186   2HH2  ARG  24          2HH1      ARG  24  -0.005   4.538  -9.277
  187    H    GLN  25           H        GLN  25  -5.275   5.706  -3.520
  188    HA   GLN  25           HA       GLN  25  -4.055   3.219  -3.238
  189   1HB   GLN  25          2HB       GLN  25  -3.880   3.787  -0.769
  190   2HB   GLN  25          1HB       GLN  25  -3.295   5.032  -1.874
  191   1HG   GLN  25          2HG       GLN  25  -5.457   6.215  -1.698
  192   2HG   GLN  25          1HG       GLN  25  -6.047   4.973  -0.590
  193   1HE2  GLN  25          1HE2      GLN  25  -3.596   7.551  -0.924
  194   2HE2  GLN  25          2HE2      GLN  25  -3.331   7.740   0.742
  195    H    GLN  26           H        GLN  26  -7.246   4.197  -1.972
  196    HA   GLN  26           HA       GLN  26  -7.738   1.707  -0.597
  197   1HB   GLN  26          2HB       GLN  26  -9.657   3.745  -1.765
  198   2HB   GLN  26          1HB       GLN  26 -10.149   2.386  -0.754
  199   1HG   GLN  26          2HG       GLN  26  -8.712   3.219   1.072
  200   2HG   GLN  26          1HG       GLN  26  -8.226   4.583   0.063
  201   1HE2  GLN  26          1HE2      GLN  26  -9.596   4.944   2.578
  202   2HE2  GLN  26          2HE2      GLN  26 -11.123   5.610   2.251
  203    H    ASN  27           H        ASN  27  -8.273   2.854  -3.888
  204    HA   ASN  27           HA       ASN  27  -9.817   0.649  -4.841
  205   1HB   ASN  27          2HB       ASN  27  -9.424   2.838  -6.044
  206   2HB   ASN  27          1HB       ASN  27  -7.800   2.270  -6.426
  207   1HD2  ASN  27          1HD2      ASN  27 -11.247   1.268  -6.780
  208   2HD2  ASN  27          2HD2      ASN  27 -11.010   0.448  -8.247
  209    H    LEU  28           H        LEU  28  -6.290   1.245  -5.055
  210    HA   LEU  28           HA       LEU  28  -5.691  -1.360  -6.129
  211   1HB   LEU  28          2HB       LEU  28  -3.856   0.471  -4.559
  212   2HB   LEU  28          1HB       LEU  28  -3.371  -0.808  -5.670
  213    HG   LEU  28           HG       LEU  28  -4.870   1.729  -6.388
  214   1HD1  LEU  28          1HD1      LEU  28  -2.345   1.790  -5.932
  215   2HD1  LEU  28          2HD1      LEU  28  -2.869   2.378  -7.509
  216   3HD1  LEU  28          3HD1      LEU  28  -2.172   0.765  -7.357
  217   1HD2  LEU  28          1HD2      LEU  28  -4.347   0.753  -8.763
  218   2HD2  LEU  28          2HD2      LEU  28  -5.740   0.132  -7.877
  219   3HD2  LEU  28          3HD2      LEU  28  -4.236  -0.790  -7.915
  220    H    ARG  29           H        ARG  29  -5.950  -0.096  -2.835
  221    HA   ARG  29           HA       ARG  29  -4.779  -2.486  -1.645
  222   1HB   ARG  29          2HB       ARG  29  -6.255  -0.107  -0.514
  223   2HB   ARG  29          1HB       ARG  29  -5.724  -1.454   0.496
  224   1HG   ARG  29          2HG       ARG  29  -3.403  -1.119  -0.258
  225   2HG   ARG  29          1HG       ARG  29  -3.923   0.215  -1.288
  226   1HD   ARG  29          2HD       ARG  29  -4.171   0.109   1.733
  227   2HD   ARG  29          1HD       ARG  29  -3.009   1.074   0.825
  228    HE   ARG  29           HE       ARG  29  -5.467   1.860  -0.189
  229   1HH1  ARG  29          1HH2      ARG  29  -4.010   1.598   2.928
  230   2HH1  ARG  29          2HH2      ARG  29  -4.908   2.917   3.602
  231   1HH2  ARG  29          1HH1      ARG  29  -6.643   3.579   0.674
  232   2HH2  ARG  29          2HH1      ARG  29  -6.399   4.039   2.325
  233    H    ARG  30           H        ARG  30  -8.126  -1.247  -2.004
  234    HA   ARG  30           HA       ARG  30  -9.360  -3.418  -0.609
  235   1HB   ARG  30          2HB       ARG  30 -10.357  -1.566  -2.781
  236   2HB   ARG  30          1HB       ARG  30 -11.385  -2.807  -2.065
  237   1HG   ARG  30          2HG       ARG  30 -10.961  -1.849   0.181
  238   2HG   ARG  30          1HG       ARG  30  -9.966  -0.592  -0.555
  239   1HD   ARG  30          2HD       ARG  30 -12.913  -1.066  -1.091
  240   2HD   ARG  30          1HD       ARG  30 -12.231   0.261  -0.153
  241    HE   ARG  30           HE       ARG  30 -10.969   0.470  -2.612
  242   1HH1  ARG  30          1HH2      ARG  30 -14.220   0.262  -1.478
  243   2HH1  ARG  30          2HH2      ARG  30 -14.869   1.220  -2.768
  244   1HH2  ARG  30          1HH1      ARG  30 -11.798   1.720  -4.298
  245   2HH2  ARG  30          2HH1      ARG  30 -13.497   2.046  -4.364
  246    H    GLU  31           H        GLU  31  -8.570  -2.978  -4.059
  247    HA   GLU  31           HA       GLU  31  -9.617  -5.502  -4.938
  248   1HB   GLU  31          2HB       GLU  31  -7.396  -3.746  -6.028
  249   2HB   GLU  31          1HB       GLU  31  -7.994  -5.182  -6.859
  250   1HG   GLU  31          2HG       GLU  31 -10.266  -4.207  -6.897
  251   2HG   GLU  31          1HG       GLU  31  -9.654  -2.765  -6.085
  252    H    ARG  32           H        ARG  32  -6.854  -4.656  -3.081
  253    HA   ARG  32           HA       ARG  32  -5.303  -7.039  -3.783
  254   1HB   ARG  32          2HB       ARG  32  -4.364  -4.770  -3.028
  255   2HB   ARG  32          1HB       ARG  32  -4.840  -5.250  -1.398
  256   1HG   ARG  32          2HG       ARG  32  -2.689  -6.095  -1.432
  257   2HG   ARG  32          1HG       ARG  32  -3.561  -7.487  -2.071
  258   1HD   ARG  32          2HD       ARG  32  -3.160  -6.418  -4.396
  259   2HD   ARG  32          1HD       ARG  32  -1.947  -5.435  -3.578
  260    HE   ARG  32           HE       ARG  32  -1.333  -8.033  -2.817
  261   1HH1  ARG  32          1HH2      ARG  32  -1.842  -6.335  -5.774
  262   2HH1  ARG  32          2HH2      ARG  32  -0.736  -7.312  -6.681
  263   1HH2  ARG  32          1HH1      ARG  32   0.114  -9.319  -3.983
  264   2HH2  ARG  32          2HH1      ARG  32   0.372  -9.000  -5.666
  265    H    GLY  33           H        GLY  33  -7.720  -6.196  -1.407
  266   1HA   GLY  33          2HA       GLY  33  -8.904  -7.858  -0.124
  267   2HA   GLY  33          1HA       GLY  33  -7.557  -8.969  -0.371
  268    H    LEU  34           H        LEU  34  -6.162  -6.094   0.429
  269    HA   LEU  34           HA       LEU  34  -5.802  -6.987   3.234
  270   1HB   LEU  34          2HB       LEU  34  -4.402  -4.670   1.890
  271   2HB   LEU  34          1HB       LEU  34  -3.865  -5.609   3.284
  272    HG   LEU  34           HG       LEU  34  -4.144  -6.647   0.447
  273   1HD1  LEU  34          1HD1      LEU  34  -2.207  -5.153   0.770
  274   2HD1  LEU  34          2HD1      LEU  34  -1.681  -6.824   0.557
  275   3HD1  LEU  34          3HD1      LEU  34  -1.704  -6.104   2.167
  276   1HD2  LEU  34          1HD2      LEU  34  -3.413  -7.944   3.078
  277   2HD2  LEU  34          2HD2      LEU  34  -2.883  -8.622   1.538
  278   3HD2  LEU  34          3HD2      LEU  34  -4.605  -8.474   1.892
  279    H    PHE  35           H        PHE  35  -5.884  -3.681   1.900
  280    HA   PHE  35           HA       PHE  35  -6.816  -1.752   2.913
  281   1HB   PHE  35          2HB       PHE  35  -9.237  -1.827   2.899
  282   2HB   PHE  35          1HB       PHE  35  -8.656  -2.783   1.535
  283    HD1  PHE  35           1HD      PHE  35 -10.140  -2.925   4.918
  284    HD2  PHE  35           2HD      PHE  35  -8.886  -5.196   1.493
  285    HE1  PHE  35           1HE      PHE  35 -11.335  -4.912   5.798
  286    HE2  PHE  35           2HE      PHE  35 -10.081  -7.182   2.373
  287    HZ   PHE  35           HZ       PHE  35 -11.306  -7.040   4.525
  Start of MODEL    4
    1   1H    LEU   1          1HT       LEU   1   0.743  -1.682  10.301
    2   2H    LEU   1          2HT       LEU   1  -0.561  -0.969  11.126
    3   3H    LEU   1          3HT       LEU   1  -0.565  -1.044   9.428
    4    HA   LEU   1           HA       LEU   1  -1.356  -3.022  11.358
    5   1HB   LEU   1          2HB       LEU   1  -1.742  -2.955   8.357
    6   2HB   LEU   1          1HB       LEU   1  -2.770  -3.727   9.565
    7    HG   LEU   1           HG       LEU   1  -2.331  -0.747   9.219
    8   1HD1  LEU   1          1HD1      LEU   1  -4.736  -2.549   8.800
    9   2HD1  LEU   1          2HD1      LEU   1  -3.842  -1.683   7.550
   10   3HD1  LEU   1          3HD1      LEU   1  -4.786  -0.787   8.740
   11   1HD2  LEU   1          1HD2      LEU   1  -4.227  -0.730  10.990
   12   2HD2  LEU   1          2HD2      LEU   1  -2.589  -1.067  11.550
   13   3HD2  LEU   1          3HD2      LEU   1  -3.735  -2.389  11.329
   14    H    SER   2           H        SER   2   0.311  -3.229   8.188
   15    HA   SER   2           HA       SER   2   1.981  -5.419   9.297
   16   1HB   SER   2          2HB       SER   2   1.407  -6.979   7.605
   17   2HB   SER   2          1HB       SER   2  -0.138  -6.323   8.136
   18    HG   SER   2           HG       SER   2  -0.038  -4.884   6.363
   19    H    ASP   3           H        ASP   3   3.422  -3.407   9.059
   20    HA   ASP   3           HA       ASP   3   4.126  -2.360   6.507
   21   1HB   ASP   3          2HB       ASP   3   6.190  -1.604   7.575
   22   2HB   ASP   3          1HB       ASP   3   4.842  -1.372   8.688
   23    H    GLU   4           H        GLU   4   5.101  -5.288   8.197
   24    HA   GLU   4           HA       GLU   4   7.293  -5.963   6.449
   25   1HB   GLU   4          2HB       GLU   4   6.725  -6.973   8.755
   26   2HB   GLU   4          1HB       GLU   4   5.549  -7.965   7.892
   27   1HG   GLU   4          2HG       GLU   4   7.571  -9.253   8.012
   28   2HG   GLU   4          1HG       GLU   4   7.440  -8.672   6.352
   29    H    ASP   5           H        ASP   5   3.879  -7.021   6.554
   30    HA   ASP   5           HA       ASP   5   4.104  -8.497   4.060
   31   1HB   ASP   5          2HB       ASP   5   1.587  -7.502   5.427
   32   2HB   ASP   5          1HB       ASP   5   1.714  -8.823   4.264
   33    H    PHE   6           H        PHE   6   2.637  -5.382   4.998
   34    HA   PHE   6           HA       PHE   6   1.625  -4.593   2.500
   35   1HB   PHE   6          2HB       PHE   6   1.267  -3.300   4.563
   36   2HB   PHE   6          1HB       PHE   6   2.975  -2.860   4.593
   37    HD1  PHE   6           1HD      PHE   6  -0.285  -2.155   3.157
   38    HD2  PHE   6           2HD      PHE   6   3.934  -1.469   2.725
   39    HE1  PHE   6           1HE      PHE   6  -0.750  -0.239   1.652
   40    HE2  PHE   6           2HE      PHE   6   3.467   0.446   1.219
   41    HZ   PHE   6           HZ       PHE   6   1.125   1.061   0.683
   42    H    ARG   7           H        ARG   7   4.834  -3.675   3.813
   43    HA   ARG   7           HA       ARG   7   5.856  -2.447   1.517
   44   1HB   ARG   7          2HB       ARG   7   6.993  -2.537   3.743
   45   2HB   ARG   7          1HB       ARG   7   7.426  -4.216   3.419
   46   1HG   ARG   7          2HG       ARG   7   8.652  -3.506   1.394
   47   2HG   ARG   7          1HG       ARG   7   8.228  -1.827   1.729
   48   1HD   ARG   7          2HD       ARG   7   9.302  -2.691   4.132
   49   2HD   ARG   7          1HD       ARG   7  10.311  -3.498   2.935
   50    HE   ARG   7           HE       ARG   7  10.550  -0.778   3.583
   51   1HH1  ARG   7          1HH2      ARG   7   9.945  -2.737   0.811
   52   2HH1  ARG   7          2HH2      ARG   7  10.690  -1.632  -0.295
   53   1HH2  ARG   7          1HH1      ARG   7  11.524   0.673   2.157
   54   2HH2  ARG   7          2HH1      ARG   7  11.585   0.298   0.466
   55    H    ALA   8           H        ALA   8   5.689  -5.906   2.265
   56    HA   ALA   8           HA       ALA   8   7.254  -6.774   0.010
   57   1HB   ALA   8          1HB       ALA   8   6.698  -8.167   2.032
   58   2HB   ALA   8          2HB       ALA   8   6.387  -8.982   0.500
   59   3HB   ALA   8          3HB       ALA   8   5.049  -8.298   1.424
   60    H    VAL   9           H        VAL   9   3.878  -5.879   0.392
   61    HA   VAL   9           HA       VAL   9   2.943  -7.142  -2.024
   62    HB   VAL   9           HB       VAL   9   1.835  -4.826  -0.421
   63   1HG1  VAL   9          1HG1      VAL   9   0.914  -4.597  -2.607
   64   2HG1  VAL   9          2HG1      VAL   9  -0.302  -5.481  -1.684
   65   3HG1  VAL   9          3HG1      VAL   9   0.755  -6.342  -2.804
   66   1HG2  VAL   9          1HG2      VAL   9   0.449  -6.438   0.618
   67   2HG2  VAL   9          2HG2      VAL   9   2.025  -7.228   0.543
   68   3HG2  VAL   9          3HG2      VAL   9   0.772  -7.645  -0.628
   69   1HN   PF5  10          H         PF5  10   3.890  -3.739  -1.351
   70    HA   PF5  10           HA       PF5  10   3.843  -3.293  -4.298
   71   1HB   PF5  10          1HB       PF5  10   3.705  -0.937  -3.794
   72   2HB   PF5  10          2HB       PF5  10   4.075  -1.232  -2.090
   73    H    GLY  11           H        GLY  11   6.016  -3.641  -1.640
   74   1HA   GLY  11          2HA       GLY  11   8.376  -3.951  -1.888
   75   2HA   GLY  11          1HA       GLY  11   8.273  -3.240  -3.499
   76    H    MET  12           H        MET  12   6.592  -1.439  -1.149
   77    HA   MET  12           HA       MET  12   8.944   0.238  -0.494
   78   1HB   MET  12          2HB       MET  12   7.716   2.296  -1.232
   79   2HB   MET  12          1HB       MET  12   8.150   1.230  -2.569
   80   1HG   MET  12          2HG       MET  12   5.889   0.276  -2.572
   81   2HG   MET  12          1HG       MET  12   5.447   1.284  -1.193
   82   1HE   MET  12          1HE       MET  12   5.943   2.410  -5.576
   83   2HE   MET  12          2HE       MET  12   5.742   0.823  -4.838
   84   3HE   MET  12          3HE       MET  12   7.282   1.667  -4.690
   85    H    THR  13           H        THR  13   8.353   1.905   1.171
   86    HA   THR  13           HA       THR  13   6.620   0.711   3.185
   87    HB   THR  13           HB       THR  13   7.195   2.935   4.394
   88    HG1  THR  13           1HG      THR  13   7.943   3.598   2.053
   89   1HG2  THR  13          1HG2      THR  13   8.306   0.786   4.857
   90   2HG2  THR  13          2HG2      THR  13   9.463   2.116   4.913
   91   3HG2  THR  13          3HG2      THR  13   9.403   1.058   3.503
   92    H    ARG  14           H        ARG  14   4.780   1.859   4.167
   93    HA   ARG  14           HA       ARG  14   2.841   2.734   2.317
   94   1HB   ARG  14          2HB       ARG  14   3.085   3.363   5.273
   95   2HB   ARG  14          1HB       ARG  14   1.641   3.665   4.307
   96   1HG   ARG  14          2HG       ARG  14   1.603   1.226   3.710
   97   2HG   ARG  14          1HG       ARG  14   2.935   0.976   4.839
   98   1HD   ARG  14          2HD       ARG  14   1.474   2.028   6.635
   99   2HD   ARG  14          1HD       ARG  14   0.146   1.967   5.485
  100    HE   ARG  14           HE       ARG  14   1.152  -0.630   5.521
  101   1HH1  ARG  14          1HH2      ARG  14   0.041   1.654   7.865
  102   2HH1  ARG  14          2HH2      ARG  14  -0.597   0.446   8.931
  103   1HH2  ARG  14          1HH1      ARG  14   0.328  -2.213   6.907
  104   2HH2  ARG  14          2HH1      ARG  14  -0.435  -1.739   8.387
  105    H    SER  15           H        SER  15   5.414   4.525   3.885
  106    HA   SER  15           HA       SER  15   4.414   7.163   3.633
  107   1HB   SER  15          2HB       SER  15   6.581   6.493   4.753
  108   2HB   SER  15          1HB       SER  15   7.286   6.320   3.148
  109    HG   SER  15           HG       SER  15   6.132   8.627   3.090
  110    H    ALA  16           H        ALA  16   6.229   5.190   1.279
  111    HA   ALA  16           HA       ALA  16   6.065   7.224  -0.795
  112   1HB   ALA  16          1HB       ALA  16   6.535   4.283  -1.282
  113   2HB   ALA  16          2HB       ALA  16   7.788   5.301  -0.572
  114   3HB   ALA  16          3HB       ALA  16   7.167   5.660  -2.184
  115    H    PHE  17           H        PHE  17   4.366   4.155  -0.134
  116    HA   PHE  17           HA       PHE  17   2.668   4.169  -2.407
  117   1HB   PHE  17          2HB       PHE  17   2.957   2.322  -0.646
  118   2HB   PHE  17          1HB       PHE  17   1.802   3.229   0.333
  119    HD1  PHE  17           1HD      PHE  17   2.247   1.768  -3.086
  120    HD2  PHE  17           2HD      PHE  17  -0.505   2.948  -0.006
  121    HE1  PHE  17           1HE      PHE  17   0.374   0.786  -4.382
  122    HE2  PHE  17           2HE      PHE  17  -2.377   1.966  -1.303
  123    HZ   PHE  17           HZ       PHE  17  -1.938   0.885  -3.491
  124    H    ALA  18           H        ALA  18   2.366   5.806   0.722
  125    HA   ALA  18           HA       ALA  18  -0.299   6.734   0.476
  126   1HB   ALA  18          1HB       ALA  18   0.521   8.669   1.913
  127   2HB   ALA  18          2HB       ALA  18   2.138   7.982   1.771
  128   3HB   ALA  18          3HB       ALA  18   0.854   7.063   2.558
  129    H    ASN  19           H        ASN  19   2.415   7.441  -1.440
  130    HA   ASN  19           HA       ASN  19   1.904  10.158  -2.164
  131   1HB   ASN  19          2HB       ASN  19   3.159   7.910  -3.769
  132   2HB   ASN  19          1HB       ASN  19   3.228   9.619  -4.204
  133   1HD2  ASN  19          1HD2      ASN  19   5.586   8.027  -3.586
  134   2HD2  ASN  19          2HD2      ASN  19   6.282   8.677  -2.181
  135    H    LEU  20           H        LEU  20   0.466   7.128  -3.235
  136    HA   LEU  20           HA       LEU  20  -0.826   8.221  -5.590
  137   1HB   LEU  20          2HB       LEU  20  -1.710   5.822  -3.966
  138   2HB   LEU  20          1HB       LEU  20  -2.023   6.135  -5.673
  139    HG   LEU  20           HG       LEU  20   0.716   5.688  -4.447
  140   1HD1  LEU  20          1HD1      LEU  20  -0.359   3.581  -4.468
  141   2HD1  LEU  20          2HD1      LEU  20   0.539   3.613  -5.985
  142   3HD1  LEU  20          3HD1      LEU  20  -1.197   3.927  -5.980
  143   1HD2  LEU  20          1HD2      LEU  20   1.060   7.065  -6.327
  144   2HD2  LEU  20          2HD2      LEU  20  -0.271   6.334  -7.223
  145   3HD2  LEU  20          3HD2      LEU  20   1.232   5.440  -6.992
  146    HA   PRO  21           HA       PRO  21  -4.301  10.482  -4.073
  147   1HB   PRO  21          2HB       PRO  21  -5.910   8.502  -5.673
  148   2HB   PRO  21          1HB       PRO  21  -6.068  10.270  -5.593
  149   1HG   PRO  21          2HG       PRO  21  -4.859   9.174  -7.649
  150   2HG   PRO  21          1HG       PRO  21  -4.176  10.626  -6.892
  151   1HD   PRO  21          2HD       PRO  21  -3.227   7.789  -6.711
  152   2HD   PRO  21          1HD       PRO  21  -2.284   9.295  -6.706
  153    H    LEU  22           H        LEU  22  -5.452  10.345  -2.196
  154    HA   LEU  22           HA       LEU  22  -5.368   8.154  -0.472
  155   1HB   LEU  22          2HB       LEU  22  -5.992  10.465   0.188
  156   2HB   LEU  22          1HB       LEU  22  -7.559  10.247  -0.592
  157    HG   LEU  22           HG       LEU  22  -7.983   8.293   0.912
  158   1HD1  LEU  22          1HD1      LEU  22  -5.926   7.474   1.618
  159   2HD1  LEU  22          2HD1      LEU  22  -6.392   8.431   3.024
  160   3HD1  LEU  22          3HD1      LEU  22  -5.250   9.087   1.853
  161   1HD2  LEU  22          1HD2      LEU  22  -7.366  10.982   2.166
  162   2HD2  LEU  22          2HD2      LEU  22  -8.229   9.698   3.011
  163   3HD2  LEU  22          3HD2      LEU  22  -8.923  10.418   1.559
  164    H    TRP  23           H        TRP  23  -8.054   9.009  -2.680
  165    HA   TRP  23           HA       TRP  23  -9.691   6.775  -1.887
  166   1HB   TRP  23          2HB       TRP  23 -11.081   7.354  -3.771
  167   2HB   TRP  23          1HB       TRP  23 -10.506   8.858  -3.053
  168    HD1  TRP  23           HD       TRP  23  -8.944  10.378  -4.466
  169    HE1  TRP  23           1HE      TRP  23  -8.109  10.299  -6.904
  170    HE3  TRP  23           3HE      TRP  23 -10.373   5.643  -5.733
  171    HZ2  TRP  23           2HZ      TRP  23  -8.054   8.468  -9.101
  172    HZ3  TRP  23           3HZ      TRP  23  -9.918   4.757  -8.002
  173    HH2  TRP  23           HH       TRP  23  -8.762   6.162  -9.687
  174    H    ARG  24           H        ARG  24  -7.383   7.241  -4.562
  175    HA   ARG  24           HA       ARG  24  -7.903   4.790  -5.909
  176   1HB   ARG  24          2HB       ARG  24  -6.525   6.630  -6.848
  177   2HB   ARG  24          1HB       ARG  24  -5.257   6.251  -5.681
  178   1HG   ARG  24          2HG       ARG  24  -5.033   3.997  -6.604
  179   2HG   ARG  24          1HG       ARG  24  -6.359   4.303  -7.728
  180   1HD   ARG  24          2HD       ARG  24  -4.846   5.093  -9.193
  181   2HD   ARG  24          1HD       ARG  24  -4.560   6.439  -8.086
  182    HE   ARG  24           HE       ARG  24  -2.971   4.455  -7.042
  183   1HH1  ARG  24          1HH2      ARG  24  -3.471   5.783 -10.183
  184   2HH1  ARG  24          2HH2      ARG  24  -1.833   5.540 -10.693
  185   1HH2  ARG  24          1HH1      ARG  24  -0.828   4.129  -7.689
  186   2HH2  ARG  24          2HH1      ARG  24  -0.337   4.605  -9.281
  187    H    GLN  25           H        GLN  25  -5.633   5.503  -3.241
  188    HA   GLN  25           HA       GLN  25  -4.266   3.062  -3.152
  189   1HB   GLN  25          2HB       GLN  25  -5.227   4.754  -0.831
  190   2HB   GLN  25          1HB       GLN  25  -4.043   3.454  -0.695
  191   1HG   GLN  25          2HG       GLN  25  -2.511   4.598  -2.180
  192   2HG   GLN  25          1HG       GLN  25  -3.719   5.828  -2.554
  193   1HE2  GLN  25          1HE2      GLN  25  -2.142   7.453  -1.702
  194   2HE2  GLN  25          2HE2      GLN  25  -1.988   7.670  -0.026
  195    H    GLN  26           H        GLN  26  -7.486   3.797  -1.776
  196    HA   GLN  26           HA       GLN  26  -7.880   1.213  -0.592
  197   1HB   GLN  26          2HB       GLN  26  -9.905   3.176  -1.712
  198   2HB   GLN  26          1HB       GLN  26 -10.314   1.762  -0.740
  199   1HG   GLN  26          2HG       GLN  26  -8.395   3.897   0.216
  200   2HG   GLN  26          1HG       GLN  26 -10.128   3.960   0.540
  201   1HE2  GLN  26          1HE2      GLN  26 -10.951   2.615   2.208
  202   2HE2  GLN  26          2HE2      GLN  26  -9.994   1.534   3.102
  203    H    ASN  27           H        ASN  27  -8.474   2.505  -3.826
  204    HA   ASN  27           HA       ASN  27  -9.847   0.257  -4.919
  205   1HB   ASN  27          2HB       ASN  27  -9.537   2.558  -5.976
  206   2HB   ASN  27          1HB       ASN  27  -7.911   2.040  -6.422
  207   1HD2  ASN  27          1HD2      ASN  27  -9.478   2.603  -8.573
  208   2HD2  ASN  27          2HD2      ASN  27 -10.047   1.190  -9.322
  209    H    LEU  28           H        LEU  28  -6.363   1.076  -4.992
  210    HA   LEU  28           HA       LEU  28  -5.613  -1.457  -6.187
  211   1HB   LEU  28          2HB       LEU  28  -3.873   0.473  -4.627
  212   2HB   LEU  28          1HB       LEU  28  -3.326  -0.752  -5.769
  213    HG   LEU  28           HG       LEU  28  -4.995   1.698  -6.403
  214   1HD1  LEU  28          1HD1      LEU  28  -3.056   2.396  -7.678
  215   2HD1  LEU  28          2HD1      LEU  28  -2.249   0.858  -7.373
  216   3HD1  LEU  28          3HD1      LEU  28  -2.516   1.991  -6.048
  217   1HD2  LEU  28          1HD2      LEU  28  -5.834   0.077  -7.883
  218   2HD2  LEU  28          2HD2      LEU  28  -4.286  -0.760  -7.992
  219   3HD2  LEU  28          3HD2      LEU  28  -4.510   0.785  -8.809
  220    H    ARG  29           H        ARG  29  -5.892  -0.263  -2.869
  221    HA   ARG  29           HA       ARG  29  -4.533  -2.583  -1.741
  222   1HB   ARG  29          2HB       ARG  29  -6.161  -0.342  -0.534
  223   2HB   ARG  29          1HB       ARG  29  -5.486  -1.654   0.434
  224   1HG   ARG  29          2HG       ARG  29  -3.228  -1.110  -0.371
  225   2HG   ARG  29          1HG       ARG  29  -3.887   0.182  -1.375
  226   1HD   ARG  29          2HD       ARG  29  -4.111   0.045   1.647
  227   2HD   ARG  29          1HD       ARG  29  -2.968   1.051   0.760
  228    HE   ARG  29           HE       ARG  29  -5.441   1.752  -0.288
  229   1HH1  ARG  29          1HH2      ARG  29  -4.000   1.552   2.841
  230   2HH1  ARG  29          2HH2      ARG  29  -4.946   2.844   3.502
  231   1HH2  ARG  29          1HH1      ARG  29  -6.679   3.436   0.557
  232   2HH2  ARG  29          2HH1      ARG  29  -6.463   3.911   2.209
  233    H    ARG  30           H        ARG  30  -7.971  -1.556  -1.933
  234    HA   ARG  30           HA       ARG  30  -8.979  -3.898  -0.618
  235   1HB   ARG  30          2HB       ARG  30 -10.309  -1.812  -1.038
  236   2HB   ARG  30          1HB       ARG  30 -10.386  -2.253  -2.745
  237   1HG   ARG  30          2HG       ARG  30 -11.556  -4.316  -2.213
  238   2HG   ARG  30          1HG       ARG  30 -11.354  -4.027  -0.484
  239   1HD   ARG  30          2HD       ARG  30 -12.865  -2.169  -2.342
  240   2HD   ARG  30          1HD       ARG  30 -13.631  -3.404  -1.345
  241    HE   ARG  30           HE       ARG  30 -12.118  -1.947   0.460
  242   1HH1  ARG  30          1HH2      ARG  30 -14.478  -1.246  -1.956
  243   2HH1  ARG  30          2HH2      ARG  30 -15.111   0.135  -1.125
  244   1HH2  ARG  30          1HH1      ARG  30 -12.931  -0.151   1.557
  245   2HH2  ARG  30          2HH1      ARG  30 -14.235   0.755   0.865
  246    H    GLU  31           H        GLU  31  -8.146  -3.207  -3.985
  247    HA   GLU  31           HA       GLU  31  -9.273  -5.529  -5.190
  248   1HB   GLU  31          2HB       GLU  31  -8.232  -3.578  -6.411
  249   2HB   GLU  31          1HB       GLU  31  -6.649  -4.201  -5.944
  250   1HG   GLU  31          2HG       GLU  31  -7.207  -6.354  -7.077
  251   2HG   GLU  31          1HG       GLU  31  -8.724  -5.639  -7.621
  252    H    ARG  32           H        ARG  32  -6.495  -5.095  -3.140
  253    HA   ARG  32           HA       ARG  32  -5.606  -7.882  -3.716
  254   1HB   ARG  32          2HB       ARG  32  -4.175  -5.581  -2.361
  255   2HB   ARG  32          1HB       ARG  32  -3.503  -7.200  -2.563
  256   1HG   ARG  32          2HG       ARG  32  -3.895  -6.941  -5.053
  257   2HG   ARG  32          1HG       ARG  32  -4.279  -5.248  -4.742
  258   1HD   ARG  32          2HD       ARG  32  -2.062  -4.902  -3.752
  259   2HD   ARG  32          1HD       ARG  32  -1.675  -6.606  -3.987
  260    HE   ARG  32           HE       ARG  32  -2.350  -5.690  -6.527
  261   1HH1  ARG  32          1HH2      ARG  32  -0.154  -4.812  -4.019
  262   2HH1  ARG  32          2HH2      ARG  32   1.049  -4.199  -5.104
  263   1HH2  ARG  32          1HH1      ARG  32  -0.793  -4.895  -7.958
  264   2HH2  ARG  32          2HH1      ARG  32   0.687  -4.246  -7.335
  265    H    GLY  33           H        GLY  33  -7.707  -6.511  -1.674
  266   1HA   GLY  33          2HA       GLY  33  -8.644  -7.438   0.298
  267   2HA   GLY  33          1HA       GLY  33  -7.335  -8.619   0.319
  268    H    LEU  34           H        LEU  34  -6.613  -5.206   0.078
  269    HA   LEU  34           HA       LEU  34  -5.720  -5.265   2.936
  270   1HB   LEU  34          2HB       LEU  34  -4.347  -3.839   0.638
  271   2HB   LEU  34          1HB       LEU  34  -3.784  -3.925   2.307
  272    HG   LEU  34           HG       LEU  34  -4.187  -6.333   0.511
  273   1HD1  LEU  34          1HD1      LEU  34  -2.305  -4.697  -0.107
  274   2HD1  LEU  34          2HD1      LEU  34  -1.829  -6.371   0.182
  275   3HD1  LEU  34          3HD1      LEU  34  -1.560  -5.150   1.426
  276   1HD2  LEU  34          1HD2      LEU  34  -2.633  -7.270   2.410
  277   2HD2  LEU  34          2HD2      LEU  34  -4.363  -7.115   2.714
  278   3HD2  LEU  34          3HD2      LEU  34  -3.246  -5.901   3.337
  279    H    PHE  35           H        PHE  35  -5.759  -3.170   4.012
  280    HA   PHE  35           HA       PHE  35  -6.838  -0.817   2.744
  281   1HB   PHE  35          2HB       PHE  35  -9.066  -0.809   3.689
  282   2HB   PHE  35          1HB       PHE  35  -8.867  -2.314   2.792
  283    HD1  PHE  35           1HD      PHE  35  -9.288  -0.796   6.091
  284    HD2  PHE  35           2HD      PHE  35  -8.459  -4.450   3.992
  285    HE1  PHE  35           1HE      PHE  35  -9.779  -2.089   8.149
  286    HE2  PHE  35           2HE      PHE  35  -8.951  -5.744   6.050
  287    HZ   PHE  35           HZ       PHE  35  -9.611  -4.564   8.129
  Start of MODEL    5
    1   1H    LEU   1          1HT       LEU   1  -0.162   0.370   9.346
    2   2H    LEU   1          2HT       LEU   1   0.118  -0.829   8.175
    3   3H    LEU   1          3HT       LEU   1   1.425  -0.110   8.990
    4    HA   LEU   1           HA       LEU   1   0.632  -1.057  11.091
    5   1HB   LEU   1          2HB       LEU   1  -1.255  -2.657   9.350
    6   2HB   LEU   1          1HB       LEU   1  -1.189  -2.603  11.112
    7    HG   LEU   1           HG       LEU   1  -1.980  -0.320   9.279
    8   1HD1  LEU   1          1HD1      LEU   1  -3.566  -1.912  11.320
    9   2HD1  LEU   1          2HD1      LEU   1  -3.697  -2.087   9.569
   10   3HD1  LEU   1          3HD1      LEU   1  -4.181  -0.578  10.344
   11   1HD2  LEU   1          1HD2      LEU   1  -0.886   0.695  11.117
   12   2HD2  LEU   1          2HD2      LEU   1  -1.496  -0.507  12.254
   13   3HD2  LEU   1          3HD2      LEU   1  -2.588   0.705  11.583
   14    H    SER   2           H        SER   2   0.104  -3.332   8.396
   15    HA   SER   2           HA       SER   2   2.322  -4.984   9.362
   16   1HB   SER   2          2HB       SER   2   0.934  -5.439   6.738
   17   2HB   SER   2          1HB       SER   2   1.546  -6.621   7.891
   18    HG   SER   2           HG       SER   2  -0.749  -4.969   8.094
   19    H    ASP   3           H        ASP   3   3.772  -2.946   8.929
   20    HA   ASP   3           HA       ASP   3   4.468  -2.146   6.303
   21   1HB   ASP   3          2HB       ASP   3   6.252  -2.393   8.746
   22   2HB   ASP   3          1HB       ASP   3   6.655  -1.491   7.285
   23    H    GLU   4           H        GLU   4   5.383  -4.985   8.173
   24    HA   GLU   4           HA       GLU   4   7.497  -5.869   6.427
   25   1HB   GLU   4          2HB       GLU   4   6.962  -6.702   8.800
   26   2HB   GLU   4          1HB       GLU   4   5.700  -7.681   8.050
   27   1HG   GLU   4          2HG       GLU   4   7.657  -9.069   8.195
   28   2HG   GLU   4          1HG       GLU   4   7.483  -8.606   6.502
   29    H    ASP   5           H        ASP   5   4.074  -6.876   6.707
   30    HA   ASP   5           HA       ASP   5   4.193  -8.443   4.261
   31   1HB   ASP   5          2HB       ASP   5   1.779  -7.407   5.781
   32   2HB   ASP   5          1HB       ASP   5   1.768  -8.679   4.559
   33    H    PHE   6           H        PHE   6   2.746  -5.301   5.144
   34    HA   PHE   6           HA       PHE   6   1.647  -4.595   2.661
   35   1HB   PHE   6          2HB       PHE   6   1.373  -3.228   4.690
   36   2HB   PHE   6          1HB       PHE   6   3.081  -2.794   4.639
   37    HD1  PHE   6           1HD      PHE   6  -0.230  -2.111   3.323
   38    HD2  PHE   6           2HD      PHE   6   3.970  -1.489   2.669
   39    HE1  PHE   6           1HE      PHE   6  -0.747  -0.248   1.769
   40    HE2  PHE   6           2HE      PHE   6   3.451   0.375   1.115
   41    HZ   PHE   6           HZ       PHE   6   1.093   0.995   0.666
   42    H    ARG   7           H        ARG   7   4.907  -3.645   3.815
   43    HA   ARG   7           HA       ARG   7   5.842  -2.499   1.442
   44   1HB   ARG   7          2HB       ARG   7   7.063  -2.522   3.626
   45   2HB   ARG   7          1HB       ARG   7   7.483  -4.210   3.336
   46   1HG   ARG   7          2HG       ARG   7   8.627  -3.563   1.242
   47   2HG   ARG   7          1HG       ARG   7   8.219  -1.874   1.546
   48   1HD   ARG   7          2HD       ARG   7   9.386  -2.666   3.927
   49   2HD   ARG   7          1HD       ARG   7  10.345  -3.517   2.718
   50    HE   ARG   7           HE       ARG   7  10.617  -0.777   3.267
   51   1HH1  ARG   7          1HH2      ARG   7   9.897  -2.823   0.587
   52   2HH1  ARG   7          2HH2      ARG   7  10.602  -1.757  -0.584
   53   1HH2  ARG   7          1HH1      ARG   7  11.540   0.622   1.757
   54   2HH2  ARG   7          2HH1      ARG   7  11.532   0.193   0.078
   55    H    ALA   8           H        ALA   8   5.691  -5.930   2.309
   56    HA   ALA   8           HA       ALA   8   7.178  -6.894   0.048
   57   1HB   ALA   8          1HB       ALA   8   6.266  -9.065   0.613
   58   2HB   ALA   8          2HB       ALA   8   4.972  -8.328   1.557
   59   3HB   ALA   8          3HB       ALA   8   6.643  -8.223   2.114
   60    H    VAL   9           H        VAL   9   3.814  -5.951   0.473
   61    HA   VAL   9           HA       VAL   9   2.828  -7.253  -1.902
   62    HB   VAL   9           HB       VAL   9   1.765  -4.899  -0.322
   63   1HG1  VAL   9          1HG1      VAL   9   0.809  -4.701  -2.498
   64   2HG1  VAL   9          2HG1      VAL   9  -0.398  -5.555  -1.536
   65   3HG1  VAL   9          3HG1      VAL   9   0.631  -6.448  -2.658
   66   1HG2  VAL   9          1HG2      VAL   9   0.736  -7.741  -0.464
   67   2HG2  VAL   9          2HG2      VAL   9   0.337  -6.501   0.724
   68   3HG2  VAL   9          3HG2      VAL   9   1.938  -7.240   0.724
   69   1HN   PF5  10          H         PF5  10   3.859  -3.862  -1.308
   70    HA   PF5  10           HA       PF5  10   3.752  -3.466  -4.262
   71   1HB   PF5  10          1HB       PF5  10   3.614  -1.106  -3.812
   72   2HB   PF5  10          2HB       PF5  10   4.033  -1.354  -2.112
   73    H    GLY  11           H        GLY  11   5.954  -3.738  -1.613
   74   1HA   GLY  11          2HA       GLY  11   8.311  -4.056  -1.866
   75   2HA   GLY  11          1HA       GLY  11   8.194  -3.421  -3.507
   76    H    MET  12           H        MET  12   6.564  -1.546  -1.151
   77    HA   MET  12           HA       MET  12   8.923   0.188  -0.685
   78   1HB   MET  12          2HB       MET  12   7.581   2.200  -1.391
   79   2HB   MET  12          1HB       MET  12   8.000   1.121  -2.722
   80   1HG   MET  12          2HG       MET  12   5.788   0.097  -2.647
   81   2HG   MET  12          1HG       MET  12   5.360   1.060  -1.232
   82   1HE   MET  12          1HE       MET  12   6.680   0.949  -4.643
   83   2HE   MET  12          2HE       MET  12   6.119   2.376  -5.510
   84   3HE   MET  12          3HE       MET  12   4.999   1.057  -5.181
   85    H    THR  13           H        THR  13   8.419   1.876   0.975
   86    HA   THR  13           HA       THR  13   6.850   0.717   3.132
   87    HB   THR  13           HB       THR  13   7.441   2.971   4.245
   88    HG1  THR  13           1HG      THR  13   8.797   3.121   1.773
   89   1HG2  THR  13          1HG2      THR  13   8.691   0.848   4.582
   90   2HG2  THR  13          2HG2      THR  13   9.747   2.260   4.628
   91   3HG2  THR  13          3HG2      THR  13   9.695   1.244   3.187
   92    H    ARG  14           H        ARG  14   4.998   1.749   4.148
   93    HA   ARG  14           HA       ARG  14   2.960   2.584   2.385
   94   1HB   ARG  14          2HB       ARG  14   3.279   3.178   5.342
   95   2HB   ARG  14          1HB       ARG  14   1.789   3.409   4.428
   96   1HG   ARG  14          2HG       ARG  14   1.912   0.965   3.784
   97   2HG   ARG  14          1HG       ARG  14   3.238   0.798   4.936
   98   1HD   ARG  14          2HD       ARG  14   1.225   0.181   6.115
   99   2HD   ARG  14          1HD       ARG  14   1.695   1.771   6.702
  100    HE   ARG  14           HE       ARG  14  -0.038   2.284   4.577
  101   1HH1  ARG  14          1HH2      ARG  14  -0.116   0.434   7.494
  102   2HH1  ARG  14          2HH2      ARG  14  -1.814   0.669   7.750
  103   1HH2  ARG  14          1HH1      ARG  14  -2.253   2.588   4.897
  104   2HH2  ARG  14          2HH1      ARG  14  -3.020   1.888   6.282
  105    H    SER  15           H        SER  15   5.506   4.445   3.928
  106    HA   SER  15           HA       SER  15   4.378   7.044   3.723
  107   1HB   SER  15          2HB       SER  15   7.287   6.294   3.299
  108   2HB   SER  15          1HB       SER  15   6.670   7.878   3.758
  109    HG   SER  15           HG       SER  15   6.335   5.478   5.244
  110    H    ALA  16           H        ALA  16   6.215   5.131   1.348
  111    HA   ALA  16           HA       ALA  16   6.052   7.191  -0.700
  112   1HB   ALA  16          1HB       ALA  16   7.131   5.626  -2.121
  113   2HB   ALA  16          2HB       ALA  16   6.528   4.250  -1.196
  114   3HB   ALA  16          3HB       ALA  16   7.783   5.287  -0.518
  115    H    PHE  17           H        PHE  17   4.354   4.113  -0.077
  116    HA   PHE  17           HA       PHE  17   2.644   4.182  -2.346
  117   1HB   PHE  17          2HB       PHE  17   2.969   2.290  -0.624
  118   2HB   PHE  17          1HB       PHE  17   1.782   3.148   0.360
  119    HD1  PHE  17           1HD      PHE  17   2.313   1.744  -3.069
  120    HD2  PHE  17           2HD      PHE  17  -0.520   2.874  -0.043
  121    HE1  PHE  17           1HE      PHE  17   0.479   0.758  -4.417
  122    HE2  PHE  17           2HE      PHE  17  -2.353   1.889  -1.392
  123    HZ   PHE  17           HZ       PHE  17  -1.854   0.831  -3.579
  124    H    ALA  18           H        ALA  18   2.376   5.730   0.828
  125    HA   ALA  18           HA       ALA  18  -0.305   6.639   0.641
  126   1HB   ALA  18          1HB       ALA  18   0.411   8.440   2.203
  127   2HB   ALA  18          2HB       ALA  18   2.094   7.999   1.908
  128   3HB   ALA  18          3HB       ALA  18   1.010   6.857   2.703
  129    H    ASN  19           H        ASN  19   2.477   7.531  -1.164
  130    HA   ASN  19           HA       ASN  19   1.870  10.228  -1.834
  131   1HB   ASN  19          2HB       ASN  19   3.205   8.088  -3.521
  132   2HB   ASN  19          1HB       ASN  19   3.259   9.821  -3.846
  133   1HD2  ASN  19          1HD2      ASN  19   3.216   9.473  -0.514
  134   2HD2  ASN  19          2HD2      ASN  19   4.886   9.514  -0.219
  135    H    LEU  20           H        LEU  20   0.624   7.178  -3.124
  136    HA   LEU  20           HA       LEU  20  -0.682   8.277  -5.435
  137   1HB   LEU  20          2HB       LEU  20  -1.478   5.853  -3.794
  138   2HB   LEU  20          1HB       LEU  20  -1.959   6.189  -5.457
  139    HG   LEU  20           HG       LEU  20   0.903   5.814  -4.529
  140   1HD1  LEU  20          1HD1      LEU  20  -0.093   3.674  -4.398
  141   2HD1  LEU  20          2HD1      LEU  20   0.618   3.709  -6.012
  142   3HD1  LEU  20          3HD1      LEU  20  -1.115   3.969  -5.805
  143   1HD2  LEU  20          1HD2      LEU  20  -0.419   6.439  -7.157
  144   2HD2  LEU  20          2HD2      LEU  20   1.081   5.513  -7.138
  145   3HD2  LEU  20          3HD2      LEU  20   1.039   7.138  -6.454
  146    HA   PRO  21           HA       PRO  21  -4.185  10.539  -3.974
  147   1HB   PRO  21          2HB       PRO  21  -5.752   8.585  -5.647
  148   2HB   PRO  21          1HB       PRO  21  -5.907  10.353  -5.547
  149   1HG   PRO  21          2HG       PRO  21  -4.641   9.278  -7.583
  150   2HG   PRO  21          1HG       PRO  21  -3.981  10.721  -6.790
  151   1HD   PRO  21          2HD       PRO  21  -3.035   7.884  -6.615
  152   2HD   PRO  21          1HD       PRO  21  -2.094   9.390  -6.564
  153    H    LEU  22           H        LEU  22  -5.553  10.382  -2.222
  154    HA   LEU  22           HA       LEU  22  -5.481   8.143  -0.506
  155   1HB   LEU  22          2HB       LEU  22  -7.574  10.330  -0.657
  156   2HB   LEU  22          1HB       LEU  22  -7.312   9.261   0.721
  157    HG   LEU  22           HG       LEU  22  -5.256  11.172  -0.432
  158   1HD1  LEU  22          1HD1      LEU  22  -7.075  12.335   0.755
  159   2HD1  LEU  22          2HD1      LEU  22  -5.585  12.393   1.698
  160   3HD1  LEU  22          3HD1      LEU  22  -6.865  11.264   2.140
  161   1HD2  LEU  22          1HD2      LEU  22  -4.255  10.502   1.941
  162   2HD2  LEU  22          2HD2      LEU  22  -3.959   9.499   0.522
  163   3HD2  LEU  22          3HD2      LEU  22  -5.210   9.044   1.677
  164    H    TRP  23           H        TRP  23  -7.941   9.030  -2.923
  165    HA   TRP  23           HA       TRP  23  -9.725   6.868  -2.188
  166   1HB   TRP  23          2HB       TRP  23 -10.991   7.491  -4.141
  167   2HB   TRP  23          1HB       TRP  23 -10.402   8.979  -3.399
  168    HD1  TRP  23           HD       TRP  23  -8.853  10.490  -4.794
  169    HE1  TRP  23           1HE      TRP  23  -7.844  10.346  -7.162
  170    HE3  TRP  23           3HE      TRP  23 -10.052   5.669  -5.973
  171    HZ2  TRP  23           2HZ      TRP  23  -7.580   8.438  -9.277
  172    HZ3  TRP  23           3HZ      TRP  23  -9.412   4.715  -8.168
  173    HH2  TRP  23           HH       TRP  23  -8.179   6.091  -9.821
  174    H    ARG  24           H        ARG  24  -7.010   7.167  -4.397
  175    HA   ARG  24           HA       ARG  24  -7.613   4.766  -5.905
  176   1HB   ARG  24          2HB       ARG  24  -6.152   6.595  -6.761
  177   2HB   ARG  24          1HB       ARG  24  -4.947   6.159  -5.547
  178   1HG   ARG  24          2HG       ARG  24  -4.745   3.919  -6.495
  179   2HG   ARG  24          1HG       ARG  24  -6.027   4.266  -7.656
  180   1HD   ARG  24          2HD       ARG  24  -4.455   5.040  -9.066
  181   2HD   ARG  24          1HD       ARG  24  -4.162   6.362  -7.933
  182    HE   ARG  24           HE       ARG  24  -2.666   4.300  -6.882
  183   1HH1  ARG  24          1HH2      ARG  24  -3.021   5.745  -9.991
  184   2HH1  ARG  24          2HH2      ARG  24  -1.373   5.477 -10.452
  185   1HH2  ARG  24          1HH1      ARG  24  -0.510   3.942  -7.464
  186   2HH2  ARG  24          2HH1      ARG  24   0.049   4.456  -9.020
  187    H    GLN  25           H        GLN  25  -5.266   5.448  -3.274
  188    HA   GLN  25           HA       GLN  25  -4.092   2.927  -3.076
  189   1HB   GLN  25          2HB       GLN  25  -3.954   3.419  -0.567
  190   2HB   GLN  25          1HB       GLN  25  -3.266   4.634  -1.646
  191   1HG   GLN  25          2HG       GLN  25  -5.346   5.954  -1.507
  192   2HG   GLN  25          1HG       GLN  25  -6.050   4.739  -0.438
  193   1HE2  GLN  25          1HE2      GLN  25  -3.400   7.130  -0.656
  194   2HE2  GLN  25          2HE2      GLN  25  -3.187   7.286   1.021
  195    H    GLN  26           H        GLN  26  -7.208   3.946  -1.627
  196    HA   GLN  26           HA       GLN  26  -7.778   1.419  -0.397
  197   1HB   GLN  26          2HB       GLN  26  -9.668   3.519  -1.504
  198   2HB   GLN  26          1HB       GLN  26 -10.165   2.157  -0.501
  199   1HG   GLN  26          2HG       GLN  26  -8.667   2.950   1.304
  200   2HG   GLN  26          1HG       GLN  26  -8.208   4.329   0.305
  201   1HE2  GLN  26          1HE2      GLN  26  -9.417   4.854   2.780
  202   2HE2  GLN  26          2HE2      GLN  26 -10.992   5.436   2.538
  203    H    ASN  27           H        ASN  27  -8.259   2.680  -3.651
  204    HA   ASN  27           HA       ASN  27  -9.849   0.513  -4.660
  205   1HB   ASN  27          2HB       ASN  27  -9.415   2.801  -5.742
  206   2HB   ASN  27          1HB       ASN  27  -7.871   2.137  -6.277
  207   1HD2  ASN  27          1HD2      ASN  27  -9.401   2.775  -8.380
  208   2HD2  ASN  27          2HD2      ASN  27 -10.183   1.427  -9.054
  209    H    LEU  28           H        LEU  28  -6.331   1.148  -4.902
  210    HA   LEU  28           HA       LEU  28  -5.750  -1.413  -6.105
  211   1HB   LEU  28          2HB       LEU  28  -3.886   0.416  -4.564
  212   2HB   LEU  28          1HB       LEU  28  -3.412  -0.848  -5.697
  213    HG   LEU  28           HG       LEU  28  -5.004   1.644  -6.373
  214   1HD1  LEU  28          1HD1      LEU  28  -2.639   2.120  -5.997
  215   2HD1  LEU  28          2HD1      LEU  28  -2.968   2.169  -7.729
  216   3HD1  LEU  28          3HD1      LEU  28  -2.174   0.761  -7.023
  217   1HD2  LEU  28          1HD2      LEU  28  -4.417   0.709  -8.756
  218   2HD2  LEU  28          2HD2      LEU  28  -5.795   0.034  -7.885
  219   3HD2  LEU  28          3HD2      LEU  28  -4.260  -0.833  -7.914
  220    H    ARG  29           H        ARG  29  -5.885  -0.251  -2.766
  221    HA   ARG  29           HA       ARG  29  -4.594  -2.598  -1.662
  222   1HB   ARG  29          2HB       ARG  29  -6.241  -0.369  -0.466
  223   2HB   ARG  29          1HB       ARG  29  -5.647  -1.716   0.508
  224   1HG   ARG  29          2HG       ARG  29  -3.339  -1.217  -0.171
  225   2HG   ARG  29          1HG       ARG  29  -3.912   0.102  -1.193
  226   1HD   ARG  29          2HD       ARG  29  -4.298  -0.058   1.811
  227   2HD   ARG  29          1HD       ARG  29  -3.082   0.923   0.999
  228    HE   ARG  29           HE       ARG  29  -5.476   1.705  -0.171
  229   1HH1  ARG  29          1HH2      ARG  29  -4.204   1.437   3.025
  230   2HH1  ARG  29          2HH2      ARG  29  -5.145   2.751   3.649
  231   1HH2  ARG  29          1HH1      ARG  29  -6.707   3.418   0.626
  232   2HH2  ARG  29          2HH1      ARG  29  -6.561   3.873   2.290
  233    H    ARG  30           H        ARG  30  -8.032  -1.614  -1.967
  234    HA   ARG  30           HA       ARG  30  -9.012  -4.034  -0.727
  235   1HB   ARG  30          2HB       ARG  30 -10.289  -1.963  -2.520
  236   2HB   ARG  30          1HB       ARG  30 -11.178  -3.382  -1.960
  237   1HG   ARG  30          2HG       ARG  30 -10.689  -2.759   0.382
  238   2HG   ARG  30          1HG       ARG  30  -9.811  -1.337  -0.182
  239   1HD   ARG  30          2HD       ARG  30 -12.747  -1.906  -0.688
  240   2HD   ARG  30          1HD       ARG  30 -12.113  -0.742   0.473
  241    HE   ARG  30           HE       ARG  30 -10.962   0.028  -1.925
  242   1HH1  ARG  30          1HH2      ARG  30 -14.150  -0.629  -0.783
  243   2HH1  ARG  30          2HH2      ARG  30 -14.907   0.510  -1.846
  244   1HH2  ARG  30          1HH1      ARG  30 -11.931   1.516  -3.316
  245   2HH2  ARG  30          2HH1      ARG  30 -13.650   1.726  -3.280
  246    H    GLU  31           H        GLU  31  -8.130  -3.140  -4.016
  247    HA   GLU  31           HA       GLU  31  -9.303  -5.343  -5.398
  248   1HB   GLU  31          2HB       GLU  31  -8.200  -3.329  -6.461
  249   2HB   GLU  31          1HB       GLU  31  -6.640  -4.030  -6.033
  250   1HG   GLU  31          2HG       GLU  31  -7.252  -6.077  -7.325
  251   2HG   GLU  31          1HG       GLU  31  -8.744  -5.279  -7.823
  252    H    ARG  32           H        ARG  32  -6.552  -5.116  -3.283
  253    HA   ARG  32           HA       ARG  32  -5.684  -7.859  -4.061
  254   1HB   ARG  32          2HB       ARG  32  -4.294  -5.650  -2.530
  255   2HB   ARG  32          1HB       ARG  32  -3.638  -7.279  -2.694
  256   1HG   ARG  32          2HG       ARG  32  -3.667  -7.060  -5.143
  257   2HG   ARG  32          1HG       ARG  32  -4.354  -5.442  -4.998
  258   1HD   ARG  32          2HD       ARG  32  -2.298  -4.881  -3.557
  259   2HD   ARG  32          1HD       ARG  32  -1.606  -6.384  -4.167
  260    HE   ARG  32           HE       ARG  32  -1.764  -3.927  -5.634
  261   1HH1  ARG  32          1HH2      ARG  32  -2.226  -7.334  -5.888
  262   2HH1  ARG  32          2HH2      ARG  32  -1.863  -7.390  -7.581
  263   1HH2  ARG  32          1HH1      ARG  32  -1.290  -3.981  -7.842
  264   2HH2  ARG  32          2HH1      ARG  32  -1.334  -5.491  -8.687
  265    H    GLY  33           H        GLY  33  -7.782  -6.555  -1.916
  266   1HA   GLY  33          2HA       GLY  33  -8.833  -7.732  -0.123
  267   2HA   GLY  33          1HA       GLY  33  -7.482  -8.866  -0.112
  268    H    LEU  34           H        LEU  34  -7.033  -5.374  -0.013
  269    HA   LEU  34           HA       LEU  34  -6.205  -5.647   2.850
  270   1HB   LEU  34          2HB       LEU  34  -4.864  -3.913   0.754
  271   2HB   LEU  34          1HB       LEU  34  -4.351  -4.126   2.428
  272    HG   LEU  34           HG       LEU  34  -4.548  -6.395   0.432
  273   1HD1  LEU  34          1HD1      LEU  34  -2.243  -4.609   1.227
  274   2HD1  LEU  34          2HD1      LEU  34  -2.804  -5.006  -0.397
  275   3HD1  LEU  34          3HD1      LEU  34  -1.984  -6.227   0.576
  276   1HD2  LEU  34          1HD2      LEU  34  -3.561  -6.085   3.264
  277   2HD2  LEU  34          2HD2      LEU  34  -2.922  -7.362   2.228
  278   3HD2  LEU  34          3HD2      LEU  34  -4.646  -7.309   2.602
  279    H    PHE  35           H        PHE  35  -6.868  -3.982   4.202
  280    HA   PHE  35           HA       PHE  35  -8.224  -2.188   4.883
  281   1HB   PHE  35          2HB       PHE  35  -6.977  -1.152   2.332
  282   2HB   PHE  35          1HB       PHE  35  -8.022  -0.151   3.340
  283    HD1  PHE  35           1HD      PHE  35  -4.801  -1.947   3.166
  284    HD2  PHE  35           2HD      PHE  35  -7.316   0.600   5.540
  285    HE1  PHE  35           1HE      PHE  35  -2.893  -1.474   4.679
  286    HE2  PHE  35           2HE      PHE  35  -5.408   1.074   7.054
  287    HZ   PHE  35           HZ       PHE  35  -3.197   0.036   6.623
  Start of MODEL    6
    1   1H    LEU   1          1HT       LEU   1   1.586   0.053  11.326
    2   2H    LEU   1          2HT       LEU   1   2.167  -0.476   9.820
    3   3H    LEU   1          3HT       LEU   1   3.146  -0.600  11.202
    4    HA   LEU   1           HA       LEU   1   1.616  -2.202  12.174
    5   1HB   LEU   1          2HB       LEU   1   0.227  -2.133   9.484
    6   2HB   LEU   1          1HB       LEU   1  -0.271  -3.008  10.932
    7    HG   LEU   1           HG       LEU   1  -0.138   0.009  10.654
    8   1HD1  LEU   1          1HD1      LEU   1  -2.614  -0.159  10.864
    9   2HD1  LEU   1          2HD1      LEU   1  -2.478  -1.916  10.810
   10   3HD1  LEU   1          3HD1      LEU   1  -2.013  -0.952   9.409
   11   1HD2  LEU   1          1HD2      LEU   1   0.292  -0.453  12.928
   12   2HD2  LEU   1          2HD2      LEU   1  -0.771  -1.860  12.937
   13   3HD2  LEU   1          3HD2      LEU   1  -1.458  -0.235  12.883
   14    H    SER   2           H        SER   2   0.938  -3.891   9.520
   15    HA   SER   2           HA       SER   2   3.339  -5.481   9.653
   16   1HB   SER   2          2HB       SER   2   2.280  -6.913   8.143
   17   2HB   SER   2          1HB       SER   2   0.902  -6.121   8.901
   18    HG   SER   2           HG       SER   2   0.816  -4.706   7.147
   19    H    ASP   3           H        ASP   3   4.440  -3.104   9.208
   20    HA   ASP   3           HA       ASP   3   4.682  -2.164   6.549
   21   1HB   ASP   3          2HB       ASP   3   6.762  -2.225   8.758
   22   2HB   ASP   3          1HB       ASP   3   6.903  -1.280   7.274
   23    H    GLU   4           H        GLU   4   6.210  -4.887   8.182
   24    HA   GLU   4           HA       GLU   4   8.147  -5.455   6.125
   25   1HB   GLU   4          2HB       GLU   4   8.085  -6.379   8.523
   26   2HB   GLU   4          1HB       GLU   4   6.864  -7.509   7.936
   27   1HG   GLU   4          2HG       GLU   4   8.985  -8.624   7.753
   28   2HG   GLU   4          1HG       GLU   4   8.501  -8.173   6.117
   29    H    ASP   5           H        ASP   5   4.957  -6.901   6.858
   30    HA   ASP   5           HA       ASP   5   4.887  -8.508   4.470
   31   1HB   ASP   5          2HB       ASP   5   3.460  -8.759   6.599
   32   2HB   ASP   5          1HB       ASP   5   2.455  -7.472   5.933
   33    H    PHE   6           H        PHE   6   3.537  -5.318   5.290
   34    HA   PHE   6           HA       PHE   6   2.126  -4.798   2.911
   35   1HB   PHE   6          2HB       PHE   6   2.064  -3.295   4.857
   36   2HB   PHE   6          1HB       PHE   6   3.752  -2.860   4.586
   37    HD1  PHE   6           1HD      PHE   6   0.301  -2.510   3.356
   38    HD2  PHE   6           2HD      PHE   6   4.413  -1.459   2.693
   39    HE1  PHE   6           1HE      PHE   6  -0.406  -0.757   1.749
   40    HE2  PHE   6           2HE      PHE   6   3.706   0.293   1.085
   41    HZ   PHE   6           HZ       PHE   6   1.297   0.643   0.613
   42    H    ARG   7           H        ARG   7   5.483  -3.752   3.613
   43    HA   ARG   7           HA       ARG   7   6.129  -2.750   1.090
   44   1HB   ARG   7          2HB       ARG   7   7.598  -2.679   3.124
   45   2HB   ARG   7          1HB       ARG   7   7.999  -4.373   2.842
   46   1HG   ARG   7          2HG       ARG   7   8.864  -3.786   0.598
   47   2HG   ARG   7          1HG       ARG   7   8.489  -2.089   0.906
   48   1HD   ARG   7          2HD       ARG   7   9.952  -2.843   3.143
   49   2HD   ARG   7          1HD       ARG   7  10.762  -3.682   1.824
   50    HE   ARG   7           HE       ARG   7  11.053  -0.936   2.328
   51   1HH1  ARG   7          1HH2      ARG   7  10.037  -3.008  -0.235
   52   2HH1  ARG   7          2HH2      ARG   7  10.569  -1.937  -1.488
   53   1HH2  ARG   7          1HH1      ARG   7  11.752   0.472   0.708
   54   2HH2  ARG   7          2HH1      ARG   7  11.539   0.033  -0.954
   55    H    ALA   8           H        ALA   8   6.029  -6.126   2.132
   56    HA   ALA   8           HA       ALA   8   7.263  -7.210  -0.236
   57   1HB   ALA   8          1HB       ALA   8   5.279  -8.536   1.633
   58   2HB   ALA   8          2HB       ALA   8   7.017  -8.449   1.924
   59   3HB   ALA   8          3HB       ALA   8   6.396  -9.353   0.542
   60    H    VAL   9           H        VAL   9   3.992  -6.192   0.525
   61    HA   VAL   9           HA       VAL   9   2.806  -7.613  -1.733
   62    HB   VAL   9           HB       VAL   9   1.729  -5.455   0.097
   63   1HG1  VAL   9          1HG1      VAL   9  -0.496  -6.281  -0.888
   64   2HG1  VAL   9          2HG1      VAL   9   0.470  -6.991  -2.182
   65   3HG1  VAL   9          3HG1      VAL   9   0.488  -5.246  -1.922
   66   1HG2  VAL   9          1HG2      VAL   9   1.327  -8.457  -0.084
   67   2HG2  VAL   9          2HG2      VAL   9   0.381  -7.393   0.957
   68   3HG2  VAL   9          3HG2      VAL   9   2.115  -7.577   1.225
   69   1HN   PF5  10          H         PF5  10   3.467  -4.138  -1.067
   70    HA   PF5  10           HA       PF5  10   2.941  -3.624  -3.950
   71   1HB   PF5  10          1HB       PF5  10   2.695  -1.299  -3.326
   72   2HB   PF5  10          2HB       PF5  10   3.331  -1.623  -1.708
   73    H    GLY  11           H        GLY  11   5.551  -4.131  -1.870
   74   1HA   GLY  11          2HA       GLY  11   7.856  -4.035  -2.355
   75   2HA   GLY  11          1HA       GLY  11   7.443  -3.433  -3.961
   76    H    MET  12           H        MET  12   6.081  -1.763  -1.256
   77    HA   MET  12           HA       MET  12   8.258   0.233  -1.199
   78   1HB   MET  12          2HB       MET  12   6.599   0.764  -3.114
   79   2HB   MET  12          1HB       MET  12   5.458   1.166  -1.830
   80   1HG   MET  12          2HG       MET  12   6.929   2.861  -0.950
   81   2HG   MET  12          1HG       MET  12   8.233   2.361  -2.026
   82   1HE   MET  12          1HE       MET  12   4.327   4.475  -2.987
   83   2HE   MET  12          2HE       MET  12   4.724   3.396  -1.653
   84   3HE   MET  12          3HE       MET  12   4.307   2.722  -3.226
   85    H    THR  13           H        THR  13   7.857   1.868   0.532
   86    HA   THR  13           HA       THR  13   6.679   0.579   2.873
   87    HB   THR  13           HB       THR  13   7.327   2.873   3.917
   88    HG1  THR  13           1HG      THR  13   8.977   3.063   1.666
   89   1HG2  THR  13          1HG2      THR  13   9.425   1.089   2.652
   90   2HG2  THR  13          2HG2      THR  13   8.634   0.807   4.203
   91   3HG2  THR  13          3HG2      THR  13   9.700   2.196   3.997
   92    H    ARG  14           H        ARG  14   4.903   1.426   4.106
   93    HA   ARG  14           HA       ARG  14   2.688   2.374   2.588
   94   1HB   ARG  14          2HB       ARG  14   3.170   2.544   5.579
   95   2HB   ARG  14          1HB       ARG  14   1.613   2.780   4.786
   96   1HG   ARG  14          2HG       ARG  14   1.879   0.461   3.794
   97   2HG   ARG  14          1HG       ARG  14   3.272   0.247   4.855
   98   1HD   ARG  14          2HD       ARG  14   0.431   0.840   5.746
   99   2HD   ARG  14          1HD       ARG  14   1.280  -0.687   5.930
  100    HE   ARG  14           HE       ARG  14   2.934   1.141   7.198
  101   1HH1  ARG  14          1HH2      ARG  14  -0.423   0.332   7.354
  102   2HH1  ARG  14          2HH2      ARG  14  -0.564   0.694   9.042
  103   1HH2  ARG  14          1HH1      ARG  14   2.757   1.623   9.397
  104   2HH2  ARG  14          2HH1      ARG  14   1.234   1.422  10.196
  105    H    SER  15           H        SER  15   5.259   4.084   4.265
  106    HA   SER  15           HA       SER  15   4.011   6.626   4.536
  107   1HB   SER  15          2HB       SER  15   6.243   7.541   4.690
  108   2HB   SER  15          1HB       SER  15   6.263   5.964   5.474
  109    HG   SER  15           HG       SER  15   7.873   6.701   3.647
  110    H    ALA  16           H        ALA  16   6.014   5.356   1.860
  111    HA   ALA  16           HA       ALA  16   5.510   7.666   0.177
  112   1HB   ALA  16          1HB       ALA  16   7.434   5.850   0.090
  113   2HB   ALA  16          2HB       ALA  16   6.859   6.607  -1.395
  114   3HB   ALA  16          3HB       ALA  16   6.291   4.998  -0.948
  115    H    PHE  17           H        PHE  17   3.990   4.534   0.674
  116    HA   PHE  17           HA       PHE  17   2.408   4.383  -1.671
  117   1HB   PHE  17          2HB       PHE  17   2.656   2.680   0.273
  118   2HB   PHE  17          1HB       PHE  17   1.352   3.586   1.041
  119    HD1  PHE  17           1HD      PHE  17   2.273   1.811  -2.116
  120    HD2  PHE  17           2HD      PHE  17  -0.896   3.232   0.412
  121    HE1  PHE  17           1HE      PHE  17   0.614   0.620  -3.525
  122    HE2  PHE  17           2HE      PHE  17  -2.554   2.042  -0.997
  123    HZ   PHE  17           HZ       PHE  17  -1.798   0.736  -2.965
  124    H    ALA  18           H        ALA  18   1.982   6.269   1.282
  125    HA   ALA  18           HA       ALA  18  -0.716   7.104   0.798
  126   1HB   ALA  18          1HB       ALA  18   1.567   8.419   2.298
  127   2HB   ALA  18          2HB       ALA  18   0.249   7.466   2.980
  128   3HB   ALA  18          3HB       ALA  18  -0.078   9.054   2.287
  129    H    ASN  19           H        ASN  19   2.207   7.838  -0.802
  130    HA   ASN  19           HA       ASN  19   1.694  10.525  -1.646
  131   1HB   ASN  19          2HB       ASN  19   3.233   8.325  -3.058
  132   2HB   ASN  19          1HB       ASN  19   3.329  10.045  -3.434
  133   1HD2  ASN  19          1HD2      ASN  19   5.664   8.661  -2.608
  134   2HD2  ASN  19          2HD2      ASN  19   6.109   9.205  -1.062
  135    H    LEU  20           H        LEU  20   0.651   7.394  -2.925
  136    HA   LEU  20           HA       LEU  20  -0.379   8.372  -5.427
  137   1HB   LEU  20          2HB       LEU  20  -1.406   6.005  -3.837
  138   2HB   LEU  20          1HB       LEU  20  -1.520   6.250  -5.580
  139    HG   LEU  20           HG       LEU  20   1.082   5.979  -4.047
  140   1HD1  LEU  20          1HD1      LEU  20  -0.603   4.017  -5.604
  141   2HD1  LEU  20          2HD1      LEU  20   0.086   3.832  -3.990
  142   3HD1  LEU  20          3HD1      LEU  20   1.133   3.782  -5.407
  143   1HD2  LEU  20          1HD2      LEU  20   1.554   7.215  -5.998
  144   2HD2  LEU  20          2HD2      LEU  20   0.345   6.350  -6.948
  145   3HD2  LEU  20          3HD2      LEU  20   1.852   5.552  -6.501
  146    HA   PRO  21           HA       PRO  21  -4.077  10.603  -4.524
  147   1HB   PRO  21          2HB       PRO  21  -5.399   8.497  -6.226
  148   2HB   PRO  21          1HB       PRO  21  -5.619  10.260  -6.252
  149   1HG   PRO  21          2HG       PRO  21  -4.106   9.118  -8.070
  150   2HG   PRO  21          1HG       PRO  21  -3.582  10.628  -7.302
  151   1HD   PRO  21          2HD       PRO  21  -2.566   7.847  -6.859
  152   2HD   PRO  21          1HD       PRO  21  -1.690   9.390  -6.783
  153    H    LEU  22           H        LEU  22  -5.479  10.522  -2.820
  154    HA   LEU  22           HA       LEU  22  -5.586   8.412  -0.994
  155   1HB   LEU  22          2HB       LEU  22  -6.328  10.739  -0.538
  156   2HB   LEU  22          1HB       LEU  22  -7.776  10.448  -1.502
  157    HG   LEU  22           HG       LEU  22  -8.352   8.551   0.029
  158   1HD1  LEU  22          1HD1      LEU  22  -6.385   7.834   1.043
  159   2HD1  LEU  22          2HD1      LEU  22  -7.064   8.837   2.325
  160   3HD1  LEU  22          3HD1      LEU  22  -5.790   9.476   1.285
  161   1HD2  LEU  22          1HD2      LEU  22  -7.969  11.312   1.222
  162   2HD2  LEU  22          2HD2      LEU  22  -8.920  10.045   1.996
  163   3HD2  LEU  22          3HD2      LEU  22  -9.414  10.683   0.428
  164    H    TRP  23           H        TRP  23  -7.929   9.095  -3.609
  165    HA   TRP  23           HA       TRP  23  -9.649   6.884  -2.940
  166   1HB   TRP  23          2HB       TRP  23 -10.734   7.320  -5.054
  167   2HB   TRP  23          1HB       TRP  23 -10.305   8.873  -4.336
  168    HD1  TRP  23           HD       TRP  23  -8.568  10.360  -5.565
  169    HE1  TRP  23           1HE      TRP  23  -7.353  10.179  -7.833
  170    HE3  TRP  23           3HE      TRP  23  -9.689   5.529  -6.783
  171    HZ2  TRP  23           2HZ      TRP  23  -6.915   8.239  -9.891
  172    HZ3  TRP  23           3HZ      TRP  23  -8.861   4.542  -8.899
  173    HH2  TRP  23           HH       TRP  23  -7.477   5.889 -10.454
  174    H    ARG  24           H        ARG  24  -6.932   7.225  -5.210
  175    HA   ARG  24           HA       ARG  24  -7.233   4.690  -6.483
  176   1HB   ARG  24          2HB       ARG  24  -5.753   6.501  -7.320
  177   2HB   ARG  24          1HB       ARG  24  -4.666   6.212  -5.961
  178   1HG   ARG  24          2HG       ARG  24  -4.288   3.914  -6.707
  179   2HG   ARG  24          1HG       ARG  24  -5.439   4.131  -8.026
  180   1HD   ARG  24          2HD       ARG  24  -3.758   4.894  -9.307
  181   2HD   ARG  24          1HD       ARG  24  -3.603   6.274  -8.217
  182    HE   ARG  24           HE       ARG  24  -2.192   4.299  -6.917
  183   1HH1  ARG  24          1HH2      ARG  24  -2.248   5.579 -10.117
  184   2HH1  ARG  24          2HH2      ARG  24  -0.558   5.320 -10.394
  185   1HH2  ARG  24          1HH1      ARG  24   0.018   3.954  -7.259
  186   2HH2  ARG  24          2HH1      ARG  24   0.726   4.400  -8.774
  187    H    GLN  25           H        GLN  25  -5.325   5.613  -3.598
  188    HA   GLN  25           HA       GLN  25  -4.008   3.186  -3.148
  189   1HB   GLN  25          2HB       GLN  25  -5.245   5.030  -1.085
  190   2HB   GLN  25          1HB       GLN  25  -4.062   3.769  -0.731
  191   1HG   GLN  25          2HG       GLN  25  -2.396   4.850  -2.125
  192   2HG   GLN  25          1HG       GLN  25  -3.575   6.033  -2.691
  193   1HE2  GLN  25          1HE2      GLN  25  -3.744   5.073   0.664
  194   2HE2  GLN  25          2HE2      GLN  25  -3.089   6.498   1.312
  195    H    GLN  26           H        GLN  26  -7.369   4.027  -2.252
  196    HA   GLN  26           HA       GLN  26  -7.914   1.504  -0.969
  197   1HB   GLN  26          2HB       GLN  26  -9.786   3.455  -2.347
  198   2HB   GLN  26          1HB       GLN  26 -10.311   2.088  -1.365
  199   1HG   GLN  26          2HG       GLN  26  -9.146   3.008   0.587
  200   2HG   GLN  26          1HG       GLN  26  -8.551   4.353  -0.385
  201   1HE2  GLN  26          1HE2      GLN  26 -10.219   4.762   1.933
  202   2HE2  GLN  26          2HE2      GLN  26 -11.702   5.400   1.406
  203    H    ASN  27           H        ASN  27  -8.132   2.669  -4.292
  204    HA   ASN  27           HA       ASN  27  -9.464   0.426  -5.440
  205   1HB   ASN  27          2HB       ASN  27  -8.930   2.668  -6.544
  206   2HB   ASN  27          1HB       ASN  27  -7.296   2.053  -6.791
  207   1HD2  ASN  27          1HD2      ASN  27  -6.993   0.964  -8.738
  208   2HD2  ASN  27          2HD2      ASN  27  -8.226   0.232  -9.647
  209    H    LEU  28           H        LEU  28  -5.956   1.114  -5.207
  210    HA   LEU  28           HA       LEU  28  -5.166  -1.479  -6.193
  211   1HB   LEU  28          2HB       LEU  28  -3.562   0.382  -4.420
  212   2HB   LEU  28          1HB       LEU  28  -2.934  -0.858  -5.503
  213    HG   LEU  28           HG       LEU  28  -4.406   1.666  -6.310
  214   1HD1  LEU  28          1HD1      LEU  28  -2.205   2.063  -7.511
  215   2HD1  LEU  28          2HD1      LEU  28  -1.553   0.693  -6.612
  216   3HD1  LEU  28          3HD1      LEU  28  -2.110   2.128  -5.751
  217   1HD2  LEU  28          1HD2      LEU  28  -3.664   0.765  -8.646
  218   2HD2  LEU  28          2HD2      LEU  28  -5.105   0.075  -7.899
  219   3HD2  LEU  28          3HD2      LEU  28  -3.574  -0.797  -7.835
  220    H    ARG  29           H        ARG  29  -5.824  -0.200  -2.959
  221    HA   ARG  29           HA       ARG  29  -4.792  -2.616  -1.663
  222   1HB   ARG  29          2HB       ARG  29  -6.273  -0.194  -0.623
  223   2HB   ARG  29          1HB       ARG  29  -5.774  -1.538   0.408
  224   1HG   ARG  29          2HG       ARG  29  -3.423  -1.207  -0.357
  225   2HG   ARG  29          1HG       ARG  29  -3.950   0.199  -1.283
  226   1HD   ARG  29          2HD       ARG  29  -4.270  -0.120   1.716
  227   2HD   ARG  29          1HD       ARG  29  -3.018   0.840   0.929
  228    HE   ARG  29           HE       ARG  29  -5.381   1.829  -0.130
  229   1HH1  ARG  29          1HH2      ARG  29  -4.086   1.274   3.020
  230   2HH1  ARG  29          2HH2      ARG  29  -4.943   2.591   3.746
  231   1HH2  ARG  29          1HH1      ARG  29  -6.504   3.548   0.802
  232   2HH2  ARG  29          2HH1      ARG  29  -6.312   3.879   2.490
  233    H    ARG  30           H        ARG  30  -8.049  -1.213  -2.221
  234    HA   ARG  30           HA       ARG  30  -9.475  -3.303  -0.902
  235   1HB   ARG  30          2HB       ARG  30 -10.468  -1.122  -1.687
  236   2HB   ARG  30          1HB       ARG  30 -10.424  -1.757  -3.332
  237   1HG   ARG  30          2HG       ARG  30 -11.858  -3.638  -2.666
  238   2HG   ARG  30          1HG       ARG  30 -11.870  -3.053  -1.002
  239   1HD   ARG  30          2HD       ARG  30 -12.940  -1.545  -3.405
  240   2HD   ARG  30          1HD       ARG  30 -13.917  -2.356  -2.182
  241    HE   ARG  30           HE       ARG  30 -12.342  -0.617  -0.714
  242   1HH1  ARG  30          1HH2      ARG  30 -14.437  -0.382  -3.444
  243   2HH1  ARG  30          2HH2      ARG  30 -14.934   1.239  -3.087
  244   1HH2  ARG  30          1HH1      ARG  30 -12.979   1.494  -0.235
  245   2HH2  ARG  30          2HH1      ARG  30 -14.108   2.301  -1.271
  246    H    GLU  31           H        GLU  31  -8.429  -2.969  -4.294
  247    HA   GLU  31           HA       GLU  31  -9.556  -5.446  -5.207
  248   1HB   GLU  31          2HB       GLU  31  -7.188  -3.813  -6.170
  249   2HB   GLU  31          1HB       GLU  31  -7.775  -5.246  -7.012
  250   1HG   GLU  31          2HG       GLU  31  -9.996  -4.199  -7.254
  251   2HG   GLU  31          1HG       GLU  31  -9.410  -2.765  -6.409
  252    H    ARG  32           H        ARG  32  -6.937  -4.748  -3.126
  253    HA   ARG  32           HA       ARG  32  -5.521  -7.274  -3.696
  254   1HB   ARG  32          2HB       ARG  32  -4.434  -5.000  -3.074
  255   2HB   ARG  32          1HB       ARG  32  -4.897  -5.406  -1.420
  256   1HG   ARG  32          2HG       ARG  32  -2.740  -6.311  -1.581
  257   2HG   ARG  32          1HG       ARG  32  -3.767  -7.703  -1.927
  258   1HD   ARG  32          2HD       ARG  32  -3.463  -6.525  -4.416
  259   2HD   ARG  32          1HD       ARG  32  -1.877  -6.304  -3.677
  260    HE   ARG  32           HE       ARG  32  -2.764  -8.746  -4.729
  261   1HH1  ARG  32          1HH2      ARG  32  -1.634  -7.467  -1.734
  262   2HH1  ARG  32          2HH2      ARG  32  -0.927  -8.959  -1.210
  263   1HH2  ARG  32          1HH1      ARG  32  -1.847 -10.702  -4.063
  264   2HH2  ARG  32          2HH1      ARG  32  -1.049 -10.790  -2.529
  265    H    GLY  33           H        GLY  33  -8.088  -6.244  -1.692
  266   1HA   GLY  33          2HA       GLY  33  -9.348  -7.758  -0.308
  267   2HA   GLY  33          1HA       GLY  33  -7.940  -8.817  -0.231
  268    H    LEU  34           H        LEU  34  -6.763  -5.781   0.281
  269    HA   LEU  34           HA       LEU  34  -6.914  -6.162   3.239
  270   1HB   LEU  34          2HB       LEU  34  -4.948  -4.429   1.726
  271   2HB   LEU  34          1HB       LEU  34  -4.834  -4.984   3.396
  272    HG   LEU  34           HG       LEU  34  -4.757  -6.760   0.938
  273   1HD1  LEU  34          1HD1      LEU  34  -2.612  -5.905   2.905
  274   2HD1  LEU  34          2HD1      LEU  34  -2.694  -5.480   1.196
  275   3HD1  LEU  34          3HD1      LEU  34  -2.402  -7.152   1.676
  276   1HD2  LEU  34          1HD2      LEU  34  -5.717  -8.059   2.664
  277   2HD2  LEU  34          2HD2      LEU  34  -4.732  -7.292   3.909
  278   3HD2  LEU  34          3HD2      LEU  34  -3.997  -8.428   2.779
  279    H    PHE  35           H        PHE  35  -7.010  -4.124   4.538
  280    HA   PHE  35           HA       PHE  35  -8.171  -2.154   5.082
  281   1HB   PHE  35          2HB       PHE  35  -7.171  -1.565   2.288
  282   2HB   PHE  35          1HB       PHE  35  -8.011  -0.362   3.266
  283    HD1  PHE  35           1HD      PHE  35  -4.982  -2.475   3.012
  284    HD2  PHE  35           2HD      PHE  35  -6.965   0.647   5.196
  285    HE1  PHE  35           1HE      PHE  35  -2.871  -1.975   4.214
  286    HE2  PHE  35           2HE      PHE  35  -4.854   1.146   6.399
  287    HZ   PHE  35           HZ       PHE  35  -2.807  -0.165   5.907
  Start of MODEL    7
    1   1H    LEU   1          1HT       LEU   1   0.070  -0.435   9.239
    2   2H    LEU   1          2HT       LEU   1   1.700  -0.702   9.636
    3   3H    LEU   1          3HT       LEU   1   0.641  -0.030  10.783
    4    HA   LEU   1           HA       LEU   1   0.341  -2.074  11.562
    5   1HB   LEU   1          2HB       LEU   1  -1.033  -2.220   8.876
    6   2HB   LEU   1          1HB       LEU   1  -1.100  -3.558  10.023
    7    HG   LEU   1           HG       LEU   1  -1.994  -1.996  11.745
    8   1HD1  LEU   1          1HD1      LEU   1  -1.727  -0.069   9.441
    9   2HD1  LEU   1          2HD1      LEU   1  -1.198   0.131  11.112
   10   3HD1  LEU   1          3HD1      LEU   1  -2.915   0.205  10.715
   11   1HD2  LEU   1          1HD2      LEU   1  -4.227  -1.903  10.848
   12   2HD2  LEU   1          2HD2      LEU   1  -3.463  -3.340  10.167
   13   3HD2  LEU   1          3HD2      LEU   1  -3.622  -1.880   9.191
   14    H    SER   2           H        SER   2   0.170  -3.994   8.816
   15    HA   SER   2           HA       SER   2   2.613  -5.391   9.485
   16   1HB   SER   2          2HB       SER   2   1.984  -6.941   7.842
   17   2HB   SER   2          1HB       SER   2   0.431  -6.280   8.345
   18    HG   SER   2           HG       SER   2   0.975  -4.666   6.559
   19    H    ASP   3           H        ASP   3   3.759  -3.101   9.210
   20    HA   ASP   3           HA       ASP   3   4.341  -2.052   6.649
   21   1HB   ASP   3          2HB       ASP   3   6.164  -2.226   9.071
   22   2HB   ASP   3          1HB       ASP   3   6.419  -1.173   7.680
   23    H    GLU   4           H        GLU   4   5.638  -4.858   8.334
   24    HA   GLU   4           HA       GLU   4   7.820  -5.336   6.500
   25   1HB   GLU   4          2HB       GLU   4   7.500  -6.334   8.848
   26   2HB   GLU   4          1HB       GLU   4   6.365  -7.455   8.093
   27   1HG   GLU   4          2HG       GLU   4   8.506  -8.548   8.115
   28   2HG   GLU   4          1HG       GLU   4   8.205  -8.047   6.450
   29    H    ASP   5           H        ASP   5   4.620  -6.904   6.852
   30    HA   ASP   5           HA       ASP   5   4.849  -8.358   4.369
   31   1HB   ASP   5          2HB       ASP   5   3.277  -8.822   6.372
   32   2HB   ASP   5          1HB       ASP   5   2.236  -7.584   5.669
   33    H    PHE   6           H        PHE   6   3.249  -5.316   5.292
   34    HA   PHE   6           HA       PHE   6   1.956  -4.691   2.885
   35   1HB   PHE   6          2HB       PHE   6   1.757  -3.294   4.890
   36   2HB   PHE   6          1HB       PHE   6   3.450  -2.818   4.746
   37    HD1  PHE   6           1HD      PHE   6   0.062  -2.372   3.429
   38    HD2  PHE   6           2HD      PHE   6   4.205  -1.374   2.886
   39    HE1  PHE   6           1HE      PHE   6  -0.581  -0.541   1.885
   40    HE2  PHE   6           2HE      PHE   6   3.562   0.457   1.341
   41    HZ   PHE   6           HZ       PHE   6   1.168   0.874   0.841
   42    H    ARG   7           H        ARG   7   5.258  -3.618   3.786
   43    HA   ARG   7           HA       ARG   7   5.984  -2.461   1.349
   44   1HB   ARG   7          2HB       ARG   7   7.382  -2.426   3.405
   45   2HB   ARG   7          1HB       ARG   7   7.782  -4.124   3.143
   46   1HG   ARG   7          2HG       ARG   7   8.848  -3.597   1.022
   47   2HG   ARG   7          1HG       ARG   7   8.335  -1.913   1.143
   48   1HD   ARG   7          2HD       ARG   7  10.630  -2.000   1.858
   49   2HD   ARG   7          1HD       ARG   7   9.648  -1.773   3.303
   50    HE   ARG   7           HE       ARG   7   9.920  -4.529   3.094
   51   1HH1  ARG   7          1HH2      ARG   7  12.023  -1.797   3.159
   52   2HH1  ARG   7          2HH2      ARG   7  13.328  -2.655   3.906
   53   1HH2  ARG   7          1HH1      ARG   7  11.610  -5.662   4.067
   54   2HH2  ARG   7          2HH1      ARG   7  13.095  -4.844   4.421
   55    H    ALA   8           H        ALA   8   5.975  -5.894   2.219
   56    HA   ALA   8           HA       ALA   8   7.290  -6.805  -0.177
   57   1HB   ALA   8          1HB       ALA   8   5.299  -8.362   1.486
   58   2HB   ALA   8          2HB       ALA   8   6.974  -8.118   1.981
   59   3HB   ALA   8          3HB       ALA   8   6.612  -9.005   0.500
   60    H    VAL   9           H        VAL   9   3.950  -6.014   0.594
   61    HA   VAL   9           HA       VAL   9   2.810  -7.359  -1.697
   62    HB   VAL   9           HB       VAL   9   1.739  -5.122   0.041
   63   1HG1  VAL   9          1HG1      VAL   9   0.546  -5.003  -2.025
   64   2HG1  VAL   9          2HG1      VAL   9  -0.480  -5.942  -0.940
   65   3HG1  VAL   9          3HG1      VAL   9   0.483  -6.759  -2.171
   66   1HG2  VAL   9          1HG2      VAL   9   1.009  -8.063  -0.034
   67   2HG2  VAL   9          2HG2      VAL   9   0.530  -6.868   1.174
   68   3HG2  VAL   9          3HG2      VAL   9   2.209  -7.400   1.075
   69   1HN   PF5  10          H         PF5  10   3.535  -3.885  -1.092
   70    HA   PF5  10           HA       PF5  10   3.125  -3.438  -4.009
   71   1HB   PF5  10          1HB       PF5  10   2.868  -1.099  -3.459
   72   2HB   PF5  10          2HB       PF5  10   3.442  -1.378  -1.809
   73    H    GLY  11           H        GLY  11   5.633  -3.889  -1.781
   74   1HA   GLY  11          2HA       GLY  11   7.956  -3.892  -2.227
   75   2HA   GLY  11          1HA       GLY  11   7.610  -3.237  -3.827
   76    H    MET  12           H        MET  12   6.163  -1.570  -1.188
   77    HA   MET  12           HA       MET  12   8.411   0.322  -0.910
   78   1HB   MET  12          2HB       MET  12   6.765   2.241  -1.448
   79   2HB   MET  12          1HB       MET  12   7.426   1.336  -2.812
   80   1HG   MET  12          2HG       MET  12   5.401  -0.067  -2.874
   81   2HG   MET  12          1HG       MET  12   4.738   0.822  -1.503
   82   1HE   MET  12          1HE       MET  12   6.533   1.571  -4.961
   83   2HE   MET  12          2HE       MET  12   5.101   2.052  -5.867
   84   3HE   MET  12          3HE       MET  12   5.176   0.450  -5.137
   85    H    THR  13           H        THR  13   8.064   1.814   0.883
   86    HA   THR  13           HA       THR  13   6.558   0.600   3.047
   87    HB   THR  13           HB       THR  13   7.254   2.772   4.244
   88    HG1  THR  13           1HG      THR  13   7.509   3.924   2.243
   89   1HG2  THR  13          1HG2      THR  13   9.359   1.012   2.958
   90   2HG2  THR  13          2HG2      THR  13   8.507   0.676   4.465
   91   3HG2  THR  13          3HG2      THR  13   9.620   2.041   4.367
   92    H    ARG  14           H        ARG  14   4.822   1.695   4.244
   93    HA   ARG  14           HA       ARG  14   2.683   2.593   2.639
   94   1HB   ARG  14          2HB       ARG  14   3.249   3.123   5.570
   95   2HB   ARG  14          1HB       ARG  14   1.710   3.470   4.782
   96   1HG   ARG  14          2HG       ARG  14   1.541   1.071   4.123
   97   2HG   ARG  14          1HG       ARG  14   3.030   0.748   5.011
   98   1HD   ARG  14          2HD       ARG  14   1.953   1.574   7.094
   99   2HD   ARG  14          1HD       ARG  14   0.467   1.857   6.200
  100    HE   ARG  14           HE       ARG  14   1.375  -0.693   7.202
  101   1HH1  ARG  14          1HH2      ARG  14  -0.167   0.871   4.532
  102   2HH1  ARG  14          2HH2      ARG  14  -1.018  -0.551   4.026
  103   1HH2  ARG  14          1HH1      ARG  14   0.262  -2.548   6.553
  104   2HH2  ARG  14          2HH1      ARG  14  -0.774  -2.482   5.167
  105    H    SER  15           H        SER  15   5.378   4.382   4.005
  106    HA   SER  15           HA       SER  15   4.258   7.009   3.819
  107   1HB   SER  15          2HB       SER  15   7.162   6.229   3.416
  108   2HB   SER  15          1HB       SER  15   6.552   7.814   3.883
  109    HG   SER  15           HG       SER  15   5.515   6.402   5.659
  110    H    ALA  16           H        ALA  16   6.176   5.098   1.494
  111    HA   ALA  16           HA       ALA  16   5.995   7.122  -0.581
  112   1HB   ALA  16          1HB       ALA  16   6.944   4.283  -0.420
  113   2HB   ALA  16          2HB       ALA  16   7.823   5.726  -0.927
  114   3HB   ALA  16          3HB       ALA  16   6.640   4.988  -2.008
  115    H    PHE  17           H        PHE  17   4.311   4.053   0.094
  116    HA   PHE  17           HA       PHE  17   2.645   4.038  -2.211
  117   1HB   PHE  17          2HB       PHE  17   2.931   2.178  -0.486
  118   2HB   PHE  17          1HB       PHE  17   1.804   3.073   0.533
  119    HD1  PHE  17           1HD      PHE  17   2.149   1.711  -2.942
  120    HD2  PHE  17           2HD      PHE  17  -0.503   2.754   0.273
  121    HE1  PHE  17           1HE      PHE  17   0.242   0.753  -4.204
  122    HE2  PHE  17           2HE      PHE  17  -2.410   1.796  -0.990
  123    HZ   PHE  17           HZ       PHE  17  -2.038   0.795  -3.228
  124    H    ALA  18           H        ALA  18   2.269   5.636   0.935
  125    HA   ALA  18           HA       ALA  18  -0.398   6.561   0.604
  126   1HB   ALA  18          1HB       ALA  18   1.907   7.974   1.986
  127   2HB   ALA  18          2HB       ALA  18   0.885   6.742   2.726
  128   3HB   ALA  18          3HB       ALA  18   0.191   8.290   2.248
  129    H    ASN  19           H        ASN  19   2.461   7.388  -1.081
  130    HA   ASN  19           HA       ASN  19   1.945  10.108  -1.761
  131   1HB   ASN  19          2HB       ASN  19   4.083   8.849  -2.200
  132   2HB   ASN  19          1HB       ASN  19   3.259   8.021  -3.523
  133   1HD2  ASN  19          1HD2      ASN  19   3.999  11.358  -2.371
  134   2HD2  ASN  19          2HD2      ASN  19   4.107  12.028  -3.926
  135    H    LEU  20           H        LEU  20   0.709   7.084  -3.119
  136    HA   LEU  20           HA       LEU  20  -0.459   8.204  -5.491
  137   1HB   LEU  20          2HB       LEU  20  -1.434   5.815  -3.897
  138   2HB   LEU  20          1HB       LEU  20  -1.750   6.145  -5.601
  139    HG   LEU  20           HG       LEU  20   1.004   5.702  -4.410
  140   1HD1  LEU  20          1HD1      LEU  20  -0.050   3.591  -4.340
  141   2HD1  LEU  20          2HD1      LEU  20   0.787   3.584  -5.894
  142   3HD1  LEU  20          3HD1      LEU  20  -0.948   3.892  -5.827
  143   1HD2  LEU  20          1HD2      LEU  20  -0.056   6.290  -7.167
  144   2HD2  LEU  20          2HD2      LEU  20   1.432   5.366  -6.973
  145   3HD2  LEU  20          3HD2      LEU  20   1.325   7.006  -6.336
  146    HA   PRO  21           HA       PRO  21  -3.981  10.555  -4.249
  147   1HB   PRO  21          2HB       PRO  21  -5.519   8.562  -5.906
  148   2HB   PRO  21          1HB       PRO  21  -5.663  10.333  -5.864
  149   1HG   PRO  21          2HG       PRO  21  -4.342   9.187  -7.824
  150   2HG   PRO  21          1HG       PRO  21  -3.694  10.650  -7.055
  151   1HD   PRO  21          2HD       PRO  21  -2.772   7.815  -6.772
  152   2HD   PRO  21          1HD       PRO  21  -1.826   9.318  -6.716
  153    H    LEU  22           H        LEU  22  -5.233  10.478  -2.436
  154    HA   LEU  22           HA       LEU  22  -5.302   8.318  -0.670
  155   1HB   LEU  22          2HB       LEU  22  -5.908  10.657  -0.091
  156   2HB   LEU  22          1HB       LEU  22  -7.432  10.457  -0.955
  157    HG   LEU  22           HG       LEU  22  -7.986   8.544   0.558
  158   1HD1  LEU  22          1HD1      LEU  22  -5.290   9.291   1.636
  159   2HD1  LEU  22          2HD1      LEU  22  -5.993   7.692   1.395
  160   3HD1  LEU  22          3HD1      LEU  22  -6.512   8.687   2.755
  161   1HD2  LEU  22          1HD2      LEU  22  -8.391   9.969   2.579
  162   2HD2  LEU  22          2HD2      LEU  22  -8.861  10.762   1.075
  163   3HD2  LEU  22          3HD2      LEU  22  -7.351  11.206   1.871
  164    H    TRP  23           H        TRP  23  -7.817   9.182  -3.065
  165    HA   TRP  23           HA       TRP  23  -9.564   7.014  -2.326
  166   1HB   TRP  23          2HB       TRP  23 -10.807   7.572  -4.317
  167   2HB   TRP  23          1HB       TRP  23 -10.245   9.081  -3.597
  168    HD1  TRP  23           HD       TRP  23  -8.552  10.527  -4.935
  169    HE1  TRP  23           1HE      TRP  23  -7.554  10.366  -7.307
  170    HE3  TRP  23           3HE      TRP  23 -10.009   5.796  -6.184
  171    HZ2  TRP  23           2HZ      TRP  23  -7.395   8.477  -9.450
  172    HZ3  TRP  23           3HZ      TRP  23  -9.423   4.841  -8.394
  173    HH2  TRP  23           HH       TRP  23  -8.118   6.174 -10.027
  174    H    ARG  24           H        ARG  24  -7.053   7.342  -4.830
  175    HA   ARG  24           HA       ARG  24  -7.556   4.873  -6.156
  176   1HB   ARG  24          2HB       ARG  24  -6.065   6.651  -7.040
  177   2HB   ARG  24          1HB       ARG  24  -4.890   6.264  -5.782
  178   1HG   ARG  24          2HG       ARG  24  -4.673   3.984  -6.638
  179   2HG   ARG  24          1HG       ARG  24  -5.912   4.299  -7.853
  180   1HD   ARG  24          2HD       ARG  24  -4.299   5.033  -9.236
  181   2HD   ARG  24          1HD       ARG  24  -4.012   6.373  -8.121
  182    HE   ARG  24           HE       ARG  24  -2.579   4.319  -6.984
  183   1HH1  ARG  24          1HH2      ARG  24  -2.835   5.668 -10.145
  184   2HH1  ARG  24          2HH2      ARG  24  -1.184   5.353 -10.560
  185   1HH2  ARG  24          1HH1      ARG  24  -0.418   3.899  -7.506
  186   2HH2  ARG  24          2HH1      ARG  24   0.186   4.351  -9.064
  187    H    GLN  25           H        GLN  25  -5.403   5.593  -3.389
  188    HA   GLN  25           HA       GLN  25  -4.162   3.098  -3.138
  189   1HB   GLN  25          2HB       GLN  25  -5.158   4.906  -0.921
  190   2HB   GLN  25          1HB       GLN  25  -4.016   3.578  -0.701
  191   1HG   GLN  25          2HG       GLN  25  -2.412   4.636  -2.195
  192   2HG   GLN  25          1HG       GLN  25  -3.565   5.912  -2.587
  193   1HE2  GLN  25          1HE2      GLN  25  -2.122   7.570  -1.705
  194   2HE2  GLN  25          2HE2      GLN  25  -1.906   7.742  -0.030
  195    H    GLN  26           H        GLN  26  -7.405   4.037  -1.955
  196    HA   GLN  26           HA       GLN  26  -7.973   1.507  -0.711
  197   1HB   GLN  26          2HB       GLN  26  -9.855   3.541  -1.948
  198   2HB   GLN  26          1HB       GLN  26 -10.364   2.181  -0.946
  199   1HG   GLN  26          2HG       GLN  26  -9.041   3.043   0.934
  200   2HG   GLN  26          1HG       GLN  26  -8.476   4.384  -0.064
  201   1HE2  GLN  26          1HE2      GLN  26  -9.973   4.812   2.364
  202   2HE2  GLN  26          2HE2      GLN  26 -11.470   5.493   1.944
  203    H    ASN  27           H        ASN  27  -8.327   2.739  -3.997
  204    HA   ASN  27           HA       ASN  27  -9.802   0.544  -5.086
  205   1HB   ASN  27          2HB       ASN  27  -9.335   2.801  -6.182
  206   2HB   ASN  27          1HB       ASN  27  -7.724   2.187  -6.558
  207   1HD2  ASN  27          1HD2      ASN  27  -7.585   1.209  -8.577
  208   2HD2  ASN  27          2HD2      ASN  27  -8.875   0.472  -9.398
  209    H    LEU  28           H        LEU  28  -6.278   1.188  -5.078
  210    HA   LEU  28           HA       LEU  28  -5.608  -1.392  -6.198
  211   1HB   LEU  28          2HB       LEU  28  -3.852   0.457  -4.559
  212   2HB   LEU  28          1HB       LEU  28  -3.309  -0.810  -5.657
  213    HG   LEU  28           HG       LEU  28  -4.825   1.703  -6.417
  214   1HD1  LEU  28          1HD1      LEU  28  -2.743   2.197  -7.675
  215   2HD1  LEU  28          2HD1      LEU  28  -2.015   0.730  -7.023
  216   3HD1  LEU  28          3HD1      LEU  28  -2.438   2.058  -5.943
  217   1HD2  LEU  28          1HD2      LEU  28  -4.106  -0.802  -7.925
  218   2HD2  LEU  28          2HD2      LEU  28  -4.199   0.741  -8.775
  219   3HD2  LEU  28          3HD2      LEU  28  -5.618   0.106  -7.942
  220    H    ARG  29           H        ARG  29  -6.053  -0.190  -2.912
  221    HA   ARG  29           HA       ARG  29  -4.824  -2.536  -1.691
  222   1HB   ARG  29          2HB       ARG  29  -6.443  -0.225  -0.620
  223   2HB   ARG  29          1HB       ARG  29  -5.943  -1.569   0.409
  224   1HG   ARG  29          2HG       ARG  29  -3.583  -1.172  -0.229
  225   2HG   ARG  29          1HG       ARG  29  -4.091   0.193  -1.223
  226   1HD   ARG  29          2HD       ARG  29  -4.511  -0.050   1.771
  227   2HD   ARG  29          1HD       ARG  29  -3.296   0.957   0.986
  228    HE   ARG  29           HE       ARG  29  -5.684   1.779  -0.157
  229   1HH1  ARG  29          1HH2      ARG  29  -4.441   1.384   3.037
  230   2HH1  ARG  29          2HH2      ARG  29  -5.390   2.669   3.706
  231   1HH2  ARG  29          1HH1      ARG  29  -6.927   3.455   0.698
  232   2HH2  ARG  29          2HH1      ARG  29  -6.798   3.842   2.381
  233    H    ARG  30           H        ARG  30  -8.218  -1.429  -2.105
  234    HA   ARG  30           HA       ARG  30  -9.365  -3.740  -0.855
  235   1HB   ARG  30          2HB       ARG  30 -10.435  -1.800  -2.915
  236   2HB   ARG  30          1HB       ARG  30 -11.410  -3.120  -2.267
  237   1HG   ARG  30          2HG       ARG  30 -11.020  -2.269   0.027
  238   2HG   ARG  30          1HG       ARG  30 -10.078  -0.934  -0.639
  239   1HD   ARG  30          2HD       ARG  30 -13.004  -1.497  -1.205
  240   2HD   ARG  30          1HD       ARG  30 -12.377  -0.200  -0.189
  241    HE   ARG  30           HE       ARG  30 -11.124   0.205  -2.627
  242   1HH1  ARG  30          1HH2      ARG  30 -14.365  -0.203  -1.518
  243   2HH1  ARG  30          2HH2      ARG  30 -15.052   0.802  -2.750
  244   1HH2  ARG  30          1HH1      ARG  30 -12.002   1.516  -4.239
  245   2HH2  ARG  30          2HH1      ARG  30 -13.714   1.775  -4.291
  246    H    GLU  31           H        GLU  31  -8.472  -3.047  -4.228
  247    HA   GLU  31           HA       GLU  31  -9.468  -5.483  -5.355
  248   1HB   GLU  31          2HB       GLU  31  -8.624  -3.435  -6.619
  249   2HB   GLU  31          1HB       GLU  31  -6.989  -3.990  -6.264
  250   1HG   GLU  31          2HG       GLU  31  -7.520  -6.159  -7.368
  251   2HG   GLU  31          1HG       GLU  31  -9.111  -5.525  -7.791
  252    H    ARG  32           H        ARG  32  -6.796  -4.812  -3.291
  253    HA   ARG  32           HA       ARG  32  -5.401  -7.319  -4.032
  254   1HB   ARG  32          2HB       ARG  32  -4.334  -4.963  -3.447
  255   2HB   ARG  32          1HB       ARG  32  -4.491  -5.557  -1.794
  256   1HG   ARG  32          2HG       ARG  32  -2.426  -6.446  -2.287
  257   2HG   ARG  32          1HG       ARG  32  -3.436  -7.756  -2.902
  258   1HD   ARG  32          2HD       ARG  32  -2.570  -5.438  -4.639
  259   2HD   ARG  32          1HD       ARG  32  -1.609  -6.907  -4.482
  260    HE   ARG  32           HE       ARG  32  -4.124  -7.852  -5.131
  261   1HH1  ARG  32          1HH2      ARG  32  -1.955  -5.497  -6.409
  262   2HH1  ARG  32          2HH2      ARG  32  -2.466  -5.722  -8.049
  263   1HH2  ARG  32          1HH1      ARG  32  -4.803  -8.160  -7.264
  264   2HH2  ARG  32          2HH1      ARG  32  -4.079  -7.231  -8.532
  265    H    GLY  33           H        GLY  33  -7.838  -6.381  -1.895
  266   1HA   GLY  33          2HA       GLY  33  -8.921  -7.885  -0.369
  267   2HA   GLY  33          1HA       GLY  33  -7.470  -8.888  -0.370
  268    H    LEU  34           H        LEU  34  -6.327  -5.836  -0.015
  269    HA   LEU  34           HA       LEU  34  -6.297  -6.120   2.958
  270   1HB   LEU  34          2HB       LEU  34  -4.455  -4.413   1.268
  271   2HB   LEU  34          1HB       LEU  34  -4.231  -4.903   2.948
  272    HG   LEU  34           HG       LEU  34  -4.240  -6.742   0.537
  273   1HD1  LEU  34          1HD1      LEU  34  -2.061  -5.805   2.425
  274   2HD1  LEU  34          2HD1      LEU  34  -2.168  -5.495   0.693
  275   3HD1  LEU  34          3HD1      LEU  34  -1.864  -7.130   1.279
  276   1HD2  LEU  34          1HD2      LEU  34  -4.159  -7.226   3.514
  277   2HD2  LEU  34          2HD2      LEU  34  -3.427  -8.376   2.394
  278   3HD2  LEU  34          3HD2      LEU  34  -5.153  -8.026   2.296
  279    H    PHE  35           H        PHE  35  -7.140  -4.492   4.218
  280    HA   PHE  35           HA       PHE  35  -7.462  -1.772   3.331
  281   1HB   PHE  35          2HB       PHE  35  -9.862  -1.696   3.029
  282   2HB   PHE  35          1HB       PHE  35  -9.220  -2.931   1.945
  283    HD1  PHE  35           1HD      PHE  35 -11.276  -2.273   4.894
  284    HD2  PHE  35           2HD      PHE  35  -9.444  -5.341   2.511
  285    HE1  PHE  35           1HE      PHE  35 -12.727  -3.973   5.970
  286    HE2  PHE  35           2HE      PHE  35 -10.895  -7.042   3.586
  287    HZ   PHE  35           HZ       PHE  35 -12.535  -6.358   5.315
  Start of MODEL    8
    1   1H    LEU   1          1HT       LEU   1  -0.593  -2.871  11.856
    2   2H    LEU   1          2HT       LEU   1   0.925  -2.109  11.889
    3   3H    LEU   1          3HT       LEU   1   0.809  -3.760  11.507
    4    HA   LEU   1           HA       LEU   1  -0.825  -2.605   9.673
    5   1HB   LEU   1          2HB       LEU   1   1.534  -0.840  10.328
    6   2HB   LEU   1          1HB       LEU   1   0.856  -0.886   8.700
    7    HG   LEU   1           HG       LEU   1  -1.377  -0.330   9.637
    8   1HD1  LEU   1          1HD1      LEU   1   0.214  -0.338  12.203
    9   2HD1  LEU   1          2HD1      LEU   1  -1.304  -1.162  11.852
   10   3HD1  LEU   1          3HD1      LEU   1  -1.278   0.590  12.052
   11   1HD2  LEU   1          1HD2      LEU   1  -0.811   2.022  10.288
   12   2HD2  LEU   1          2HD2      LEU   1   0.029   1.492   8.830
   13   3HD2  LEU   1          3HD2      LEU   1   0.888   1.553  10.370
   14    H    SER   2           H        SER   2   1.712  -4.396  10.751
   15    HA   SER   2           HA       SER   2   3.316  -5.770   9.702
   16   1HB   SER   2          2HB       SER   2   2.369  -7.185   8.093
   17   2HB   SER   2          1HB       SER   2   0.946  -6.573   8.929
   18    HG   SER   2           HG       SER   2   0.825  -4.956   7.275
   19    H    ASP   3           H        ASP   3   4.278  -3.335   9.392
   20    HA   ASP   3           HA       ASP   3   4.421  -2.196   6.806
   21   1HB   ASP   3          2HB       ASP   3   6.547  -2.313   8.970
   22   2HB   ASP   3          1HB       ASP   3   6.611  -1.257   7.558
   23    H    GLU   4           H        GLU   4   6.176  -4.913   8.229
   24    HA   GLU   4           HA       GLU   4   8.048  -5.252   6.065
   25   1HB   GLU   4          2HB       GLU   4   8.177  -6.308   8.388
   26   2HB   GLU   4          1HB       GLU   4   6.953  -7.452   7.834
   27   1HG   GLU   4          2HG       GLU   4   8.443  -8.072   5.932
   28   2HG   GLU   4          1HG       GLU   4   9.683  -7.003   6.592
   29    H    ASP   5           H        ASP   5   4.931  -6.831   6.815
   30    HA   ASP   5           HA       ASP   5   4.843  -8.366   4.384
   31   1HB   ASP   5          2HB       ASP   5   3.440  -8.634   6.560
   32   2HB   ASP   5          1HB       ASP   5   2.388  -7.411   5.848
   33    H    PHE   6           H        PHE   6   3.508  -5.201   5.306
   34    HA   PHE   6           HA       PHE   6   2.051  -4.651   2.947
   35   1HB   PHE   6          2HB       PHE   6   1.946  -3.219   4.943
   36   2HB   PHE   6          1HB       PHE   6   3.622  -2.731   4.693
   37    HD1  PHE   6           1HD      PHE   6   0.162  -2.372   3.532
   38    HD2  PHE   6           2HD      PHE   6   4.253  -1.302   2.786
   39    HE1  PHE   6           1HE      PHE   6  -0.588  -0.584   1.985
   40    HE2  PHE   6           2HE      PHE   6   3.504   0.486   1.239
   41    HZ   PHE   6           HZ       PHE   6   1.084   0.844   0.838
   42    H    ARG   7           H        ARG   7   5.380  -3.545   3.694
   43    HA   ARG   7           HA       ARG   7   6.005  -2.450   1.201
   44   1HB   ARG   7          2HB       ARG   7   7.485  -2.334   3.187
   45   2HB   ARG   7          1HB       ARG   7   7.872  -4.043   2.987
   46   1HG   ARG   7          2HG       ARG   7   8.851  -3.608   0.797
   47   2HG   ARG   7          1HG       ARG   7   8.367  -1.914   0.885
   48   1HD   ARG   7          2HD       ARG   7  10.683  -2.002   1.515
   49   2HD   ARG   7          1HD       ARG   7   9.764  -1.736   2.994
   50    HE   ARG   7           HE       ARG   7  10.006  -4.498   2.832
   51   1HH1  ARG   7          1HH2      ARG   7  12.128  -1.782   2.757
   52   2HH1  ARG   7          2HH2      ARG   7  13.457  -2.635   3.470
   53   1HH2  ARG   7          1HH1      ARG   7  11.725  -5.625   3.762
   54   2HH2  ARG   7          2HH1      ARG   7  13.229  -4.811   4.038
   55    H    ALA   8           H        ALA   8   6.020  -5.856   2.157
   56    HA   ALA   8           HA       ALA   8   7.277  -6.833  -0.245
   57   1HB   ALA   8          1HB       ALA   8   6.349  -9.030   0.466
   58   2HB   ALA   8          2HB       ALA   8   5.417  -8.209   1.719
   59   3HB   ALA   8          3HB       ALA   8   7.180  -8.199   1.780
   60    H    VAL   9           H        VAL   9   3.965  -5.986   0.576
   61    HA   VAL   9           HA       VAL   9   2.785  -7.388  -1.675
   62    HB   VAL   9           HB       VAL   9   1.722  -5.186   0.111
   63   1HG1  VAL   9          1HG1      VAL   9   0.441  -6.783  -2.115
   64   2HG1  VAL   9          2HG1      VAL   9   0.479  -5.031  -1.918
   65   3HG1  VAL   9          3HG1      VAL   9  -0.509  -6.019  -0.842
   66   1HG2  VAL   9          1HG2      VAL   9   0.603  -6.940   1.276
   67   2HG2  VAL   9          2HG2      VAL   9   2.249  -7.527   1.038
   68   3HG2  VAL   9          3HG2      VAL   9   0.947  -8.108   0.000
   69   1HN   PF5  10          H         PF5  10   3.480  -3.907  -1.082
   70    HA   PF5  10           HA       PF5  10   2.952  -3.448  -3.976
   71   1HB   PF5  10          1HB       PF5  10   2.734  -1.105  -3.399
   72   2HB   PF5  10          2HB       PF5  10   3.353  -1.410  -1.770
   73    H    GLY  11           H        GLY  11   5.549  -3.693  -1.738
   74   1HA   GLY  11          2HA       GLY  11   7.849  -3.806  -2.374
   75   2HA   GLY  11          1HA       GLY  11   7.430  -3.074  -3.923
   76    H    MET  12           H        MET  12   6.070  -1.477  -1.223
   77    HA   MET  12           HA       MET  12   8.366   0.343  -0.874
   78   1HB   MET  12          2HB       MET  12   6.795   2.325  -1.358
   79   2HB   MET  12          1HB       MET  12   7.404   1.434  -2.752
   80   1HG   MET  12          2HG       MET  12   5.324   0.113  -2.826
   81   2HG   MET  12          1HG       MET  12   4.711   0.994  -1.427
   82   1HE   MET  12          1HE       MET  12   5.116   0.701  -5.076
   83   2HE   MET  12          2HE       MET  12   6.511   1.759  -4.878
   84   3HE   MET  12          3HE       MET  12   5.099   2.331  -5.763
   85    H    THR  13           H        THR  13   8.027   1.808   0.956
   86    HA   THR  13           HA       THR  13   6.546   0.554   3.101
   87    HB   THR  13           HB       THR  13   7.173   2.759   4.301
   88    HG1  THR  13           1HG      THR  13   7.596   3.507   1.883
   89   1HG2  THR  13          1HG2      THR  13   9.515   2.051   4.512
   90   2HG2  THR  13          2HG2      THR  13   9.359   1.068   3.056
   91   3HG2  THR  13          3HG2      THR  13   8.446   0.647   4.506
   92    H    ARG  14           H        ARG  14   4.742   1.504   4.269
   93    HA   ARG  14           HA       ARG  14   2.607   2.415   2.665
   94   1HB   ARG  14          2HB       ARG  14   3.060   2.863   5.630
   95   2HB   ARG  14          1HB       ARG  14   1.520   3.079   4.798
   96   1HG   ARG  14          2HG       ARG  14   1.789   0.650   4.006
   97   2HG   ARG  14          1HG       ARG  14   3.067   0.516   5.215
   98   1HD   ARG  14          2HD       ARG  14   1.048  -0.220   6.297
   99   2HD   ARG  14          1HD       ARG  14   1.390   1.386   6.921
  100    HE   ARG  14           HE       ARG  14  -0.265   1.839   4.732
  101   1HH1  ARG  14          1HH2      ARG  14  -0.375  -0.117   7.578
  102   2HH1  ARG  14          2HH2      ARG  14  -2.097  -0.009   7.742
  103   1HH2  ARG  14          1HH1      ARG  14  -2.510   1.978   4.932
  104   2HH2  ARG  14          2HH1      ARG  14  -3.302   1.176   6.247
  105    H    SER  15           H        SER  15   5.208   4.214   4.191
  106    HA   SER  15           HA       SER  15   3.997   6.808   4.116
  107   1HB   SER  15          2HB       SER  15   6.247   7.683   4.333
  108   2HB   SER  15          1HB       SER  15   6.131   6.230   5.321
  109    HG   SER  15           HG       SER  15   7.323   5.140   3.881
  110    H    ALA  16           H        ALA  16   6.047   5.088   1.758
  111    HA   ALA  16           HA       ALA  16   5.867   7.217  -0.211
  112   1HB   ALA  16          1HB       ALA  16   6.832   4.362  -0.251
  113   2HB   ALA  16          2HB       ALA  16   7.763   5.845  -0.469
  114   3HB   ALA  16          3HB       ALA  16   6.685   5.283  -1.747
  115    H    PHE  17           H        PHE  17   4.241   4.086   0.277
  116    HA   PHE  17           HA       PHE  17   2.661   4.112  -2.087
  117   1HB   PHE  17          2HB       PHE  17   2.916   2.194  -0.439
  118   2HB   PHE  17          1HB       PHE  17   1.768   3.037   0.599
  119    HD1  PHE  17           1HD      PHE  17   2.191   1.716  -2.875
  120    HD2  PHE  17           2HD      PHE  17  -0.551   2.810   0.247
  121    HE1  PHE  17           1HE      PHE  17   0.311   0.790  -4.201
  122    HE2  PHE  17           2HE      PHE  17  -2.430   1.884  -1.080
  123    HZ   PHE  17           HZ       PHE  17  -1.999   0.875  -3.304
  124    H    ALA  18           H        ALA  18   2.125   5.587   1.096
  125    HA   ALA  18           HA       ALA  18  -0.542   6.469   0.703
  126   1HB   ALA  18          1HB       ALA  18   0.674   6.622   2.868
  127   2HB   ALA  18          2HB       ALA  18  -0.049   8.164   2.409
  128   3HB   ALA  18          3HB       ALA  18   1.682   7.901   2.191
  129    H    ASN  19           H        ASN  19   2.359   7.426  -0.849
  130    HA   ASN  19           HA       ASN  19   1.767  10.145  -1.480
  131   1HB   ASN  19          2HB       ASN  19   3.967   8.901  -1.841
  132   2HB   ASN  19          1HB       ASN  19   3.231   8.211  -3.289
  133   1HD2  ASN  19          1HD2      ASN  19   5.148   9.545  -4.280
  134   2HD2  ASN  19          2HD2      ASN  19   4.809  11.157  -4.690
  135    H    LEU  20           H        LEU  20   0.721   7.110  -2.964
  136    HA   LEU  20           HA       LEU  20  -0.349   8.217  -5.381
  137   1HB   LEU  20          2HB       LEU  20  -1.307   5.791  -3.832
  138   2HB   LEU  20          1HB       LEU  20  -1.634   6.134  -5.532
  139    HG   LEU  20           HG       LEU  20   1.148   5.801  -4.373
  140   1HD1  LEU  20          1HD1      LEU  20   0.996   3.628  -5.770
  141   2HD1  LEU  20          2HD1      LEU  20  -0.750   3.862  -5.695
  142   3HD1  LEU  20          3HD1      LEU  20   0.175   3.653  -4.208
  143   1HD2  LEU  20          1HD2      LEU  20  -0.003   6.261  -7.117
  144   2HD2  LEU  20          2HD2      LEU  20   1.522   5.395  -6.938
  145   3HD2  LEU  20          3HD2      LEU  20   1.373   7.050  -6.347
  146    HA   PRO  21           HA       PRO  21  -3.988  10.474  -4.314
  147   1HB   PRO  21          2HB       PRO  21  -5.383   8.503  -6.113
  148   2HB   PRO  21          1HB       PRO  21  -5.542  10.272  -6.049
  149   1HG   PRO  21          2HG       PRO  21  -4.085   9.176  -7.937
  150   2HG   PRO  21          1HG       PRO  21  -3.497  10.622  -7.094
  151   1HD   PRO  21          2HD       PRO  21  -2.597   7.778  -6.796
  152   2HD   PRO  21          1HD       PRO  21  -1.651   9.277  -6.677
  153    H    LEU  22           H        LEU  22  -5.378  10.332  -2.605
  154    HA   LEU  22           HA       LEU  22  -5.541   8.103  -0.916
  155   1HB   LEU  22          2HB       LEU  22  -7.614  10.286  -1.261
  156   2HB   LEU  22          1HB       LEU  22  -7.437   9.247   0.153
  157    HG   LEU  22           HG       LEU  22  -5.332  11.165  -0.895
  158   1HD1  LEU  22          1HD1      LEU  22  -5.815  12.275   1.356
  159   2HD1  LEU  22          2HD1      LEU  22  -7.264  11.273   1.432
  160   3HD1  LEU  22          3HD1      LEU  22  -7.072  12.447   0.131
  161   1HD2  LEU  22          1HD2      LEU  22  -5.397   9.084   1.266
  162   2HD2  LEU  22          2HD2      LEU  22  -4.453  10.549   1.527
  163   3HD2  LEU  22          3HD2      LEU  22  -4.090   9.500   0.157
  164    H    TRP  23           H        TRP  23  -7.956   9.109  -3.367
  165    HA   TRP  23           HA       TRP  23  -9.750   6.939  -2.870
  166   1HB   TRP  23          2HB       TRP  23 -10.807   7.550  -4.939
  167   2HB   TRP  23          1HB       TRP  23 -10.248   9.043  -4.186
  168    HD1  TRP  23           HD       TRP  23  -8.480  10.451  -5.438
  169    HE1  TRP  23           1HE      TRP  23  -7.279  10.222  -7.706
  170    HE3  TRP  23           3HE      TRP  23  -9.827   5.683  -6.670
  171    HZ2  TRP  23           2HZ      TRP  23  -6.935   8.272  -9.772
  172    HZ3  TRP  23           3HZ      TRP  23  -9.051   4.665  -8.790
  173    HH2  TRP  23           HH       TRP  23  -7.607   5.952 -10.342
  174    H    ARG  24           H        ARG  24  -6.940   7.219  -5.018
  175    HA   ARG  24           HA       ARG  24  -7.382   4.741  -6.408
  176   1HB   ARG  24          2HB       ARG  24  -5.854   6.518  -7.226
  177   2HB   ARG  24          1HB       ARG  24  -4.763   6.173  -5.883
  178   1HG   ARG  24          2HG       ARG  24  -4.455   3.881  -6.674
  179   2HG   ARG  24          1HG       ARG  24  -5.617   4.150  -7.974
  180   1HD   ARG  24          2HD       ARG  24  -3.950   4.918  -9.271
  181   2HD   ARG  24          1HD       ARG  24  -3.708   6.245  -8.133
  182    HE   ARG  24           HE       ARG  24  -2.355   4.156  -6.947
  183   1HH1  ARG  24          1HH2      ARG  24  -2.426   5.580 -10.086
  184   2HH1  ARG  24          2HH2      ARG  24  -0.755   5.264 -10.414
  185   1HH2  ARG  24          1HH1      ARG  24  -0.170   3.738  -7.355
  186   2HH2  ARG  24          2HH1      ARG  24   0.523   4.222  -8.867
  187    H    GLN  25           H        GLN  25  -5.332   5.527  -3.571
  188    HA   GLN  25           HA       GLN  25  -4.149   3.025  -3.187
  189   1HB   GLN  25          2HB       GLN  25  -5.206   4.923  -1.076
  190   2HB   GLN  25          1HB       GLN  25  -4.109   3.578  -0.757
  191   1HG   GLN  25          2HG       GLN  25  -2.429   4.548  -2.255
  192   2HG   GLN  25          1HG       GLN  25  -3.528   5.867  -2.665
  193   1HE2  GLN  25          1HE2      GLN  25  -2.168   7.530  -1.740
  194   2HE2  GLN  25          2HE2      GLN  25  -1.925   7.665  -0.066
  195    H    GLN  26           H        GLN  26  -7.392   4.054  -2.049
  196    HA   GLN  26           HA       GLN  26  -8.060   1.552  -0.823
  197   1HB   GLN  26          2HB       GLN  26  -9.864   3.597  -2.156
  198   2HB   GLN  26          1HB       GLN  26 -10.426   2.270  -1.140
  199   1HG   GLN  26          2HG       GLN  26  -9.137   3.150   0.757
  200   2HG   GLN  26          1HG       GLN  26  -8.529   4.461  -0.252
  201   1HE2  GLN  26          1HE2      GLN  26 -10.129   4.881   2.151
  202   2HE2  GLN  26          2HE2      GLN  26 -11.585   5.607   1.667
  203    H    ASN  27           H        ASN  27  -8.322   2.750  -4.135
  204    HA   ASN  27           HA       ASN  27  -9.777   0.556  -5.240
  205   1HB   ASN  27          2HB       ASN  27  -9.222   2.802  -6.341
  206   2HB   ASN  27          1HB       ASN  27  -7.630   2.127  -6.685
  207   1HD2  ASN  27          1HD2      ASN  27  -9.514  -0.547  -6.778
  208   2HD2  ASN  27          2HD2      ASN  27  -9.965  -0.547  -8.414
  209    H    LEU  28           H        LEU  28  -6.248   1.151  -5.108
  210    HA   LEU  28           HA       LEU  28  -5.588  -1.473  -6.150
  211   1HB   LEU  28          2HB       LEU  28  -3.841   0.419  -4.550
  212   2HB   LEU  28          1HB       LEU  28  -3.292  -0.898  -5.585
  213    HG   LEU  28           HG       LEU  28  -4.771   1.594  -6.479
  214   1HD1  LEU  28          1HD1      LEU  28  -2.437   2.046  -6.008
  215   2HD1  LEU  28          2HD1      LEU  28  -2.627   1.944  -7.759
  216   3HD1  LEU  28          3HD1      LEU  28  -1.936   0.588  -6.866
  217   1HD2  LEU  28          1HD2      LEU  28  -4.023  -0.972  -7.867
  218   2HD2  LEU  28          2HD2      LEU  28  -4.087   0.536  -8.780
  219   3HD2  LEU  28          3HD2      LEU  28  -5.530  -0.061  -7.962
  220    H    ARG  29           H        ARG  29  -6.012  -0.127  -2.907
  221    HA   ARG  29           HA       ARG  29  -4.902  -2.492  -1.607
  222   1HB   ARG  29          2HB       ARG  29  -6.417  -0.085  -0.586
  223   2HB   ARG  29          1HB       ARG  29  -5.898  -1.402   0.469
  224   1HG   ARG  29          2HG       ARG  29  -3.558  -1.065  -0.300
  225   2HG   ARG  29          1HG       ARG  29  -4.096   0.299  -1.280
  226   1HD   ARG  29          2HD       ARG  29  -4.440   0.104   1.726
  227   2HD   ARG  29          1HD       ARG  29  -3.163   1.013   0.921
  228    HE   ARG  29           HE       ARG  29  -5.494   1.990  -0.218
  229   1HH1  ARG  29          1HH2      ARG  29  -4.263   1.543   2.974
  230   2HH1  ARG  29          2HH2      ARG  29  -5.116   2.899   3.633
  231   1HH2  ARG  29          1HH1      ARG  29  -6.611   3.758   0.624
  232   2HH2  ARG  29          2HH1      ARG  29  -6.445   4.153   2.302
  233    H    ARG  30           H        ARG  30  -8.231  -1.196  -2.014
  234    HA   ARG  30           HA       ARG  30  -9.530  -3.340  -0.663
  235   1HB   ARG  30          2HB       ARG  30 -10.638  -1.205  -1.396
  236   2HB   ARG  30          1HB       ARG  30 -10.616  -1.817  -3.051
  237   1HG   ARG  30          2HG       ARG  30 -11.991  -3.720  -2.420
  238   2HG   ARG  30          1HG       ARG  30 -11.905  -3.263  -0.718
  239   1HD   ARG  30          2HD       ARG  30 -13.110  -1.520  -2.886
  240   2HD   ARG  30          1HD       ARG  30 -14.046  -2.564  -1.820
  241    HE   ARG  30           HE       ARG  30 -12.550  -1.021  -0.076
  242   1HH1  ARG  30          1HH2      ARG  30 -14.657  -0.434  -2.743
  243   2HH1  ARG  30          2HH2      ARG  30 -15.226   1.082  -2.129
  244   1HH2  ARG  30          1HH1      ARG  30 -13.280   0.952   0.740
  245   2HH2  ARG  30          2HH1      ARG  30 -14.447   1.867  -0.157
  246    H    GLU  31           H        GLU  31  -8.631  -2.967  -4.093
  247    HA   GLU  31           HA       GLU  31  -9.674  -5.482  -4.981
  248   1HB   GLU  31          2HB       GLU  31  -8.830  -3.575  -6.443
  249   2HB   GLU  31          1HB       GLU  31  -7.195  -4.104  -6.053
  250   1HG   GLU  31          2HG       GLU  31  -7.742  -6.361  -6.945
  251   2HG   GLU  31          1HG       GLU  31  -9.339  -5.768  -7.402
  252    H    ARG  32           H        ARG  32  -6.952  -4.654  -3.036
  253    HA   ARG  32           HA       ARG  32  -5.531  -7.175  -3.581
  254   1HB   ARG  32          2HB       ARG  32  -4.435  -4.898  -3.077
  255   2HB   ARG  32          1HB       ARG  32  -4.876  -5.203  -1.396
  256   1HG   ARG  32          2HG       ARG  32  -2.787  -6.184  -1.416
  257   2HG   ARG  32          1HG       ARG  32  -3.758  -7.568  -1.915
  258   1HD   ARG  32          2HD       ARG  32  -3.365  -6.785  -4.324
  259   2HD   ARG  32          1HD       ARG  32  -2.132  -5.712  -3.661
  260    HE   ARG  32           HE       ARG  32  -1.484  -8.200  -2.619
  261   1HH1  ARG  32          1HH2      ARG  32  -2.096  -6.871  -5.741
  262   2HH1  ARG  32          2HH2      ARG  32  -1.015  -7.948  -6.558
  263   1HH2  ARG  32          1HH1      ARG  32  -0.069  -9.616  -3.668
  264   2HH2  ARG  32          2HH1      ARG  32   0.133  -9.502  -5.385
  265    H    GLY  33           H        GLY  33  -7.874  -5.979  -1.308
  266   1HA   GLY  33          2HA       GLY  33  -9.099  -7.418   0.182
  267   2HA   GLY  33          1HA       GLY  33  -7.805  -8.609   0.052
  268    H    LEU  34           H        LEU  34  -6.226  -5.771   0.492
  269    HA   LEU  34           HA       LEU  34  -5.984  -6.284   3.412
  270   1HB   LEU  34          2HB       LEU  34  -4.258  -4.439   1.752
  271   2HB   LEU  34          1HB       LEU  34  -3.876  -5.178   3.307
  272    HG   LEU  34           HG       LEU  34  -4.187  -6.602   0.649
  273   1HD1  LEU  34          1HD1      LEU  34  -1.852  -6.125   2.523
  274   2HD1  LEU  34          2HD1      LEU  34  -2.028  -5.534   0.870
  275   3HD1  LEU  34          3HD1      LEU  34  -1.806  -7.257   1.172
  276   1HD2  LEU  34          1HD2      LEU  34  -5.103  -8.096   2.247
  277   2HD2  LEU  34          2HD2      LEU  34  -3.943  -7.615   3.485
  278   3HD2  LEU  34          3HD2      LEU  34  -3.415  -8.591   2.114
  279    H    PHE  35           H        PHE  35  -7.317  -4.032   1.181
  280    HA   PHE  35           HA       PHE  35  -8.172  -1.847   1.477
  281   1HB   PHE  35          2HB       PHE  35  -9.941  -1.893   2.955
  282   2HB   PHE  35          1HB       PHE  35  -9.584  -3.620   2.905
  283    HD1  PHE  35           1HD      PHE  35  -9.054  -0.488   4.831
  284    HD2  PHE  35           2HD      PHE  35  -8.682  -4.768   4.805
  285    HE1  PHE  35           1HE      PHE  35  -8.558  -0.461   7.260
  286    HE2  PHE  35           2HE      PHE  35  -8.185  -4.740   7.234
  287    HZ   PHE  35           HZ       PHE  35  -8.123  -2.587   8.462
  Start of MODEL    9
    1   1H    LEU   1          1HT       LEU   1   0.260  -1.372  12.067
    2   2H    LEU   1          2HT       LEU   1   1.202  -0.248  11.210
    3   3H    LEU   1          3HT       LEU   1   1.903  -1.686  11.780
    4    HA   LEU   1           HA       LEU   1  -0.235  -2.486  10.234
    5   1HB   LEU   1          2HB       LEU   1   1.283  -0.139   9.097
    6   2HB   LEU   1          1HB       LEU   1   0.579  -1.366   8.042
    7    HG   LEU   1           HG       LEU   1  -1.630  -0.986   9.129
    8   1HD1  LEU   1          1HD1      LEU   1  -0.003   1.062  10.635
    9   2HD1  LEU   1          2HD1      LEU   1  -1.084  -0.170  11.283
   10   3HD1  LEU   1          3HD1      LEU   1  -1.748   1.233  10.448
   11   1HD2  LEU   1          1HD2      LEU   1  -2.088   1.128   8.022
   12   2HD2  LEU   1          2HD2      LEU   1  -0.907   0.244   7.055
   13   3HD2  LEU   1          3HD2      LEU   1  -0.382   1.575   8.087
   14    H    SER   2           H        SER   2   0.539  -4.120   8.797
   15    HA   SER   2           HA       SER   2   3.043  -5.300   9.500
   16   1HB   SER   2          2HB       SER   2   0.933  -6.359   8.376
   17   2HB   SER   2          1HB       SER   2   1.685  -5.844   6.869
   18    HG   SER   2           HG       SER   2   2.391  -7.842   8.629
   19    H    ASP   3           H        ASP   3   4.356  -3.248   9.183
   20    HA   ASP   3           HA       ASP   3   4.864  -2.145   6.607
   21   1HB   ASP   3          2HB       ASP   3   6.928  -1.271   7.572
   22   2HB   ASP   3          1HB       ASP   3   5.638  -1.143   8.769
   23    H    GLU   4           H        GLU   4   6.051  -5.045   8.196
   24    HA   GLU   4           HA       GLU   4   8.177  -5.560   6.288
   25   1HB   GLU   4          2HB       GLU   4   7.904  -6.550   8.657
   26   2HB   GLU   4          1HB       GLU   4   6.747  -7.659   7.923
   27   1HG   GLU   4          2HG       GLU   4   8.873  -8.770   7.882
   28   2HG   GLU   4          1HG       GLU   4   8.549  -8.243   6.229
   29    H    ASP   5           H        ASP   5   4.936  -7.002   6.768
   30    HA   ASP   5           HA       ASP   5   5.035  -8.470   4.275
   31   1HB   ASP   5          2HB       ASP   5   3.561  -8.928   6.356
   32   2HB   ASP   5          1HB       ASP   5   2.499  -7.677   5.708
   33    H    PHE   6           H        PHE   6   3.563  -5.401   5.297
   34    HA   PHE   6           HA       PHE   6   2.135  -4.752   2.967
   35   1HB   PHE   6          2HB       PHE   6   2.056  -3.369   4.991
   36   2HB   PHE   6          1HB       PHE   6   3.743  -2.907   4.760
   37    HD1  PHE   6           1HD      PHE   6   0.294  -2.460   3.582
   38    HD2  PHE   6           2HD      PHE   6   4.409  -1.420   2.917
   39    HE1  PHE   6           1HE      PHE   6  -0.414  -0.611   2.087
   40    HE2  PHE   6           2HE      PHE   6   3.700   0.427   1.422
   41    HZ   PHE   6           HZ       PHE   6   1.288   0.832   1.007
   42    H    ARG   7           H        ARG   7   5.489  -3.720   3.704
   43    HA   ARG   7           HA       ARG   7   6.097  -2.554   1.237
   44   1HB   ARG   7          2HB       ARG   7   7.588  -2.556   3.243
   45   2HB   ARG   7          1HB       ARG   7   7.991  -4.239   2.905
   46   1HG   ARG   7          2HG       ARG   7   8.851  -3.581   0.682
   47   2HG   ARG   7          1HG       ARG   7   8.464  -1.898   1.036
   48   1HD   ARG   7          2HD       ARG   7  10.372  -3.621   2.643
   49   2HD   ARG   7          1HD       ARG   7  10.854  -2.399   1.469
   50    HE   ARG   7           HE       ARG   7   9.201  -1.029   3.230
   51   1HH1  ARG   7          1HH2      ARG   7  12.000  -3.030   3.459
   52   2HH1  ARG   7          2HH2      ARG   7  12.610  -2.240   4.874
   53   1HH2  ARG   7          1HH1      ARG   7   9.982   0.012   5.073
   54   2HH2  ARG   7          2HH1      ARG   7  11.467  -0.517   5.788
   55    H    ALA   8           H        ALA   8   6.109  -5.989   2.098
   56    HA   ALA   8           HA       ALA   8   7.301  -6.898  -0.366
   57   1HB   ALA   8          1HB       ALA   8   5.476  -8.348   1.573
   58   2HB   ALA   8          2HB       ALA   8   7.237  -8.302   1.658
   59   3HB   ALA   8          3HB       ALA   8   6.439  -9.116   0.312
   60    H    VAL   9           H        VAL   9   4.020  -6.059   0.567
   61    HA   VAL   9           HA       VAL   9   2.758  -7.417  -1.663
   62    HB   VAL   9           HB       VAL   9   1.775  -5.207   0.158
   63   1HG1  VAL   9          1HG1      VAL   9   0.409  -6.806  -2.017
   64   2HG1  VAL   9          2HG1      VAL   9   0.469  -5.053  -1.832
   65   3HG1  VAL   9          3HG1      VAL   9  -0.492  -6.025  -0.718
   66   1HG2  VAL   9          1HG2      VAL   9   0.681  -6.949   1.366
   67   2HG2  VAL   9          2HG2      VAL   9   2.315  -7.549   1.077
   68   3HG2  VAL   9          3HG2      VAL   9   0.975  -8.124   0.085
   69   1HN   PF5  10          H         PF5  10   3.473  -3.940  -1.063
   70    HA   PF5  10           HA       PF5  10   2.890  -3.463  -3.942
   71   1HB   PF5  10          1HB       PF5  10   2.678  -1.127  -3.347
   72   2HB   PF5  10          2HB       PF5  10   3.344  -1.434  -1.737
   73    H    GLY  11           H        GLY  11   5.523  -3.518  -1.666
   74   1HA   GLY  11          2HA       GLY  11   7.816  -3.705  -2.393
   75   2HA   GLY  11          1HA       GLY  11   7.364  -2.945  -3.919
   76    H    MET  12           H        MET  12   5.955  -1.309  -1.331
   77    HA   MET  12           HA       MET  12   8.287   0.495  -0.965
   78   1HB   MET  12          2HB       MET  12   6.682   2.460  -1.319
   79   2HB   MET  12          1HB       MET  12   7.174   1.588  -2.772
   80   1HG   MET  12          2HG       MET  12   4.699   0.735  -1.297
   81   2HG   MET  12          1HG       MET  12   4.630   2.118  -2.388
   82   1HE   MET  12          1HE       MET  12   6.087   1.848  -4.828
   83   2HE   MET  12          2HE       MET  12   4.342   2.062  -4.713
   84   3HE   MET  12          3HE       MET  12   5.004   0.876  -5.834
   85    H    THR  13           H        THR  13   7.794   2.124   0.815
   86    HA   THR  13           HA       THR  13   6.503   0.711   3.038
   87    HB   THR  13           HB       THR  13   7.260   2.733   4.346
   88    HG1  THR  13           1HG      THR  13   7.222   3.943   2.188
   89   1HG2  THR  13          1HG2      THR  13   9.418   1.480   2.630
   90   2HG2  THR  13          2HG2      THR  13   8.666   0.679   4.008
   91   3HG2  THR  13          3HG2      THR  13   9.609   2.150   4.249
   92    H    ARG  14           H        ARG  14   4.774   1.667   4.321
   93    HA   ARG  14           HA       ARG  14   2.568   2.625   2.859
   94   1HB   ARG  14          2HB       ARG  14   3.278   2.878   5.787
   95   2HB   ARG  14          1HB       ARG  14   1.744   3.460   5.138
   96   1HG   ARG  14          2HG       ARG  14   2.588   0.679   4.435
   97   2HG   ARG  14          1HG       ARG  14   1.997   0.971   6.071
   98   1HD   ARG  14          2HD       ARG  14   0.508   1.718   3.533
   99   2HD   ARG  14          1HD       ARG  14   0.151   0.324   4.543
  100    HE   ARG  14           HE       ARG  14   0.059   2.480   6.297
  101   1HH1  ARG  14          1HH2      ARG  14  -1.389   1.670   3.265
  102   2HH1  ARG  14          2HH2      ARG  14  -2.864   2.516   3.598
  103   1HH2  ARG  14          1HH1      ARG  14  -1.858   3.592   6.735
  104   2HH2  ARG  14          2HH1      ARG  14  -3.128   3.600   5.559
  105    H    SER  15           H        SER  15   5.279   4.389   4.233
  106    HA   SER  15           HA       SER  15   4.088   7.005   4.147
  107   1HB   SER  15          2HB       SER  15   7.017   6.295   3.797
  108   2HB   SER  15          1HB       SER  15   6.364   7.855   4.290
  109    HG   SER  15           HG       SER  15   5.494   5.712   5.783
  110    H    ALA  16           H        ALA  16   6.107   5.215   1.811
  111    HA   ALA  16           HA       ALA  16   5.894   7.304  -0.205
  112   1HB   ALA  16          1HB       ALA  16   6.747   5.344  -1.696
  113   2HB   ALA  16          2HB       ALA  16   6.922   4.472  -0.174
  114   3HB   ALA  16          3HB       ALA  16   7.817   5.968  -0.441
  115    H    PHE  17           H        PHE  17   4.367   4.126   0.326
  116    HA   PHE  17           HA       PHE  17   2.771   4.064  -2.016
  117   1HB   PHE  17          2HB       PHE  17   3.058   2.192  -0.334
  118   2HB   PHE  17          1HB       PHE  17   1.922   3.048   0.709
  119    HD1  PHE  17           1HD      PHE  17   2.265   1.773  -2.800
  120    HD2  PHE  17           2HD      PHE  17  -0.376   2.665   0.469
  121    HE1  PHE  17           1HE      PHE  17   0.367   0.797  -4.066
  122    HE2  PHE  17           2HE      PHE  17  -2.273   1.690  -0.797
  123    HZ   PHE  17           HZ       PHE  17  -1.901   0.756  -3.064
  124    H    ALA  18           H        ALA  18   2.226   5.644   1.112
  125    HA   ALA  18           HA       ALA  18  -0.466   6.464   0.671
  126   1HB   ALA  18          1HB       ALA  18   1.778   7.770   2.240
  127   2HB   ALA  18          2HB       ALA  18   0.524   6.699   2.869
  128   3HB   ALA  18          3HB       ALA  18   0.100   8.313   2.294
  129    H    ASN  19           H        ASN  19   2.438   7.413  -0.864
  130    HA   ASN  19           HA       ASN  19   1.864  10.123  -1.532
  131   1HB   ASN  19          2HB       ASN  19   4.049   8.851  -1.891
  132   2HB   ASN  19          1HB       ASN  19   3.298   8.157  -3.329
  133   1HD2  ASN  19          1HD2      ASN  19   5.447   9.627  -3.982
  134   2HD2  ASN  19          2HD2      ASN  19   5.028  11.169  -4.556
  135    H    LEU  20           H        LEU  20   0.715   7.091  -2.910
  136    HA   LEU  20           HA       LEU  20  -0.336   8.170  -5.359
  137   1HB   LEU  20          2HB       LEU  20  -1.345   5.791  -3.770
  138   2HB   LEU  20          1HB       LEU  20  -1.632   6.103  -5.481
  139    HG   LEU  20           HG       LEU  20   1.102   5.695  -4.232
  140   1HD1  LEU  20          1HD1      LEU  20  -0.804   3.859  -5.680
  141   2HD1  LEU  20          2HD1      LEU  20   0.066   3.573  -4.173
  142   3HD1  LEU  20          3HD1      LEU  20   0.935   3.568  -5.708
  143   1HD2  LEU  20          1HD2      LEU  20   1.567   5.336  -6.796
  144   2HD2  LEU  20          2HD2      LEU  20   1.473   6.977  -6.157
  145   3HD2  LEU  20          3HD2      LEU  20   0.093   6.281  -7.006
  146    HA   PRO  21           HA       PRO  21  -3.921  10.523  -4.316
  147   1HB   PRO  21          2HB       PRO  21  -5.365   8.506  -6.026
  148   2HB   PRO  21          1HB       PRO  21  -5.519  10.277  -6.010
  149   1HG   PRO  21          2HG       PRO  21  -4.096   9.116  -7.889
  150   2HG   PRO  21          1HG       PRO  21  -3.496  10.591  -7.106
  151   1HD   PRO  21          2HD       PRO  21  -2.571   7.768  -6.747
  152   2HD   PRO  21          1HD       PRO  21  -1.641   9.278  -6.656
  153    H    LEU  22           H        LEU  22  -5.328  10.463  -2.609
  154    HA   LEU  22           HA       LEU  22  -5.455   8.322  -0.808
  155   1HB   LEU  22          2HB       LEU  22  -6.103  10.664  -0.292
  156   2HB   LEU  22          1HB       LEU  22  -7.578  10.445  -1.232
  157    HG   LEU  22           HG       LEU  22  -8.198   8.544   0.274
  158   1HD1  LEU  22          1HD1      LEU  22  -6.848   8.730   2.544
  159   2HD1  LEU  22          2HD1      LEU  22  -5.573   9.333   1.487
  160   3HD1  LEU  22          3HD1      LEU  22  -6.244   7.724   1.229
  161   1HD2  LEU  22          1HD2      LEU  22  -8.819   9.967   2.186
  162   2HD2  LEU  22          2HD2      LEU  22  -9.044  10.842   0.672
  163   3HD2  LEU  22          3HD2      LEU  22  -7.638  11.176   1.682
  164    H    TRP  23           H        TRP  23  -7.792   9.117  -3.392
  165    HA   TRP  23           HA       TRP  23  -9.583   6.956  -2.704
  166   1HB   TRP  23          2HB       TRP  23 -10.723   7.488  -4.766
  167   2HB   TRP  23          1HB       TRP  23 -10.215   9.006  -4.024
  168    HD1  TRP  23           HD       TRP  23  -8.476  10.466  -5.281
  169    HE1  TRP  23           1HE      TRP  23  -7.344  10.301  -7.592
  170    HE3  TRP  23           3HE      TRP  23  -9.793   5.704  -6.569
  171    HZ2  TRP  23           2HZ      TRP  23  -7.039   8.400  -9.707
  172    HZ3  TRP  23           3HZ      TRP  23  -9.069   4.742  -8.735
  173    HH2  TRP  23           HH       TRP  23  -7.695   6.082 -10.304
  174    H    ARG  24           H        ARG  24  -6.928   7.275  -5.049
  175    HA   ARG  24           HA       ARG  24  -7.349   4.804  -6.400
  176   1HB   ARG  24          2HB       ARG  24  -5.807   6.581  -7.195
  177   2HB   ARG  24          1HB       ARG  24  -4.711   6.196  -5.867
  178   1HG   ARG  24          2HG       ARG  24  -4.441   3.916  -6.704
  179   2HG   ARG  24          1HG       ARG  24  -5.605   4.226  -7.992
  180   1HD   ARG  24          2HD       ARG  24  -3.911   4.956  -9.277
  181   2HD   ARG  24          1HD       ARG  24  -3.698   6.302  -8.155
  182    HE   ARG  24           HE       ARG  24  -2.330   4.261  -6.920
  183   1HH1  ARG  24          1HH2      ARG  24  -2.397   5.588 -10.099
  184   2HH1  ARG  24          2HH2      ARG  24  -0.723   5.274 -10.411
  185   1HH2  ARG  24          1HH1      ARG  24  -0.140   3.845  -7.306
  186   2HH2  ARG  24          2HH1      ARG  24   0.556   4.288  -8.829
  187    H    GLN  25           H        GLN  25  -5.357   5.533  -3.516
  188    HA   GLN  25           HA       GLN  25  -4.131   3.045  -3.179
  189   1HB   GLN  25          2HB       GLN  25  -5.270   4.875  -1.052
  190   2HB   GLN  25          1HB       GLN  25  -4.185   3.523  -0.722
  191   1HG   GLN  25          2HG       GLN  25  -2.480   4.536  -2.209
  192   2HG   GLN  25          1HG       GLN  25  -3.557   5.902  -2.501
  193   1HE2  GLN  25          1HE2      GLN  25  -2.454   4.103   0.435
  194   2HE2  GLN  25          2HE2      GLN  25  -2.076   5.499   1.324
  195    H    GLN  26           H        GLN  26  -7.450   3.963  -2.205
  196    HA   GLN  26           HA       GLN  26  -8.097   1.444  -0.995
  197   1HB   GLN  26          2HB       GLN  26  -9.898   3.423  -2.427
  198   2HB   GLN  26          1HB       GLN  26 -10.464   2.084  -1.426
  199   1HG   GLN  26          2HG       GLN  26  -8.638   4.295  -0.441
  200   2HG   GLN  26          1HG       GLN  26 -10.384   4.262  -0.194
  201   1HE2  GLN  26          1HE2      GLN  26  -7.875   3.877   1.677
  202   2HE2  GLN  26          2HE2      GLN  26  -8.292   2.500   2.579
  203    H    ASN  27           H        ASN  27  -8.271   2.638  -4.319
  204    HA   ASN  27           HA       ASN  27  -9.579   0.394  -5.492
  205   1HB   ASN  27          2HB       ASN  27  -9.056   2.645  -6.578
  206   2HB   ASN  27          1HB       ASN  27  -7.414   2.048  -6.815
  207   1HD2  ASN  27          1HD2      ASN  27  -7.851   2.160  -9.198
  208   2HD2  ASN  27          2HD2      ASN  27  -8.746   0.924  -9.941
  209    H    LEU  28           H        LEU  28  -6.084   1.095  -5.154
  210    HA   LEU  28           HA       LEU  28  -5.282  -1.502  -6.163
  211   1HB   LEU  28          2HB       LEU  28  -3.686   0.415  -4.440
  212   2HB   LEU  28          1HB       LEU  28  -3.046  -0.860  -5.476
  213    HG   LEU  28           HG       LEU  28  -4.523   1.630  -6.372
  214   1HD1  LEU  28          1HD1      LEU  28  -1.694   0.643  -6.861
  215   2HD1  LEU  28          2HD1      LEU  28  -2.143   1.935  -5.749
  216   3HD1  LEU  28          3HD1      LEU  28  -2.388   2.140  -7.484
  217   1HD2  LEU  28          1HD2      LEU  28  -3.718  -0.896  -7.805
  218   2HD2  LEU  28          2HD2      LEU  28  -3.783   0.635  -8.677
  219   3HD2  LEU  28          3HD2      LEU  28  -5.235  -0.003  -7.907
  220    H    ARG  29           H        ARG  29  -5.951  -0.188  -2.949
  221    HA   ARG  29           HA       ARG  29  -4.870  -2.554  -1.608
  222   1HB   ARG  29          2HB       ARG  29  -6.416  -0.146  -0.638
  223   2HB   ARG  29          1HB       ARG  29  -5.947  -1.469   0.430
  224   1HG   ARG  29          2HG       ARG  29  -3.570  -1.141  -0.281
  225   2HG   ARG  29          1HG       ARG  29  -4.081   0.264  -1.216
  226   1HD   ARG  29          2HD       ARG  29  -4.611  -0.019   1.750
  227   2HD   ARG  29          1HD       ARG  29  -3.185   0.786   1.101
  228    HE   ARG  29           HE       ARG  29  -5.304   2.014  -0.204
  229   1HH1  ARG  29          1HH2      ARG  29  -4.404   1.367   3.064
  230   2HH1  ARG  29          2HH2      ARG  29  -5.178   2.782   3.694
  231   1HH2  ARG  29          1HH1      ARG  29  -6.317   3.861   0.601
  232   2HH2  ARG  29          2HH1      ARG  29  -6.261   4.194   2.299
  233    H    ARG  30           H        ARG  30  -8.169  -1.255  -2.189
  234    HA   ARG  30           HA       ARG  30  -9.533  -3.384  -0.869
  235   1HB   ARG  30          2HB       ARG  30 -10.601  -1.248  -1.657
  236   2HB   ARG  30          1HB       ARG  30 -10.513  -1.866  -3.307
  237   1HG   ARG  30          2HG       ARG  30 -11.899  -3.789  -2.694
  238   2HG   ARG  30          1HG       ARG  30 -11.928  -3.257  -1.012
  239   1HD   ARG  30          2HD       ARG  30 -13.019  -1.667  -3.353
  240   2HD   ARG  30          1HD       ARG  30 -13.996  -2.605  -2.225
  241    HE   ARG  30           HE       ARG  30 -12.543  -0.912  -0.584
  242   1HH1  ARG  30          1HH2      ARG  30 -14.563  -0.567  -3.359
  243   2HH1  ARG  30          2HH2      ARG  30 -15.141   1.001  -2.905
  244   1HH2  ARG  30          1HH1      ARG  30 -13.285   1.130   0.022
  245   2HH2  ARG  30          2HH1      ARG  30 -14.418   1.963  -0.991
  246    H    GLU  31           H        GLU  31  -8.476  -3.034  -4.256
  247    HA   GLU  31           HA       GLU  31  -9.525  -5.549  -5.162
  248   1HB   GLU  31          2HB       GLU  31  -7.186  -3.877  -6.131
  249   2HB   GLU  31          1HB       GLU  31  -7.784  -5.302  -6.980
  250   1HG   GLU  31          2HG       GLU  31  -9.495  -2.898  -6.289
  251   2HG   GLU  31          1HG       GLU  31  -8.724  -3.146  -7.856
  252    H    ARG  32           H        ARG  32  -6.947  -4.764  -3.068
  253    HA   ARG  32           HA       ARG  32  -5.449  -7.248  -3.626
  254   1HB   ARG  32          2HB       ARG  32  -4.417  -4.949  -3.034
  255   2HB   ARG  32          1HB       ARG  32  -4.886  -5.327  -1.376
  256   1HG   ARG  32          2HG       ARG  32  -2.770  -6.257  -1.399
  257   2HG   ARG  32          1HG       ARG  32  -3.710  -7.644  -1.947
  258   1HD   ARG  32          2HD       ARG  32  -3.302  -6.792  -4.328
  259   2HD   ARG  32          1HD       ARG  32  -2.100  -5.712  -3.625
  260    HE   ARG  32           HE       ARG  32  -1.414  -8.213  -2.638
  261   1HH1  ARG  32          1HH2      ARG  32  -2.013  -6.813  -5.732
  262   2HH1  ARG  32          2HH2      ARG  32  -0.900  -7.847  -6.563
  263   1HH2  ARG  32          1HH1      ARG  32   0.043  -9.572  -3.706
  264   2HH2  ARG  32          2HH1      ARG  32   0.265  -9.409  -5.416
  265    H    GLY  33           H        GLY  33  -8.053  -6.291  -1.643
  266   1HA   GLY  33          2HA       GLY  33  -9.262  -7.818  -0.234
  267   2HA   GLY  33          1HA       GLY  33  -7.829  -8.841  -0.157
  268    H    LEU  34           H        LEU  34  -6.809  -5.714   0.328
  269    HA   LEU  34           HA       LEU  34  -6.896  -6.108   3.290
  270   1HB   LEU  34          2HB       LEU  34  -4.997  -4.327   1.745
  271   2HB   LEU  34          1HB       LEU  34  -4.856  -4.850   3.423
  272    HG   LEU  34           HG       LEU  34  -4.749  -6.675   1.004
  273   1HD1  LEU  34          1HD1      LEU  34  -2.400  -6.834   1.391
  274   2HD1  LEU  34          2HD1      LEU  34  -2.525  -6.005   2.942
  275   3HD1  LEU  34          3HD1      LEU  34  -2.767  -5.110   1.442
  276   1HD2  LEU  34          1HD2      LEU  34  -3.875  -8.256   2.878
  277   2HD2  LEU  34          2HD2      LEU  34  -5.613  -7.972   2.777
  278   3HD2  LEU  34          3HD2      LEU  34  -4.650  -7.122   3.986
  279    H    PHE  35           H        PHE  35  -7.073  -4.082   4.585
  280    HA   PHE  35           HA       PHE  35  -8.300  -2.153   5.128
  281   1HB   PHE  35          2HB       PHE  35  -7.310  -1.514   2.341
  282   2HB   PHE  35          1HB       PHE  35  -8.170  -0.342   3.340
  283    HD1  PHE  35           1HD      PHE  35  -5.091  -2.366   3.019
  284    HD2  PHE  35           2HD      PHE  35  -7.143   0.639   5.303
  285    HE1  PHE  35           1HE      PHE  35  -2.986  -1.839   4.218
  286    HE2  PHE  35           2HE      PHE  35  -5.037   1.165   6.502
  287    HZ   PHE  35           HZ       PHE  35  -2.958  -0.074   5.960
  Start of MODEL   10
    1   1H    LEU   1          1HT       LEU   1   1.679  -0.119   8.966
    2   2H    LEU   1          2HT       LEU   1   2.533  -0.979  10.157
    3   3H    LEU   1          3HT       LEU   1   1.146  -0.092  10.576
    4    HA   LEU   1           HA       LEU   1   0.381  -2.271  10.517
    5   1HB   LEU   1          2HB       LEU   1  -0.095  -1.307   7.687
    6   2HB   LEU   1          1HB       LEU   1  -1.167  -2.282   8.692
    7    HG   LEU   1           HG       LEU   1  -0.371   0.595   9.221
    8   1HD1  LEU   1          1HD1      LEU   1  -3.102  -0.541   8.578
    9   2HD1  LEU   1          2HD1      LEU   1  -2.028   0.115   7.343
   10   3HD1  LEU   1          3HD1      LEU   1  -2.625   1.156   8.635
   11   1HD2  LEU   1          1HD2      LEU   1  -2.269   0.293  10.966
   12   2HD2  LEU   1          2HD2      LEU   1  -0.688  -0.389  11.347
   13   3HD2  LEU   1          3HD2      LEU   1  -1.984  -1.436  10.766
   14    H    SER   2           H        SER   2   2.122  -3.774  10.587
   15    HA   SER   2           HA       SER   2   3.652  -5.344   9.724
   16   1HB   SER   2          2HB       SER   2   2.659  -6.849   8.212
   17   2HB   SER   2          1HB       SER   2   1.268  -6.102   8.992
   18    HG   SER   2           HG       SER   2   0.906  -4.901   7.218
   19    H    ASP   3           H        ASP   3   4.912  -3.164   9.223
   20    HA   ASP   3           HA       ASP   3   5.132  -2.164   6.587
   21   1HB   ASP   3          2HB       ASP   3   6.249  -1.147   8.566
   22   2HB   ASP   3          1HB       ASP   3   7.373  -2.507   8.607
   23    H    GLU   4           H        GLU   4   6.499  -5.056   8.073
   24    HA   GLU   4           HA       GLU   4   8.240  -5.720   5.860
   25   1HB   GLU   4          2HB       GLU   4   8.371  -6.654   8.233
   26   2HB   GLU   4          1HB       GLU   4   6.991  -7.669   7.811
   27   1HG   GLU   4          2HG       GLU   4   8.286  -8.577   5.886
   28   2HG   GLU   4          1HG       GLU   4   9.678  -7.626   6.406
   29    H    ASP   5           H        ASP   5   5.033  -6.938   6.872
   30    HA   ASP   5           HA       ASP   5   4.650  -8.507   4.477
   31   1HB   ASP   5          2HB       ASP   5   3.425  -8.584   6.822
   32   2HB   ASP   5          1HB       ASP   5   2.340  -7.423   6.055
   33    H    PHE   6           H        PHE   6   3.513  -5.291   5.509
   34    HA   PHE   6           HA       PHE   6   1.946  -4.666   3.240
   35   1HB   PHE   6          2HB       PHE   6   1.981  -3.252   5.244
   36   2HB   PHE   6          1HB       PHE   6   3.665  -2.827   4.932
   37    HD1  PHE   6           1HD      PHE   6   0.177  -2.340   3.884
   38    HD2  PHE   6           2HD      PHE   6   4.279  -1.370   3.055
   39    HE1  PHE   6           1HE      PHE   6  -0.560  -0.501   2.393
   40    HE2  PHE   6           2HE      PHE   6   3.542   0.470   1.563
   41    HZ   PHE   6           HZ       PHE   6   1.123   0.904   1.232
   42    H    ARG   7           H        ARG   7   5.346  -3.686   3.816
   43    HA   ARG   7           HA       ARG   7   5.871  -2.570   1.309
   44   1HB   ARG   7          2HB       ARG   7   7.447  -2.579   3.250
   45   2HB   ARG   7          1HB       ARG   7   7.801  -4.274   2.916
   46   1HG   ARG   7          2HG       ARG   7   8.576  -3.661   0.649
   47   2HG   ARG   7          1HG       ARG   7   8.240  -1.965   0.998
   48   1HD   ARG   7          2HD       ARG   7  10.180  -3.708   2.542
   49   2HD   ARG   7          1HD       ARG   7  10.636  -2.511   1.333
   50    HE   ARG   7           HE       ARG   7   9.089  -1.086   3.146
   51   1HH1  ARG   7          1HH2      ARG   7  11.852  -3.144   3.282
   52   2HH1  ARG   7          2HH2      ARG   7  12.540  -2.351   4.659
   53   1HH2  ARG   7          1HH1      ARG   7   9.970  -0.040   4.940
   54   2HH2  ARG   7          2HH1      ARG   7  11.474  -0.592   5.599
   55    H    ALA   8           H        ALA   8   5.843  -5.992   2.214
   56    HA   ALA   8           HA       ALA   8   6.926  -6.974  -0.264
   57   1HB   ALA   8          1HB       ALA   8   5.011  -8.409   1.592
   58   2HB   ALA   8          2HB       ALA   8   6.743  -8.276   1.896
   59   3HB   ALA   8          3HB       ALA   8   6.160  -9.142   0.475
   60    H    VAL   9           H        VAL   9   3.692  -6.016   0.729
   61    HA   VAL   9           HA       VAL   9   2.371  -7.324  -1.509
   62    HB   VAL   9           HB       VAL   9   1.429  -5.167   0.397
   63   1HG1  VAL   9          1HG1      VAL   9  -0.853  -5.944  -0.452
   64   2HG1  VAL   9          2HG1      VAL   9   0.011  -6.718  -1.780
   65   3HG1  VAL   9          3HG1      VAL   9   0.093  -4.968  -1.575
   66   1HG2  VAL   9          1HG2      VAL   9   1.987  -7.527   1.249
   67   2HG2  VAL   9          2HG2      VAL   9   0.635  -8.084   0.262
   68   3HG2  VAL   9          3HG2      VAL   9   0.356  -6.942   1.577
   69   1HN   PF5  10          H         PF5  10   3.146  -3.880  -0.807
   70    HA   PF5  10           HA       PF5  10   2.553  -3.322  -3.677
   71   1HB   PF5  10          1HB       PF5  10   2.199  -1.038  -3.033
   72   2HB   PF5  10          2HB       PF5  10   2.923  -1.314  -1.442
   73    H    GLY  11           H        GLY  11   5.169  -4.208  -2.019
   74   1HA   GLY  11          2HA       GLY  11   7.474  -3.867  -2.306
   75   2HA   GLY  11          1HA       GLY  11   7.047  -3.328  -3.930
   76    H    MET  12           H        MET  12   5.654  -1.611  -1.266
   77    HA   MET  12           HA       MET  12   7.763   0.474  -1.393
   78   1HB   MET  12          2HB       MET  12   5.619   0.751  -3.018
   79   2HB   MET  12          1HB       MET  12   4.970   1.475  -1.546
   80   1HG   MET  12          2HG       MET  12   7.089   2.869  -1.425
   81   2HG   MET  12          1HG       MET  12   7.472   2.284  -3.045
   82   1HE   MET  12          1HE       MET  12   4.769   3.497  -5.304
   83   2HE   MET  12          2HE       MET  12   4.236   2.178  -4.264
   84   3HE   MET  12          3HE       MET  12   5.894   2.204  -4.862
   85    H    THR  13           H        THR  13   7.551   2.039   0.393
   86    HA   THR  13           HA       THR  13   6.650   0.731   2.840
   87    HB   THR  13           HB       THR  13   7.346   3.037   3.818
   88    HG1  THR  13           1HG      THR  13   7.295   3.694   1.363
   89   1HG2  THR  13          1HG2      THR  13   9.711   2.421   3.687
   90   2HG2  THR  13          2HG2      THR  13   9.379   1.372   2.307
   91   3HG2  THR  13          3HG2      THR  13   8.725   0.973   3.896
   92    H    ARG  14           H        ARG  14   4.986   1.516   4.249
   93    HA   ARG  14           HA       ARG  14   2.588   2.371   3.005
   94   1HB   ARG  14          2HB       ARG  14   3.447   2.644   5.902
   95   2HB   ARG  14          1HB       ARG  14   1.796   2.860   5.319
   96   1HG   ARG  14          2HG       ARG  14   1.881   0.528   4.391
   97   2HG   ARG  14          1HG       ARG  14   3.455   0.327   5.160
   98   1HD   ARG  14          2HD       ARG  14   0.777   0.748   6.498
   99   2HD   ARG  14          1HD       ARG  14   1.909  -0.579   6.723
  100    HE   ARG  14           HE       ARG  14   1.959   1.915   8.146
  101   1HH1  ARG  14          1HH2      ARG  14   3.986  -0.387   6.553
  102   2HH1  ARG  14          2HH2      ARG  14   5.389   0.007   7.490
  103   1HH2  ARG  14          1HH1      ARG  14   3.781   2.429   9.379
  104   2HH2  ARG  14          2HH1      ARG  14   5.271   1.599   9.085
  105    H    SER  15           H        SER  15   5.267   4.228   4.333
  106    HA   SER  15           HA       SER  15   3.868   6.750   4.466
  107   1HB   SER  15          2HB       SER  15   6.057   7.751   4.704
  108   2HB   SER  15          1HB       SER  15   6.062   6.238   5.606
  109    HG   SER  15           HG       SER  15   6.917   5.314   3.572
  110    H    ALA  16           H        ALA  16   5.982   5.269   2.004
  111    HA   ALA  16           HA       ALA  16   5.617   7.466   0.133
  112   1HB   ALA  16          1HB       ALA  16   7.613   6.236  -0.182
  113   2HB   ALA  16          2HB       ALA  16   6.572   5.695  -1.499
  114   3HB   ALA  16          3HB       ALA  16   6.777   4.688  -0.066
  115    H    PHE  17           H        PHE  17   4.174   4.256   0.599
  116    HA   PHE  17           HA       PHE  17   2.614   4.163  -1.772
  117   1HB   PHE  17          2HB       PHE  17   2.939   2.302  -0.062
  118   2HB   PHE  17          1HB       PHE  17   1.724   3.115   0.926
  119    HD1  PHE  17           1HD      PHE  17   2.284   1.793  -2.536
  120    HD2  PHE  17           2HD      PHE  17  -0.555   2.690   0.562
  121    HE1  PHE  17           1HE      PHE  17   0.484   0.737  -3.878
  122    HE2  PHE  17           2HE      PHE  17  -2.354   1.636  -0.781
  123    HZ   PHE  17           HZ       PHE  17  -1.834   0.660  -3.001
  124    H    ALA  18           H        ALA  18   1.968   5.671   1.378
  125    HA   ALA  18           HA       ALA  18  -0.727   6.443   0.898
  126   1HB   ALA  18          1HB       ALA  18   0.185   6.684   3.116
  127   2HB   ALA  18          2HB       ALA  18  -0.207   8.305   2.542
  128   3HB   ALA  18          3HB       ALA  18   1.467   7.746   2.534
  129    H    ASN  19           H        ASN  19   2.204   7.524  -0.525
  130    HA   ASN  19           HA       ASN  19   1.519  10.212  -1.194
  131   1HB   ASN  19          2HB       ASN  19   3.786   9.070  -1.450
  132   2HB   ASN  19          1HB       ASN  19   3.150   8.344  -2.926
  133   1HD2  ASN  19          1HD2      ASN  19   3.659   9.542  -4.755
  134   2HD2  ASN  19          2HD2      ASN  19   3.848  11.228  -4.800
  135    H    LEU  20           H        LEU  20   0.750   7.132  -2.777
  136    HA   LEU  20           HA       LEU  20  -0.251   8.098  -5.236
  137   1HB   LEU  20          2HB       LEU  20  -1.368   5.815  -3.578
  138   2HB   LEU  20          1HB       LEU  20  -1.587   6.044  -5.314
  139    HG   LEU  20           HG       LEU  20   1.083   5.650  -3.928
  140   1HD1  LEU  20          1HD1      LEU  20  -0.740   3.807  -5.483
  141   2HD1  LEU  20          2HD1      LEU  20  -0.048   3.558  -3.879
  142   3HD1  LEU  20          3HD1      LEU  20   0.984   3.483  -5.307
  143   1HD2  LEU  20          1HD2      LEU  20   1.591   6.870  -5.855
  144   2HD2  LEU  20          2HD2      LEU  20   0.228   6.207  -6.756
  145   3HD2  LEU  20          3HD2      LEU  20   1.658   5.217  -6.467
  146    HA   PRO  21           HA       PRO  21  -3.863  10.542  -4.554
  147   1HB   PRO  21          2HB       PRO  21  -5.225   8.437  -6.229
  148   2HB   PRO  21          1HB       PRO  21  -5.363  10.207  -6.323
  149   1HG   PRO  21          2HG       PRO  21  -3.840   8.927  -8.043
  150   2HG   PRO  21          1HG       PRO  21  -3.279  10.445  -7.316
  151   1HD   PRO  21          2HD       PRO  21  -2.390   7.647  -6.738
  152   2HD   PRO  21          1HD       PRO  21  -1.462   9.161  -6.669
  153    H    LEU  22           H        LEU  22  -5.524  10.592  -3.055
  154    HA   LEU  22           HA       LEU  22  -5.735   8.577  -1.087
  155   1HB   LEU  22          2HB       LEU  22  -6.406  10.951  -0.780
  156   2HB   LEU  22          1HB       LEU  22  -7.815  10.664  -1.801
  157    HG   LEU  22           HG       LEU  22  -8.545   8.875  -0.215
  158   1HD1  LEU  22          1HD1      LEU  22  -5.997   9.733   1.111
  159   2HD1  LEU  22          2HD1      LEU  22  -6.668   8.113   0.922
  160   3HD1  LEU  22          3HD1      LEU  22  -7.343   9.212   2.124
  161   1HD2  LEU  22          1HD2      LEU  22  -8.062  11.494   1.228
  162   2HD2  LEU  22          2HD2      LEU  22  -9.425  10.391   1.419
  163   3HD2  LEU  22          3HD2      LEU  22  -9.250  11.329  -0.065
  164    H    TRP  23           H        TRP  23  -7.733   9.109  -3.978
  165    HA   TRP  23           HA       TRP  23  -9.627   7.018  -3.237
  166   1HB   TRP  23          2HB       TRP  23 -10.643   7.439  -5.389
  167   2HB   TRP  23          1HB       TRP  23 -10.199   8.994  -4.683
  168    HD1  TRP  23           HD       TRP  23  -8.466  10.448  -5.931
  169    HE1  TRP  23           1HE      TRP  23  -7.168  10.193  -8.145
  170    HE3  TRP  23           3HE      TRP  23  -9.497   5.563  -7.001
  171    HZ2  TRP  23           2HZ      TRP  23  -6.640   8.182 -10.111
  172    HZ3  TRP  23           3HZ      TRP  23  -8.586   4.504  -9.047
  173    HH2  TRP  23           HH       TRP  23  -7.159   5.806 -10.602
  174    H    ARG  24           H        ARG  24  -6.729   7.211  -5.246
  175    HA   ARG  24           HA       ARG  24  -7.106   4.692  -6.583
  176   1HB   ARG  24          2HB       ARG  24  -5.536   6.462  -7.362
  177   2HB   ARG  24          1HB       ARG  24  -4.504   6.118  -5.974
  178   1HG   ARG  24          2HG       ARG  24  -4.208   3.807  -6.726
  179   2HG   ARG  24          1HG       ARG  24  -5.298   4.090  -8.083
  180   1HD   ARG  24          2HD       ARG  24  -3.518   4.756  -9.288
  181   2HD   ARG  24          1HD       ARG  24  -3.383   6.152  -8.213
  182    HE   ARG  24           HE       ARG  24  -2.090   4.159  -6.815
  183   1HH1  ARG  24          1HH2      ARG  24  -1.948   5.407 -10.024
  184   2HH1  ARG  24          2HH2      ARG  24  -0.252   5.109 -10.210
  185   1HH2  ARG  24          1HH1      ARG  24   0.127   3.763  -7.036
  186   2HH2  ARG  24          2HH1      ARG  24   0.923   4.179  -8.516
  187    H    GLN  25           H        GLN  25  -5.108   5.561  -3.727
  188    HA   GLN  25           HA       GLN  25  -3.994   3.064  -3.200
  189   1HB   GLN  25          2HB       GLN  25  -4.095   3.717  -0.762
  190   2HB   GLN  25          1HB       GLN  25  -3.393   4.940  -1.824
  191   1HG   GLN  25          2HG       GLN  25  -5.612   6.072  -1.945
  192   2HG   GLN  25          1HG       GLN  25  -6.250   4.892  -0.799
  193   1HE2  GLN  25          1HE2      GLN  25  -5.780   5.193   1.423
  194   2HE2  GLN  25          2HE2      GLN  25  -4.833   6.470   2.017
  195    H    GLN  26           H        GLN  26  -7.292   4.155  -2.367
  196    HA   GLN  26           HA       GLN  26  -8.021   1.728  -0.992
  197   1HB   GLN  26          2HB       GLN  26  -9.723   3.756  -2.475
  198   2HB   GLN  26          1HB       GLN  26 -10.374   2.447  -1.489
  199   1HG   GLN  26          2HG       GLN  26  -9.158   3.324   0.476
  200   2HG   GLN  26          1HG       GLN  26  -8.526   4.643  -0.510
  201   1HE2  GLN  26          1HE2      GLN  26 -10.041   5.392   1.685
  202   2HE2  GLN  26          2HE2      GLN  26 -11.569   5.946   1.193
  203    H    ASN  27           H        ASN  27  -8.054   2.747  -4.364
  204    HA   ASN  27           HA       ASN  27  -9.527   0.529  -5.424
  205   1HB   ASN  27          2HB       ASN  27  -8.954   2.679  -6.637
  206   2HB   ASN  27          1HB       ASN  27  -7.311   2.065  -6.812
  207   1HD2  ASN  27          1HD2      ASN  27 -10.720   1.127  -7.529
  208   2HD2  ASN  27          2HD2      ASN  27 -10.335   0.249  -8.931
  209    H    LEU  28           H        LEU  28  -5.993   1.090  -5.235
  210    HA   LEU  28           HA       LEU  28  -5.306  -1.559  -6.138
  211   1HB   LEU  28          2HB       LEU  28  -3.631   0.297  -4.425
  212   2HB   LEU  28          1HB       LEU  28  -3.048  -1.005  -5.460
  213    HG   LEU  28           HG       LEU  28  -4.418   1.545  -6.360
  214   1HD1  LEU  28          1HD1      LEU  28  -2.047   1.803  -5.750
  215   2HD1  LEU  28          2HD1      LEU  28  -2.248   1.929  -7.497
  216   3HD1  LEU  28          3HD1      LEU  28  -1.624   0.439  -6.787
  217   1HD2  LEU  28          1HD2      LEU  28  -3.701  -1.008  -7.793
  218   2HD2  LEU  28          2HD2      LEU  28  -3.718   0.527  -8.662
  219   3HD2  LEU  28          3HD2      LEU  28  -5.189  -0.067  -7.892
  220    H    ARG  29           H        ARG  29  -5.926  -0.170  -2.945
  221    HA   ARG  29           HA       ARG  29  -4.881  -2.466  -1.511
  222   1HB   ARG  29          2HB       ARG  29  -6.585  -0.106  -0.719
  223   2HB   ARG  29          1HB       ARG  29  -6.207  -1.401   0.418
  224   1HG   ARG  29          2HG       ARG  29  -3.798  -1.042   0.043
  225   2HG   ARG  29          1HG       ARG  29  -4.164   0.245  -1.105
  226   1HD   ARG  29          2HD       ARG  29  -4.931   0.237   1.829
  227   2HD   ARG  29          1HD       ARG  29  -3.620   1.173   1.115
  228    HE   ARG  29           HE       ARG  29  -5.851   1.916  -0.356
  229   1HH1  ARG  29          1HH2      ARG  29  -4.982   1.770   2.981
  230   2HH1  ARG  29          2HH2      ARG  29  -5.981   3.110   3.434
  231   1HH2  ARG  29          1HH1      ARG  29  -7.157   3.662   0.219
  232   2HH2  ARG  29          2HH1      ARG  29  -7.213   4.181   1.871
  233    H    ARG  30           H        ARG  30  -8.207  -1.401  -2.346
  234    HA   ARG  30           HA       ARG  30  -9.437  -3.703  -1.108
  235   1HB   ARG  30          2HB       ARG  30 -10.374  -1.696  -3.160
  236   2HB   ARG  30          1HB       ARG  30 -11.384  -3.063  -2.684
  237   1HG   ARG  30          2HG       ARG  30 -11.368  -2.354  -0.372
  238   2HG   ARG  30          1HG       ARG  30 -10.174  -1.102  -0.716
  239   1HD   ARG  30          2HD       ARG  30 -12.946  -1.199  -1.938
  240   2HD   ARG  30          1HD       ARG  30 -12.502  -0.204  -0.553
  241    HE   ARG  30           HE       ARG  30 -10.646   0.493  -2.487
  242   1HH1  ARG  30          1HH2      ARG  30 -14.082   0.279  -2.291
  243   2HH1  ARG  30          2HH2      ARG  30 -14.359   1.570  -3.413
  244   1HH2  ARG  30          1HH1      ARG  30 -10.987   2.176  -3.949
  245   2HH2  ARG  30          2HH1      ARG  30 -12.605   2.644  -4.352
  246    H    GLU  31           H        GLU  31  -8.138  -3.038  -4.321
  247    HA   GLU  31           HA       GLU  31  -9.183  -5.211  -5.775
  248   1HB   GLU  31          2HB       GLU  31  -7.661  -3.400  -6.669
  249   2HB   GLU  31          1HB       GLU  31  -6.310  -4.239  -5.909
  250   1HG   GLU  31          2HG       GLU  31  -6.895  -6.283  -7.219
  251   2HG   GLU  31          1HG       GLU  31  -8.153  -5.358  -8.040
  252    H    ARG  32           H        ARG  32  -6.816  -5.151  -3.209
  253    HA   ARG  32           HA       ARG  32  -6.249  -8.045  -3.655
  254   1HB   ARG  32          2HB       ARG  32  -4.763  -5.962  -2.029
  255   2HB   ARG  32          1HB       ARG  32  -4.306  -7.663  -2.143
  256   1HG   ARG  32          2HG       ARG  32  -4.052  -7.439  -4.584
  257   2HG   ARG  32          1HG       ARG  32  -4.521  -5.742  -4.480
  258   1HD   ARG  32          2HD       ARG  32  -2.533  -5.768  -2.649
  259   2HD   ARG  32          1HD       ARG  32  -1.964  -7.051  -3.716
  260    HE   ARG  32           HE       ARG  32  -1.738  -4.309  -4.309
  261   1HH1  ARG  32          1HH2      ARG  32  -3.055  -7.188  -5.674
  262   2HH1  ARG  32          2HH2      ARG  32  -2.835  -6.671  -7.312
  263   1HH2  ARG  32          1HH1      ARG  32  -1.444  -3.617  -6.439
  264   2HH2  ARG  32          2HH1      ARG  32  -1.924  -4.647  -7.746
  265    H    GLY  33           H        GLY  33  -8.260  -6.118  -1.822
  266   1HA   GLY  33          2HA       GLY  33  -9.671  -6.776  -0.037
  267   2HA   GLY  33          1HA       GLY  33  -8.820  -8.320   0.012
  268    H    LEU  34           H        LEU  34  -6.385  -6.157   0.061
  269    HA   LEU  34           HA       LEU  34  -6.250  -6.251   3.031
  270   1HB   LEU  34          2HB       LEU  34  -4.057  -5.470   1.094
  271   2HB   LEU  34          1HB       LEU  34  -3.880  -5.911   2.793
  272    HG   LEU  34           HG       LEU  34  -4.862  -7.751   0.592
  273   1HD1  LEU  34          1HD1      LEU  34  -2.236  -7.524   2.083
  274   2HD1  LEU  34          2HD1      LEU  34  -2.496  -7.417   0.342
  275   3HD1  LEU  34          3HD1      LEU  34  -2.701  -8.960   1.171
  276   1HD2  LEU  34          1HD2      LEU  34  -4.557  -8.023   3.578
  277   2HD2  LEU  34          2HD2      LEU  34  -4.422  -9.439   2.535
  278   3HD2  LEU  34          3HD2      LEU  34  -5.915  -8.500   2.559
  279    H    PHE  35           H        PHE  35  -6.492  -4.406   4.210
  280    HA   PHE  35           HA       PHE  35  -5.699  -1.797   3.269
  281   1HB   PHE  35          2HB       PHE  35  -7.853  -0.785   2.914
  282   2HB   PHE  35          1HB       PHE  35  -7.798  -2.235   1.910
  283    HD1  PHE  35           1HD      PHE  35  -9.375  -0.601   4.764
  284    HD2  PHE  35           2HD      PHE  35  -8.961  -4.317   2.650
  285    HE1  PHE  35           1HE      PHE  35 -11.379  -1.486   5.926
  286    HE2  PHE  35           2HE      PHE  35 -10.965  -5.201   3.811
  287    HZ   PHE  35           HZ       PHE  35 -12.175  -3.786   5.450
  Start of MODEL   11
    1   1H    LEU   1          1HT       LEU   1   2.620  -1.623  10.588
    2   2H    LEU   1          2HT       LEU   1   1.619  -1.243  11.907
    3   3H    LEU   1          3HT       LEU   1   1.666  -0.222  10.549
    4    HA   LEU   1           HA       LEU   1   0.140  -2.617  10.995
    5   1HB   LEU   1          2HB       LEU   1   0.050  -0.192   9.201
    6   2HB   LEU   1          1HB       LEU   1  -1.075  -1.532   8.982
    7    HG   LEU   1           HG       LEU   1  -1.753  -1.310  11.370
    8   1HD1  LEU   1          1HD1      LEU   1   0.236   0.955  11.226
    9   2HD1  LEU   1          2HD1      LEU   1   0.126  -0.334  12.425
   10   3HD1  LEU   1          3HD1      LEU   1  -1.072   0.959  12.410
   11   1HD2  LEU   1          1HD2      LEU   1  -2.899   0.943  11.073
   12   2HD2  LEU   1          2HD2      LEU   1  -3.143  -0.200   9.753
   13   3HD2  LEU   1          3HD2      LEU   1  -1.986   1.119   9.575
   14    H    SER   2           H        SER   2   1.353  -4.419  10.308
   15    HA   SER   2           HA       SER   2   2.436  -5.852   8.784
   16   1HB   SER   2          2HB       SER   2   1.298  -5.684   6.439
   17   2HB   SER   2          1HB       SER   2   0.327  -6.194   7.816
   18    HG   SER   2           HG       SER   2  -0.654  -4.523   6.545
   19    H    ASP   3           H        ASP   3   3.701  -3.238   9.163
   20    HA   ASP   3           HA       ASP   3   4.469  -1.975   6.757
   21   1HB   ASP   3          2HB       ASP   3   5.066  -1.113   9.000
   22   2HB   ASP   3          1HB       ASP   3   6.178  -2.465   9.219
   23    H    GLU   4           H        GLU   4   5.558  -4.990   8.212
   24    HA   GLU   4           HA       GLU   4   7.763  -5.345   6.331
   25   1HB   GLU   4          2HB       GLU   4   7.606  -6.388   8.658
   26   2HB   GLU   4          1HB       GLU   4   6.408  -7.491   7.980
   27   1HG   GLU   4          2HG       GLU   4   8.070  -8.176   6.249
   28   2HG   GLU   4          1HG       GLU   4   9.270  -7.151   7.039
   29    H    ASP   5           H        ASP   5   4.645  -7.043   6.809
   30    HA   ASP   5           HA       ASP   5   4.746  -8.449   4.317
   31   1HB   ASP   5          2HB       ASP   5   2.452  -7.658   6.128
   32   2HB   ASP   5          1HB       ASP   5   2.221  -8.624   4.670
   33    H    PHE   6           H        PHE   6   3.376  -5.312   5.245
   34    HA   PHE   6           HA       PHE   6   2.012  -4.699   2.844
   35   1HB   PHE   6          2HB       PHE   6   1.842  -3.307   4.864
   36   2HB   PHE   6          1HB       PHE   6   3.532  -2.835   4.693
   37    HD1  PHE   6           1HD      PHE   6   0.128  -2.419   3.384
   38    HD2  PHE   6           2HD      PHE   6   4.258  -1.360   2.861
   39    HE1  PHE   6           1HE      PHE   6  -0.536  -0.590   1.846
   40    HE2  PHE   6           2HE      PHE   6   3.594   0.469   1.323
   41    HZ   PHE   6           HZ       PHE   6   1.197   0.854   0.817
   42    H    ARG   7           H        ARG   7   5.322  -3.653   3.743
   43    HA   ARG   7           HA       ARG   7   6.055  -2.501   1.307
   44   1HB   ARG   7          2HB       ARG   7   7.440  -2.514   3.394
   45   2HB   ARG   7          1HB       ARG   7   7.870  -4.191   3.054
   46   1HG   ARG   7          2HG       ARG   7   8.802  -3.482   0.861
   47   2HG   ARG   7          1HG       ARG   7   8.434  -1.806   1.268
   48   1HD   ARG   7          2HD       ARG   7  10.258  -3.631   2.860
   49   2HD   ARG   7          1HD       ARG   7  10.794  -2.357   1.768
   50    HE   ARG   7           HE       ARG   7   9.098  -1.055   3.539
   51   1HH1  ARG   7          1HH2      ARG   7  11.858  -3.110   3.765
   52   2HH1  ARG   7          2HH2      ARG   7  12.426  -2.404   5.241
   53   1HH2  ARG   7          1HH1      ARG   7   9.823  -0.124   5.461
   54   2HH2  ARG   7          2HH1      ARG   7  11.274  -0.713   6.201
   55    H    ALA   8           H        ALA   8   5.969  -5.931   2.161
   56    HA   ALA   8           HA       ALA   8   7.302  -6.854  -0.228
   57   1HB   ALA   8          1HB       ALA   8   7.097  -8.240   1.806
   58   2HB   ALA   8          2HB       ALA   8   6.410  -9.065   0.407
   59   3HB   ALA   8          3HB       ALA   8   5.349  -8.298   1.589
   60    H    VAL   9           H        VAL   9   3.973  -6.010   0.525
   61    HA   VAL   9           HA       VAL   9   2.855  -7.338  -1.802
   62    HB   VAL   9           HB       VAL   9   1.738  -5.205   0.032
   63   1HG1  VAL   9          1HG1      VAL   9   0.545  -4.978  -2.017
   64   2HG1  VAL   9          2HG1      VAL   9  -0.464  -6.017  -1.011
   65   3HG1  VAL   9          3HG1      VAL   9   0.528  -6.721  -2.287
   66   1HG2  VAL   9          1HG2      VAL   9   0.588  -7.004   1.099
   67   2HG2  VAL   9          2HG2      VAL   9   2.246  -7.570   0.897
   68   3HG2  VAL   9          3HG2      VAL   9   0.985  -8.126  -0.202
   69   1HN   PF5  10          H         PF5  10   3.511  -3.878  -1.065
   70    HA   PF5  10           HA       PF5  10   3.060  -3.317  -3.954
   71   1HB   PF5  10          1HB       PF5  10   2.812  -0.997  -3.296
   72   2HB   PF5  10          2HB       PF5  10   3.385  -1.360  -1.662
   73    H    GLY  11           H        GLY  11   5.615  -3.914  -1.854
   74   1HA   GLY  11          2HA       GLY  11   7.930  -3.811  -2.273
   75   2HA   GLY  11          1HA       GLY  11   7.555  -3.179  -3.876
   76    H    MET  12           H        MET  12   6.339  -1.666  -0.950
   77    HA   MET  12           HA       MET  12   8.465   0.320  -0.818
   78   1HB   MET  12          2HB       MET  12   6.946   2.241  -1.434
   79   2HB   MET  12          1HB       MET  12   7.381   1.201  -2.791
   80   1HG   MET  12          2HG       MET  12   5.209  -0.095  -2.236
   81   2HG   MET  12          1HG       MET  12   4.769   1.327  -1.291
   82   1HE   MET  12          1HE       MET  12   6.199   3.770  -3.382
   83   2HE   MET  12          2HE       MET  12   5.106   3.558  -2.016
   84   3HE   MET  12          3HE       MET  12   4.486   4.183  -3.541
   85    H    THR  13           H        THR  13   8.105   1.819   0.965
   86    HA   THR  13           HA       THR  13   6.645   0.611   3.151
   87    HB   THR  13           HB       THR  13   7.245   2.845   4.292
   88    HG1  THR  13           1HG      THR  13   7.451   3.979   2.295
   89   1HG2  THR  13          1HG2      THR  13   8.575   0.755   4.490
   90   2HG2  THR  13          2HG2      THR  13   9.593   2.195   4.508
   91   3HG2  THR  13          3HG2      THR  13   9.476   1.215   3.045
   92    H    ARG  14           H        ARG  14   4.808   1.533   4.269
   93    HA   ARG  14           HA       ARG  14   2.678   2.400   2.630
   94   1HB   ARG  14          2HB       ARG  14   3.092   2.854   5.600
   95   2HB   ARG  14          1HB       ARG  14   1.560   3.065   4.753
   96   1HG   ARG  14          2HG       ARG  14   1.757   0.659   3.990
   97   2HG   ARG  14          1HG       ARG  14   3.131   0.497   5.084
   98   1HD   ARG  14          2HD       ARG  14   0.253   1.087   5.804
   99   2HD   ARG  14          1HD       ARG  14   1.252  -0.256   6.342
  100    HE   ARG  14           HE       ARG  14   1.133   2.338   7.576
  101   1HH1  ARG  14          1HH2      ARG  14   3.317  -0.158   6.603
  102   2HH1  ARG  14          2HH2      ARG  14   4.516   0.253   7.785
  103   1HH2  ARG  14          1HH1      ARG  14   2.686   2.875   9.125
  104   2HH2  ARG  14          2HH1      ARG  14   4.158   1.968   9.208
  105    H    SER  15           H        SER  15   5.222   4.248   4.201
  106    HA   SER  15           HA       SER  15   3.970   6.822   4.075
  107   1HB   SER  15          2HB       SER  15   6.200   7.735   4.342
  108   2HB   SER  15          1HB       SER  15   6.083   6.288   5.340
  109    HG   SER  15           HG       SER  15   6.846   5.683   2.819
  110    H    ALA  16           H        ALA  16   6.037   5.067   1.768
  111    HA   ALA  16           HA       ALA  16   5.923   7.187  -0.221
  112   1HB   ALA  16          1HB       ALA  16   6.807   5.325  -1.736
  113   2HB   ALA  16          2HB       ALA  16   6.779   4.286  -0.312
  114   3HB   ALA  16          3HB       ALA  16   7.807   5.719  -0.338
  115    H    PHE  17           H        PHE  17   4.187   4.144   0.356
  116    HA   PHE  17           HA       PHE  17   2.677   4.109  -2.061
  117   1HB   PHE  17          2HB       PHE  17   2.839   2.251  -0.328
  118   2HB   PHE  17          1HB       PHE  17   1.682   3.166   0.640
  119    HD1  PHE  17           1HD      PHE  17   2.149   1.852  -2.844
  120    HD2  PHE  17           2HD      PHE  17  -0.606   2.822   0.307
  121    HE1  PHE  17           1HE      PHE  17   0.285   0.921  -4.187
  122    HE2  PHE  17           2HE      PHE  17  -2.470   1.890  -1.037
  123    HZ   PHE  17           HZ       PHE  17  -2.024   0.940  -3.285
  124    H    ALA  18           H        ALA  18   2.190   5.809   0.999
  125    HA   ALA  18           HA       ALA  18  -0.475   6.709   0.547
  126   1HB   ALA  18          1HB       ALA  18   1.807   8.068   2.015
  127   2HB   ALA  18          2HB       ALA  18   0.621   6.971   2.721
  128   3HB   ALA  18          3HB       ALA  18   0.114   8.551   2.120
  129    H    ASN  19           H        ASN  19   2.451   7.492  -1.043
  130    HA   ASN  19           HA       ASN  19   1.978  10.192  -1.811
  131   1HB   ASN  19          2HB       ASN  19   3.387   7.980  -3.338
  132   2HB   ASN  19          1HB       ASN  19   3.515   9.704  -3.694
  133   1HD2  ASN  19          1HD2      ASN  19   5.830   8.200  -2.970
  134   2HD2  ASN  19          2HD2      ASN  19   6.362   8.725  -1.446
  135    H    LEU  20           H        LEU  20   0.736   7.152  -3.113
  136    HA   LEU  20           HA       LEU  20  -0.341   8.240  -5.553
  137   1HB   LEU  20          2HB       LEU  20  -1.301   5.851  -3.944
  138   2HB   LEU  20          1HB       LEU  20  -1.668   6.178  -5.639
  139    HG   LEU  20           HG       LEU  20   1.127   5.778  -4.530
  140   1HD1  LEU  20          1HD1      LEU  20   0.893   3.641  -5.983
  141   2HD1  LEU  20          2HD1      LEU  20  -0.844   3.921  -5.861
  142   3HD1  LEU  20          3HD1      LEU  20   0.111   3.652  -4.402
  143   1HD2  LEU  20          1HD2      LEU  20   1.394   7.046  -6.477
  144   2HD2  LEU  20          2HD2      LEU  20  -0.035   6.352  -7.244
  145   3HD2  LEU  20          3HD2      LEU  20   1.447   5.403  -7.118
  146    HA   PRO  21           HA       PRO  21  -3.904  10.591  -4.441
  147   1HB   PRO  21          2HB       PRO  21  -5.387   8.589  -6.135
  148   2HB   PRO  21          1HB       PRO  21  -5.528  10.360  -6.112
  149   1HG   PRO  21          2HG       PRO  21  -4.144   9.195  -8.017
  150   2HG   PRO  21          1HG       PRO  21  -3.519  10.662  -7.238
  151   1HD   PRO  21          2HD       PRO  21  -2.617   7.826  -6.898
  152   2HD   PRO  21          1HD       PRO  21  -1.668   9.326  -6.830
  153    H    LEU  22           H        LEU  22  -5.182  10.518  -2.649
  154    HA   LEU  22           HA       LEU  22  -5.329   8.384  -0.877
  155   1HB   LEU  22          2HB       LEU  22  -6.128  10.899  -0.708
  156   2HB   LEU  22          1HB       LEU  22  -7.701  10.201  -1.089
  157    HG   LEU  22           HG       LEU  22  -5.897   9.298   1.176
  158   1HD1  LEU  22          1HD1      LEU  22  -8.384  11.022   1.093
  159   2HD1  LEU  22          2HD1      LEU  22  -6.799  11.450   1.738
  160   3HD1  LEU  22          3HD1      LEU  22  -7.798  10.256   2.569
  161   1HD2  LEU  22          1HD2      LEU  22  -7.169   7.416   0.590
  162   2HD2  LEU  22          2HD2      LEU  22  -8.553   8.389   0.089
  163   3HD2  LEU  22          3HD2      LEU  22  -8.189   8.189   1.804
  164    H    TRP  23           H        TRP  23  -7.922   9.274  -3.199
  165    HA   TRP  23           HA       TRP  23  -9.606   7.067  -2.568
  166   1HB   TRP  23          2HB       TRP  23 -10.783   7.584  -4.611
  167   2HB   TRP  23          1HB       TRP  23 -10.259   9.108  -3.894
  168    HD1  TRP  23           HD       TRP  23  -8.506  10.538  -5.181
  169    HE1  TRP  23           1HE      TRP  23  -7.434  10.354  -7.518
  170    HE3  TRP  23           3HE      TRP  23  -9.941   5.801  -6.438
  171    HZ2  TRP  23           2HZ      TRP  23  -7.214   8.447  -9.641
  172    HZ3  TRP  23           3HZ      TRP  23  -9.287   4.826  -8.620
  173    HH2  TRP  23           HH       TRP  23  -7.927   6.142 -10.222
  174    H    ARG  24           H        ARG  24  -7.040   7.382  -5.023
  175    HA   ARG  24           HA       ARG  24  -7.477   4.884  -6.309
  176   1HB   ARG  24          2HB       ARG  24  -5.986   6.661  -7.191
  177   2HB   ARG  24          1HB       ARG  24  -4.838   6.313  -5.898
  178   1HG   ARG  24          2HG       ARG  24  -4.567   4.023  -6.703
  179   2HG   ARG  24          1HG       ARG  24  -5.783   4.293  -7.951
  180   1HD   ARG  24          2HD       ARG  24  -4.167   5.051  -9.316
  181   2HD   ARG  24          1HD       ARG  24  -3.887   6.388  -8.197
  182    HE   ARG  24           HE       ARG  24  -2.478   4.317  -7.051
  183   1HH1  ARG  24          1HH2      ARG  24  -2.683   5.704 -10.199
  184   2HH1  ARG  24          2HH2      ARG  24  -1.026   5.390 -10.592
  185   1HH2  ARG  24          1HH1      ARG  24  -0.310   3.900  -7.543
  186   2HH2  ARG  24          2HH1      ARG  24   0.318   4.370  -9.087
  187    H    GLN  25           H        GLN  25  -5.373   5.676  -3.522
  188    HA   GLN  25           HA       GLN  25  -4.127   3.193  -3.196
  189   1HB   GLN  25          2HB       GLN  25  -5.158   5.061  -1.047
  190   2HB   GLN  25          1HB       GLN  25  -4.041   3.726  -0.760
  191   1HG   GLN  25          2HG       GLN  25  -2.399   4.722  -2.277
  192   2HG   GLN  25          1HG       GLN  25  -3.523   6.021  -2.677
  193   1HE2  GLN  25          1HE2      GLN  25  -2.308   7.761  -1.762
  194   2HE2  GLN  25          2HE2      GLN  25  -1.987   7.887  -0.100
  195    H    GLN  26           H        GLN  26  -7.390   4.143  -2.078
  196    HA   GLN  26           HA       GLN  26  -7.960   1.619  -0.809
  197   1HB   GLN  26          2HB       GLN  26  -9.830   3.662  -2.050
  198   2HB   GLN  26          1HB       GLN  26 -10.352   2.297  -1.061
  199   1HG   GLN  26          2HG       GLN  26  -8.401   4.416  -0.117
  200   2HG   GLN  26          1HG       GLN  26 -10.131   4.447   0.226
  201   1HE2  GLN  26          1HE2      GLN  26  -7.682   4.003   2.052
  202   2HE2  GLN  26          2HE2      GLN  26  -8.050   2.569   2.884
  203    H    ASN  27           H        ASN  27  -8.296   2.840  -4.100
  204    HA   ASN  27           HA       ASN  27  -9.785   0.662  -5.194
  205   1HB   ASN  27          2HB       ASN  27  -9.257   2.907  -6.293
  206   2HB   ASN  27          1HB       ASN  27  -7.661   2.251  -6.657
  207   1HD2  ASN  27          1HD2      ASN  27  -8.236   2.378  -8.998
  208   2HD2  ASN  27          2HD2      ASN  27  -9.246   1.198  -9.683
  209    H    LEU  28           H        LEU  28  -6.249   1.248  -5.184
  210    HA   LEU  28           HA       LEU  28  -5.612  -1.355  -6.259
  211   1HB   LEU  28          2HB       LEU  28  -3.837   0.466  -4.609
  212   2HB   LEU  28          1HB       LEU  28  -3.312  -0.806  -5.710
  213    HG   LEU  28           HG       LEU  28  -4.779   1.737  -6.468
  214   1HD1  LEU  28          1HD1      LEU  28  -1.977   0.719  -7.040
  215   2HD1  LEU  28          2HD1      LEU  28  -2.399   2.066  -5.983
  216   3HD1  LEU  28          3HD1      LEU  28  -2.678   2.188  -7.721
  217   1HD2  LEU  28          1HD2      LEU  28  -4.164   0.781  -8.826
  218   2HD2  LEU  28          2HD2      LEU  28  -5.587   0.147  -8.000
  219   3HD2  LEU  28          3HD2      LEU  28  -4.079  -0.769  -7.988
  220    H    ARG  29           H        ARG  29  -6.021  -0.102  -2.979
  221    HA   ARG  29           HA       ARG  29  -4.890  -2.488  -1.743
  222   1HB   ARG  29          2HB       ARG  29  -6.419  -0.114  -0.672
  223   2HB   ARG  29          1HB       ARG  29  -5.930  -1.461   0.357
  224   1HG   ARG  29          2HG       ARG  29  -3.578  -1.122  -0.301
  225   2HG   ARG  29          1HG       ARG  29  -4.059   0.217  -1.342
  226   1HD   ARG  29          2HD       ARG  29  -4.629   0.150   1.630
  227   2HD   ARG  29          1HD       ARG  29  -3.193   0.902   0.941
  228    HE   ARG  29           HE       ARG  29  -5.297   2.039  -0.470
  229   1HH1  ARG  29          1HH2      ARG  29  -4.417   1.633   2.842
  230   2HH1  ARG  29          2HH2      ARG  29  -5.187   3.095   3.360
  231   1HH2  ARG  29          1HH1      ARG  29  -6.304   3.945   0.190
  232   2HH2  ARG  29          2HH1      ARG  29  -6.256   4.404   1.859
  233    H    ARG  30           H        ARG  30  -8.209  -1.291  -2.343
  234    HA   ARG  30           HA       ARG  30  -9.518  -3.416  -0.938
  235   1HB   ARG  30          2HB       ARG  30 -10.561  -1.251  -1.855
  236   2HB   ARG  30          1HB       ARG  30 -10.634  -2.081  -3.412
  237   1HG   ARG  30          2HG       ARG  30 -12.629  -2.882  -2.683
  238   2HG   ARG  30          1HG       ARG  30 -11.662  -3.973  -1.689
  239   1HD   ARG  30          2HD       ARG  30 -12.892  -1.332  -0.885
  240   2HD   ARG  30          1HD       ARG  30 -13.179  -2.921  -0.181
  241    HE   ARG  30           HE       ARG  30 -10.471  -2.515   0.209
  242   1HH1  ARG  30          1HH2      ARG  30 -13.367  -0.760   0.854
  243   2HH1  ARG  30          2HH2      ARG  30 -12.742   0.010   2.275
  244   1HH2  ARG  30          1HH1      ARG  30  -9.638  -1.523   2.056
  245   2HH2  ARG  30          2HH1      ARG  30 -10.629  -0.424   2.955
  246    H    GLU  31           H        GLU  31  -8.548  -3.087  -4.357
  247    HA   GLU  31           HA       GLU  31  -9.539  -5.637  -5.210
  248   1HB   GLU  31          2HB       GLU  31  -7.204  -3.986  -6.232
  249   2HB   GLU  31          1HB       GLU  31  -7.879  -5.383  -7.069
  250   1HG   GLU  31          2HG       GLU  31  -9.469  -2.915  -6.316
  251   2HG   GLU  31          1HG       GLU  31  -8.775  -3.205  -7.912
  252    H    ARG  32           H        ARG  32  -6.887  -4.741  -3.221
  253    HA   ARG  32           HA       ARG  32  -5.338  -7.180  -3.751
  254   1HB   ARG  32          2HB       ARG  32  -4.374  -4.887  -3.116
  255   2HB   ARG  32          1HB       ARG  32  -4.910  -5.248  -1.474
  256   1HG   ARG  32          2HG       ARG  32  -2.774  -6.129  -1.387
  257   2HG   ARG  32          1HG       ARG  32  -3.660  -7.547  -1.950
  258   1HD   ARG  32          2HD       ARG  32  -3.170  -6.671  -4.331
  259   2HD   ARG  32          1HD       ARG  32  -1.972  -5.633  -3.560
  260    HE   ARG  32           HE       ARG  32  -1.405  -8.169  -2.578
  261   1HH1  ARG  32          1HH2      ARG  32  -1.806  -6.700  -5.672
  262   2HH1  ARG  32          2HH2      ARG  32  -0.680  -7.750  -6.464
  263   1HH2  ARG  32          1HH1      ARG  32   0.068  -9.548  -3.595
  264   2HH2  ARG  32          2HH1      ARG  32   0.381  -9.363  -5.288
  265    H    GLY  33           H        GLY  33  -7.815  -6.152  -1.517
  266   1HA   GLY  33          2HA       GLY  33  -9.060  -7.682  -0.144
  267   2HA   GLY  33          1HA       GLY  33  -7.752  -8.853  -0.311
  268    H    LEU  34           H        LEU  34  -6.404  -5.871   0.374
  269    HA   LEU  34           HA       LEU  34  -6.132  -6.637   3.245
  270   1HB   LEU  34          2HB       LEU  34  -4.452  -4.641   1.709
  271   2HB   LEU  34          1HB       LEU  34  -4.080  -5.390   3.262
  272    HG   LEU  34           HG       LEU  34  -4.340  -6.867   0.626
  273   1HD1  LEU  34          1HD1      LEU  34  -1.920  -7.142   0.774
  274   2HD1  LEU  34          2HD1      LEU  34  -1.886  -6.273   2.308
  275   3HD1  LEU  34          3HD1      LEU  34  -2.309  -5.422   0.822
  276   1HD2  LEU  34          1HD2      LEU  34  -3.810  -7.710   3.474
  277   2HD2  LEU  34          2HD2      LEU  34  -3.212  -8.674   2.123
  278   3HD2  LEU  34          3HD2      LEU  34  -4.945  -8.402   2.313
  279    H    PHE  35           H        PHE  35  -6.069  -4.794   4.814
  280    HA   PHE  35           HA       PHE  35  -7.180  -2.969   5.793
  281   1HB   PHE  35          2HB       PHE  35  -6.622  -1.964   2.995
  282   2HB   PHE  35          1HB       PHE  35  -7.326  -0.941   4.247
  283    HD1  PHE  35           1HD      PHE  35  -4.334  -2.883   3.257
  284    HD2  PHE  35           2HD      PHE  35  -6.018  -0.161   6.121
  285    HE1  PHE  35           1HE      PHE  35  -2.074  -2.470   4.193
  286    HE2  PHE  35           2HE      PHE  35  -3.759   0.251   7.059
  287    HZ   PHE  35           HZ       PHE  35  -1.787  -0.904   6.094
  Start of MODEL   12
    1   1H    LEU   1          1HT       LEU   1   0.700  -0.714   8.390
    2   2H    LEU   1          2HT       LEU   1   0.666  -1.153  10.030
    3   3H    LEU   1          3HT       LEU   1  -0.656  -0.341   9.338
    4    HA   LEU   1           HA       LEU   1  -0.989  -2.781   9.679
    5   1HB   LEU   1          2HB       LEU   1  -2.237  -1.338   8.009
    6   2HB   LEU   1          1HB       LEU   1  -1.081  -1.875   6.790
    7    HG   LEU   1           HG       LEU   1  -1.715  -4.276   7.634
    8   1HD1  LEU   1          1HD1      LEU   1  -4.141  -4.326   8.334
    9   2HD1  LEU   1          2HD1      LEU   1  -4.053  -2.577   8.548
   10   3HD1  LEU   1          3HD1      LEU   1  -3.054  -3.638   9.543
   11   1HD2  LEU   1          1HD2      LEU   1  -2.199  -3.534   5.382
   12   2HD2  LEU   1          2HD2      LEU   1  -3.517  -2.509   5.952
   13   3HD2  LEU   1          3HD2      LEU   1  -3.668  -4.265   6.029
   14    H    SER   2           H        SER   2   0.836  -4.088  10.092
   15    HA   SER   2           HA       SER   2   2.703  -5.433   9.576
   16   1HB   SER   2          2HB       SER   2   0.609  -6.474   8.401
   17   2HB   SER   2          1HB       SER   2   1.370  -5.904   6.919
   18    HG   SER   2           HG       SER   2   2.427  -7.671   8.871
   19    H    ASP   3           H        ASP   3   3.862  -3.215   9.308
   20    HA   ASP   3           HA       ASP   3   4.413  -2.096   6.767
   21   1HB   ASP   3          2HB       ASP   3   6.234  -2.329   9.184
   22   2HB   ASP   3          1HB       ASP   3   6.523  -1.269   7.804
   23    H    GLU   4           H        GLU   4   5.695  -4.962   8.351
   24    HA   GLU   4           HA       GLU   4   7.860  -5.384   6.470
   25   1HB   GLU   4          2HB       GLU   4   7.640  -6.416   8.800
   26   2HB   GLU   4          1HB       GLU   4   6.452  -7.513   8.096
   27   1HG   GLU   4          2HG       GLU   4   8.152  -8.210   6.407
   28   2HG   GLU   4          1HG       GLU   4   9.339  -7.192   7.225
   29    H    ASP   5           H        ASP   5   4.650  -6.915   6.865
   30    HA   ASP   5           HA       ASP   5   4.826  -8.376   4.379
   31   1HB   ASP   5          2HB       ASP   5   3.276  -8.821   6.404
   32   2HB   ASP   5          1HB       ASP   5   2.244  -7.567   5.717
   33    H    PHE   6           H        PHE   6   3.295  -5.307   5.328
   34    HA   PHE   6           HA       PHE   6   1.984  -4.672   2.925
   35   1HB   PHE   6          2HB       PHE   6   1.777  -3.290   4.936
   36   2HB   PHE   6          1HB       PHE   6   3.472  -2.819   4.810
   37    HD1  PHE   6           1HD      PHE   6   0.093  -2.293   3.537
   38    HD2  PHE   6           2HD      PHE   6   4.250  -1.414   2.904
   39    HE1  PHE   6           1HE      PHE   6  -0.531  -0.445   2.006
   40    HE2  PHE   6           2HE      PHE   6   3.625   0.434   1.372
   41    HZ   PHE   6           HZ       PHE   6   1.235   0.919   0.923
   42    H    ARG   7           H        ARG   7   5.287  -3.618   3.841
   43    HA   ARG   7           HA       ARG   7   6.016  -2.435   1.416
   44   1HB   ARG   7          2HB       ARG   7   7.390  -2.472   3.520
   45   2HB   ARG   7          1HB       ARG   7   7.850  -4.132   3.138
   46   1HG   ARG   7          2HG       ARG   7   8.797  -3.367   0.985
   47   2HG   ARG   7          1HG       ARG   7   8.354  -1.707   1.385
   48   1HD   ARG   7          2HD       ARG   7   9.739  -2.559   3.634
   49   2HD   ARG   7          1HD       ARG   7  10.632  -3.295   2.306
   50    HE   ARG   7           HE       ARG   7  10.824  -0.578   2.985
   51   1HH1  ARG   7          1HH2      ARG   7   9.977  -2.513   0.260
   52   2HH1  ARG   7          2HH2      ARG   7  10.532  -1.355  -0.901
   53   1HH2  ARG   7          1HH1      ARG   7  11.552   0.943   1.487
   54   2HH2  ARG   7          2HH1      ARG   7  11.424   0.602  -0.206
   55    H    ALA   8           H        ALA   8   6.017  -5.877   2.258
   56    HA   ALA   8           HA       ALA   8   7.334  -6.769  -0.142
   57   1HB   ALA   8          1HB       ALA   8   5.341  -8.315   1.533
   58   2HB   ALA   8          2HB       ALA   8   7.035  -8.116   1.978
   59   3HB   ALA   8          3HB       ALA   8   6.606  -8.978   0.500
   60    H    VAL   9           H        VAL   9   3.993  -5.972   0.619
   61    HA   VAL   9           HA       VAL   9   2.849  -7.299  -1.677
   62    HB   VAL   9           HB       VAL   9   1.806  -5.044   0.053
   63   1HG1  VAL   9          1HG1      VAL   9  -0.420  -5.801  -0.946
   64   2HG1  VAL   9          2HG1      VAL   9   0.526  -6.652  -2.168
   65   3HG1  VAL   9          3HG1      VAL   9   0.639  -4.897  -2.029
   66   1HG2  VAL   9          1HG2      VAL   9   2.234  -7.370   1.045
   67   2HG2  VAL   9          2HG2      VAL   9   0.968  -7.951  -0.036
   68   3HG2  VAL   9          3HG2      VAL   9   0.591  -6.752   1.201
   69   1HN   PF5  10          H         PF5  10   3.614  -3.832  -1.085
   70    HA   PF5  10           HA       PF5  10   3.248  -3.401  -4.009
   71   1HB   PF5  10          1HB       PF5  10   2.988  -1.060  -3.486
   72   2HB   PF5  10          2HB       PF5  10   3.553  -1.320  -1.830
   73    H    GLY  11           H        GLY  11   5.716  -3.850  -1.736
   74   1HA   GLY  11          2HA       GLY  11   8.046  -3.870  -2.139
   75   2HA   GLY  11          1HA       GLY  11   7.732  -3.237  -3.755
   76    H    MET  12           H        MET  12   6.378  -1.621  -0.978
   77    HA   MET  12           HA       MET  12   8.583   0.296  -0.761
   78   1HB   MET  12          2HB       MET  12   7.385   2.227  -1.567
   79   2HB   MET  12          1HB       MET  12   7.306   0.999  -2.831
   80   1HG   MET  12          2HG       MET  12   5.091   0.345  -1.417
   81   2HG   MET  12          1HG       MET  12   5.145   2.082  -1.110
   82   1HE   MET  12          1HE       MET  12   4.978   3.750  -4.495
   83   2HE   MET  12          2HE       MET  12   6.438   3.355  -3.592
   84   3HE   MET  12          3HE       MET  12   4.997   3.891  -2.731
   85    H    THR  13           H        THR  13   8.256   1.760   1.037
   86    HA   THR  13           HA       THR  13   6.705   0.609   3.184
   87    HB   THR  13           HB       THR  13   7.345   2.844   4.323
   88    HG1  THR  13           1HG      THR  13   7.680   3.871   2.245
   89   1HG2  THR  13          1HG2      THR  13   8.575   0.759   4.690
   90   2HG2  THR  13          2HG2      THR  13   9.704   2.107   4.556
   91   3HG2  THR  13          3HG2      THR  13   9.477   1.008   3.195
   92    H    ARG  14           H        ARG  14   4.903   1.638   4.296
   93    HA   ARG  14           HA       ARG  14   2.805   2.517   2.631
   94   1HB   ARG  14          2HB       ARG  14   3.240   3.090   5.578
   95   2HB   ARG  14          1HB       ARG  14   1.714   3.308   4.722
   96   1HG   ARG  14          2HG       ARG  14   1.910   0.845   4.045
   97   2HG   ARG  14          1HG       ARG  14   3.196   0.724   5.246
   98   1HD   ARG  14          2HD       ARG  14   1.161   0.085   6.367
   99   2HD   ARG  14          1HD       ARG  14   1.567   1.698   6.936
  100    HE   ARG  14           HE       ARG  14  -0.099   2.118   4.738
  101   1HH1  ARG  14          1HH2      ARG  14  -0.236   0.333   7.694
  102   2HH1  ARG  14          2HH2      ARG  14  -1.947   0.528   7.882
  103   1HH2  ARG  14          1HH1      ARG  14  -2.332   2.370   4.971
  104   2HH2  ARG  14          2HH1      ARG  14  -3.130   1.681   6.345
  105    H    SER  15           H        SER  15   5.415   4.343   4.114
  106    HA   SER  15           HA       SER  15   4.269   6.953   3.909
  107   1HB   SER  15          2HB       SER  15   7.191   6.205   3.573
  108   2HB   SER  15          1HB       SER  15   6.555   7.788   4.015
  109    HG   SER  15           HG       SER  15   5.795   5.573   5.540
  110    H    ALA  16           H        ALA  16   6.212   5.052   1.603
  111    HA   ALA  16           HA       ALA  16   6.086   7.095  -0.460
  112   1HB   ALA  16          1HB       ALA  16   7.921   5.602  -0.637
  113   2HB   ALA  16          2HB       ALA  16   6.826   5.104  -1.927
  114   3HB   ALA  16          3HB       ALA  16   6.893   4.185  -0.422
  115    H    PHE  17           H        PHE  17   4.360   4.040   0.176
  116    HA   PHE  17           HA       PHE  17   2.738   4.014  -2.148
  117   1HB   PHE  17          2HB       PHE  17   2.932   2.197  -0.368
  118   2HB   PHE  17          1HB       PHE  17   1.809   3.151   0.601
  119    HD1  PHE  17           1HD      PHE  17   2.185   1.720  -2.846
  120    HD2  PHE  17           2HD      PHE  17  -0.494   2.848   0.317
  121    HE1  PHE  17           1HE      PHE  17   0.280   0.777  -4.123
  122    HE2  PHE  17           2HE      PHE  17  -2.399   1.904  -0.960
  123    HZ   PHE  17           HZ       PHE  17  -2.012   0.870  -3.181
  124    H    ALA  18           H        ALA  18   2.438   5.834   0.857
  125    HA   ALA  18           HA       ALA  18  -0.243   6.758   0.480
  126   1HB   ALA  18          1HB       ALA  18   1.986   8.335   1.785
  127   2HB   ALA  18          2HB       ALA  18   1.196   6.974   2.581
  128   3HB   ALA  18          3HB       ALA  18   0.262   8.406   2.144
  129    H    ASN  19           H        ASN  19   2.382   7.199  -1.485
  130    HA   ASN  19           HA       ASN  19   2.084   9.998  -2.176
  131   1HB   ASN  19          2HB       ASN  19   3.568   9.490  -4.030
  132   2HB   ASN  19          1HB       ASN  19   4.150   8.638  -2.600
  133   1HD2  ASN  19          1HD2      ASN  19   4.336   7.962  -5.603
  134   2HD2  ASN  19          2HD2      ASN  19   3.749   6.371  -5.700
  135    H    LEU  20           H        LEU  20   0.476   7.054  -3.152
  136    HA   LEU  20           HA       LEU  20  -0.646   8.140  -5.613
  137   1HB   LEU  20          2HB       LEU  20  -1.834   5.858  -4.041
  138   2HB   LEU  20          1HB       LEU  20  -1.808   6.095  -5.788
  139    HG   LEU  20           HG       LEU  20   0.592   5.491  -4.033
  140   1HD1  LEU  20          1HD1      LEU  20  -1.095   3.881  -5.945
  141   2HD1  LEU  20          2HD1      LEU  20  -0.587   3.466  -4.307
  142   3HD1  LEU  20          3HD1      LEU  20   0.583   3.438  -5.626
  143   1HD2  LEU  20          1HD2      LEU  20   1.679   5.230  -6.351
  144   2HD2  LEU  20          2HD2      LEU  20   1.366   6.879  -5.809
  145   3HD2  LEU  20          3HD2      LEU  20   0.289   6.115  -6.978
  146    HA   PRO  21           HA       PRO  21  -4.087  10.564  -4.267
  147   1HB   PRO  21          2HB       PRO  21  -5.723   8.589  -5.846
  148   2HB   PRO  21          1HB       PRO  21  -5.821  10.363  -5.824
  149   1HG   PRO  21          2HG       PRO  21  -4.600   9.160  -7.814
  150   2HG   PRO  21          1HG       PRO  21  -3.887  10.613  -7.086
  151   1HD   PRO  21          2HD       PRO  21  -3.038   7.754  -6.791
  152   2HD   PRO  21          1HD       PRO  21  -2.045   9.228  -6.806
  153    H    LEU  22           H        LEU  22  -5.362  10.532  -2.456
  154    HA   LEU  22           HA       LEU  22  -5.367   8.408  -0.637
  155   1HB   LEU  22          2HB       LEU  22  -5.965  10.764  -0.103
  156   2HB   LEU  22          1HB       LEU  22  -7.516  10.529  -0.908
  157    HG   LEU  22           HG       LEU  22  -7.987   8.639   0.671
  158   1HD1  LEU  22          1HD1      LEU  22  -5.948   7.865   1.480
  159   2HD1  LEU  22          2HD1      LEU  22  -6.463   8.886   2.823
  160   3HD1  LEU  22          3HD1      LEU  22  -5.285   9.490   1.657
  161   1HD2  LEU  22          1HD2      LEU  22  -8.867  10.893   1.113
  162   2HD2  LEU  22          2HD2      LEU  22  -7.366  11.333   1.928
  163   3HD2  LEU  22          3HD2      LEU  22  -8.423  10.108   2.629
  164    H    TRP  23           H        TRP  23  -7.926   9.212  -3.003
  165    HA   TRP  23           HA       TRP  23  -9.644   7.044  -2.168
  166   1HB   TRP  23          2HB       TRP  23 -10.968   7.586  -4.114
  167   2HB   TRP  23          1HB       TRP  23 -10.397   9.100  -3.411
  168    HD1  TRP  23           HD       TRP  23  -8.789  10.576  -4.815
  169    HE1  TRP  23           1HE      TRP  23  -7.871  10.428  -7.219
  170    HE3  TRP  23           3HE      TRP  23 -10.193   5.812  -6.002
  171    HZ2  TRP  23           2HZ      TRP  23  -7.748   8.538  -9.363
  172    HZ3  TRP  23           3HZ      TRP  23  -9.664   4.863  -8.229
  173    HH2  TRP  23           HH       TRP  23  -8.444   6.218  -9.910
  174    H    ARG  24           H        ARG  24  -7.200   7.375  -4.729
  175    HA   ARG  24           HA       ARG  24  -7.751   4.912  -6.055
  176   1HB   ARG  24          2HB       ARG  24  -6.291   6.702  -6.976
  177   2HB   ARG  24          1HB       ARG  24  -5.073   6.299  -5.765
  178   1HG   ARG  24          2HG       ARG  24  -4.873   4.038  -6.652
  179   2HG   ARG  24          1HG       ARG  24  -6.179   4.341  -7.798
  180   1HD   ARG  24          2HD       ARG  24  -4.599   5.019  -9.255
  181   2HD   ARG  24          1HD       ARG  24  -4.383   6.439  -8.228
  182    HE   ARG  24           HE       ARG  24  -2.795   4.547  -7.009
  183   1HH1  ARG  24          1HH2      ARG  24  -3.193   5.715 -10.226
  184   2HH1  ARG  24          2HH2      ARG  24  -1.531   5.493 -10.657
  185   1HH2  ARG  24          1HH1      ARG  24  -0.619   4.251  -7.550
  186   2HH2  ARG  24          2HH1      ARG  24  -0.072   4.665  -9.141
  187    H    GLN  25           H        GLN  25  -5.531   5.630  -3.345
  188    HA   GLN  25           HA       GLN  25  -4.255   3.153  -3.134
  189   1HB   GLN  25          2HB       GLN  25  -5.232   4.967  -0.916
  190   2HB   GLN  25          1HB       GLN  25  -4.139   3.604  -0.667
  191   1HG   GLN  25          2HG       GLN  25  -2.524   4.604  -2.251
  192   2HG   GLN  25          1HG       GLN  25  -3.611   5.973  -2.494
  193   1HE2  GLN  25          1HE2      GLN  25  -1.960   4.228   0.197
  194   2HE2  GLN  25          2HE2      GLN  25  -1.685   5.622   1.128
  195    H    GLN  26           H        GLN  26  -7.504   4.022  -1.924
  196    HA   GLN  26           HA       GLN  26  -8.020   1.489  -0.671
  197   1HB   GLN  26          2HB       GLN  26  -9.946   3.465  -1.932
  198   2HB   GLN  26          1HB       GLN  26 -10.424   2.104  -0.917
  199   1HG   GLN  26          2HG       GLN  26  -9.125   3.019   0.956
  200   2HG   GLN  26          1HG       GLN  26  -8.593   4.363  -0.055
  201   1HE2  GLN  26          1HE2      GLN  26 -10.164   4.663   2.400
  202   2HE2  GLN  26          2HE2      GLN  26 -11.652   5.350   1.957
  203    H    ASN  27           H        ASN  27  -8.415   2.692  -3.966
  204    HA   ASN  27           HA       ASN  27  -9.820   0.450  -5.044
  205   1HB   ASN  27          2HB       ASN  27  -9.447   2.687  -6.173
  206   2HB   ASN  27          1HB       ASN  27  -7.790   2.175  -6.494
  207   1HD2  ASN  27          1HD2      ASN  27 -11.187   1.081  -7.025
  208   2HD2  ASN  27          2HD2      ASN  27 -10.858   0.301  -8.498
  209    H    LEU  28           H        LEU  28  -6.313   1.188  -5.052
  210    HA   LEU  28           HA       LEU  28  -5.568  -1.378  -6.142
  211   1HB   LEU  28          2HB       LEU  28  -3.869   0.505  -4.484
  212   2HB   LEU  28          1HB       LEU  28  -3.292  -0.736  -5.595
  213    HG   LEU  28           HG       LEU  28  -4.852   1.759  -6.322
  214   1HD1  LEU  28          1HD1      LEU  28  -2.835   2.453  -7.420
  215   2HD1  LEU  28          2HD1      LEU  28  -2.095   0.867  -7.199
  216   3HD1  LEU  28          3HD1      LEU  28  -2.360   1.917  -5.808
  217   1HD2  LEU  28          1HD2      LEU  28  -5.643   0.159  -7.853
  218   2HD2  LEU  28          2HD2      LEU  28  -4.114  -0.719  -7.869
  219   3HD2  LEU  28          3HD2      LEU  28  -4.247   0.832  -8.697
  220    H    ARG  29           H        ARG  29  -6.053  -0.175  -2.859
  221    HA   ARG  29           HA       ARG  29  -4.806  -2.513  -1.637
  222   1HB   ARG  29          2HB       ARG  29  -6.438  -0.215  -0.554
  223   2HB   ARG  29          1HB       ARG  29  -5.898  -1.547   0.468
  224   1HG   ARG  29          2HG       ARG  29  -3.556  -1.110  -0.212
  225   2HG   ARG  29          1HG       ARG  29  -4.104   0.246  -1.197
  226   1HD   ARG  29          2HD       ARG  29  -4.469  -0.004   1.804
  227   2HD   ARG  29          1HD       ARG  29  -3.285   1.024   0.998
  228    HE   ARG  29           HE       ARG  29  -5.703   1.807  -0.104
  229   1HH1  ARG  29          1HH2      ARG  29  -4.409   1.427   3.071
  230   2HH1  ARG  29          2HH2      ARG  29  -5.372   2.694   3.756
  231   1HH2  ARG  29          1HH1      ARG  29  -6.962   3.459   0.771
  232   2HH2  ARG  29          2HH1      ARG  29  -6.818   3.844   2.454
  233    H    ARG  30           H        ARG  30  -8.184  -1.448  -2.178
  234    HA   ARG  30           HA       ARG  30  -9.351  -3.705  -0.836
  235   1HB   ARG  30          2HB       ARG  30 -10.392  -1.839  -2.977
  236   2HB   ARG  30          1HB       ARG  30 -11.375  -3.139  -2.302
  237   1HG   ARG  30          2HG       ARG  30 -11.018  -2.213  -0.029
  238   2HG   ARG  30          1HG       ARG  30 -10.076  -0.895  -0.728
  239   1HD   ARG  30          2HD       ARG  30 -12.991  -1.499  -1.309
  240   2HD   ARG  30          1HD       ARG  30 -12.385  -0.163  -0.332
  241    HE   ARG  30           HE       ARG  30 -11.108   0.166  -2.769
  242   1HH1  ARG  30          1HH2      ARG  30 -14.357  -0.229  -1.684
  243   2HH1  ARG  30          2HH2      ARG  30 -15.038   0.726  -2.959
  244   1HH2  ARG  30          1HH1      ARG  30 -11.977   1.413  -4.436
  245   2HH2  ARG  30          2HH1      ARG  30 -13.689   1.656  -4.517
  246    H    GLU  31           H        GLU  31  -8.448  -3.125  -4.230
  247    HA   GLU  31           HA       GLU  31  -9.413  -5.624  -5.254
  248   1HB   GLU  31          2HB       GLU  31  -7.189  -3.774  -6.162
  249   2HB   GLU  31          1HB       GLU  31  -7.670  -5.208  -7.067
  250   1HG   GLU  31          2HG       GLU  31  -9.970  -4.332  -7.238
  251   2HG   GLU  31          1HG       GLU  31  -9.490  -2.897  -6.330
  252    H    ARG  32           H        ARG  32  -6.786  -4.843  -3.201
  253    HA   ARG  32           HA       ARG  32  -5.303  -7.316  -3.893
  254   1HB   ARG  32          2HB       ARG  32  -4.306  -4.920  -3.363
  255   2HB   ARG  32          1HB       ARG  32  -4.459  -5.471  -1.694
  256   1HG   ARG  32          2HG       ARG  32  -2.366  -6.316  -2.148
  257   2HG   ARG  32          1HG       ARG  32  -3.334  -7.669  -2.732
  258   1HD   ARG  32          2HD       ARG  32  -2.527  -5.379  -4.532
  259   2HD   ARG  32          1HD       ARG  32  -1.516  -6.810  -4.322
  260    HE   ARG  32           HE       ARG  32  -3.994  -7.858  -4.958
  261   1HH1  ARG  32          1HH2      ARG  32  -1.891  -5.475  -6.294
  262   2HH1  ARG  32          2HH2      ARG  32  -2.379  -5.770  -7.930
  263   1HH2  ARG  32          1HH1      ARG  32  -4.643  -8.257  -7.086
  264   2HH2  ARG  32          2HH1      ARG  32  -3.937  -7.346  -8.378
  265    H    GLY  33           H        GLY  33  -7.779  -6.408  -1.791
  266   1HA   GLY  33          2HA       GLY  33  -8.820  -7.929  -0.247
  267   2HA   GLY  33          1HA       GLY  33  -7.324  -8.859  -0.195
  268    H    LEU  34           H        LEU  34  -6.325  -5.754   0.085
  269    HA   LEU  34           HA       LEU  34  -6.344  -5.941   3.066
  270   1HB   LEU  34          2HB       LEU  34  -4.526  -4.229   1.354
  271   2HB   LEU  34          1HB       LEU  34  -4.325  -4.645   3.056
  272    HG   LEU  34           HG       LEU  34  -4.223  -6.587   0.731
  273   1HD1  LEU  34          1HD1      LEU  34  -2.248  -5.021   1.086
  274   2HD1  LEU  34          2HD1      LEU  34  -1.872  -6.741   1.182
  275   3HD1  LEU  34          3HD1      LEU  34  -2.029  -5.789   2.658
  276   1HD2  LEU  34          1HD2      LEU  34  -3.356  -8.089   2.674
  277   2HD2  LEU  34          2HD2      LEU  34  -5.094  -7.823   2.541
  278   3HD2  LEU  34          3HD2      LEU  34  -4.152  -6.920   3.727
  279    H    PHE  35           H        PHE  35  -7.255  -4.294   4.257
  280    HA   PHE  35           HA       PHE  35  -7.666  -1.624   3.259
  281   1HB   PHE  35          2HB       PHE  35 -10.064  -1.651   2.932
  282   2HB   PHE  35          1HB       PHE  35  -9.365  -2.903   1.905
  283    HD1  PHE  35           1HD      PHE  35 -11.476  -2.207   4.806
  284    HD2  PHE  35           2HD      PHE  35  -9.505  -5.296   2.565
  285    HE1  PHE  35           1HE      PHE  35 -12.873  -3.917   5.935
  286    HE2  PHE  35           2HE      PHE  35 -10.901  -7.006   3.694
  287    HZ   PHE  35           HZ       PHE  35 -12.585  -6.317   5.379
  Start of MODEL   13
    1   1H    LEU   1          1HT       LEU   1   1.843   0.045  10.934
    2   2H    LEU   1          2HT       LEU   1   2.791  -1.235  11.523
    3   3H    LEU   1          3HT       LEU   1   1.359  -0.798  12.324
    4    HA   LEU   1           HA       LEU   1   0.279  -2.307  11.139
    5   1HB   LEU   1          2HB       LEU   1   1.137  -0.384   8.975
    6   2HB   LEU   1          1HB       LEU   1   0.150  -1.797   8.602
    7    HG   LEU   1           HG       LEU   1  -1.509  -1.055  10.301
    8   1HD1  LEU   1          1HD1      LEU   1  -0.244   0.224  11.837
    9   2HD1  LEU   1          2HD1      LEU   1  -1.223   1.423  10.991
   10   3HD1  LEU   1          3HD1      LEU   1   0.473   1.206  10.560
   11   1HD2  LEU   1          1HD2      LEU   1  -2.484   0.663   8.946
   12   2HD2  LEU   1          2HD2      LEU   1  -1.574  -0.366   7.840
   13   3HD2  LEU   1          3HD2      LEU   1  -0.906   1.184   8.353
   14    H    SER   2           H        SER   2   0.536  -3.838   9.045
   15    HA   SER   2           HA       SER   2   2.892  -5.405   9.513
   16   1HB   SER   2          2HB       SER   2   1.314  -5.609   6.965
   17   2HB   SER   2          1HB       SER   2   2.032  -6.895   7.930
   18    HG   SER   2           HG       SER   2  -0.345  -5.458   8.307
   19    H    ASP   3           H        ASP   3   4.319  -3.345   9.190
   20    HA   ASP   3           HA       ASP   3   4.813  -2.302   6.586
   21   1HB   ASP   3          2HB       ASP   3   6.964  -1.556   7.481
   22   2HB   ASP   3          1HB       ASP   3   5.709  -1.310   8.696
   23    H    GLU   4           H        GLU   4   5.918  -5.229   8.200
   24    HA   GLU   4           HA       GLU   4   7.935  -5.911   6.243
   25   1HB   GLU   4          2HB       GLU   4   7.693  -6.882   8.597
   26   2HB   GLU   4          1HB       GLU   4   6.373  -7.859   7.955
   27   1HG   GLU   4          2HG       GLU   4   7.925  -8.758   6.222
   28   2HG   GLU   4          1HG       GLU   4   9.242  -7.853   6.973
   29    H    ASP   5           H        ASP   5   4.591  -7.070   6.768
   30    HA   ASP   5           HA       ASP   5   4.544  -8.566   4.285
   31   1HB   ASP   5          2HB       ASP   5   3.068  -8.900   6.384
   32   2HB   ASP   5          1HB       ASP   5   2.102  -7.566   5.751
   33    H    PHE   6           H        PHE   6   3.262  -5.407   5.315
   34    HA   PHE   6           HA       PHE   6   1.937  -4.692   2.925
   35   1HB   PHE   6          2HB       PHE   6   1.771  -3.358   4.979
   36   2HB   PHE   6          1HB       PHE   6   3.474  -2.918   4.847
   37    HD1  PHE   6           1HD      PHE   6   0.098  -2.387   3.505
   38    HD2  PHE   6           2HD      PHE   6   4.257  -1.401   3.076
   39    HE1  PHE   6           1HE      PHE   6  -0.504  -0.494   2.019
   40    HE2  PHE   6           2HE      PHE   6   3.655   0.491   1.590
   41    HZ   PHE   6           HZ       PHE   6   1.274   0.945   1.062
   42    H    ARG   7           H        ARG   7   5.262  -3.746   3.877
   43    HA   ARG   7           HA       ARG   7   6.035  -2.530   1.485
   44   1HB   ARG   7          2HB       ARG   7   7.424  -2.597   3.543
   45   2HB   ARG   7          1HB       ARG   7   7.771  -4.298   3.237
   46   1HG   ARG   7          2HG       ARG   7   8.841  -3.732   1.112
   47   2HG   ARG   7          1HG       ARG   7   8.424  -2.032   1.331
   48   1HD   ARG   7          2HD       ARG   7  10.704  -2.263   2.035
   49   2HD   ARG   7          1HD       ARG   7   9.743  -2.108   3.502
   50    HE   ARG   7           HE       ARG   7   9.895  -4.850   3.074
   51   1HH1  ARG   7          1HH2      ARG   7  12.109  -2.220   3.344
   52   2HH1  ARG   7          2HH2      ARG   7  13.380  -3.187   4.014
   53   1HH2  ARG   7          1HH1      ARG   7  11.540  -6.125   3.946
   54   2HH2  ARG   7          2HH1      ARG   7  13.058  -5.398   4.355
   55    H    ALA   8           H        ALA   8   5.871  -5.982   2.226
   56    HA   ALA   8           HA       ALA   8   7.205  -6.857  -0.180
   57   1HB   ALA   8          1HB       ALA   8   6.048  -9.052   0.361
   58   2HB   ALA   8          2HB       ALA   8   5.300  -8.234   1.732
   59   3HB   ALA   8          3HB       ALA   8   7.054  -8.400   1.653
   60    H    VAL   9           H        VAL   9   3.874  -6.001   0.583
   61    HA   VAL   9           HA       VAL   9   2.763  -7.207  -1.811
   62    HB   VAL   9           HB       VAL   9   1.658  -5.131   0.095
   63   1HG1  VAL   9          1HG1      VAL   9   0.492  -4.813  -1.961
   64   2HG1  VAL   9          2HG1      VAL   9  -0.544  -5.865  -0.995
   65   3HG1  VAL   9          3HG1      VAL   9   0.447  -6.546  -2.287
   66   1HG2  VAL   9          1HG2      VAL   9   0.457  -6.959   1.067
   67   2HG2  VAL   9          2HG2      VAL   9   2.121  -7.520   0.892
   68   3HG2  VAL   9          3HG2      VAL   9   0.889  -8.038  -0.260
   69   1HN   PF5  10          H         PF5  10   3.407  -3.776  -0.922
   70    HA   PF5  10           HA       PF5  10   3.070  -3.119  -3.807
   71   1HB   PF5  10          1HB       PF5  10   2.698  -0.849  -3.105
   72   2HB   PF5  10          2HB       PF5  10   3.279  -1.204  -1.471
   73    H    GLY  11           H        GLY  11   5.548  -4.169  -2.122
   74   1HA   GLY  11          2HA       GLY  11   7.870  -3.800  -2.159
   75   2HA   GLY  11          1HA       GLY  11   7.572  -3.206  -3.793
   76    H    MET  12           H        MET  12   5.927  -1.520  -1.289
   77    HA   MET  12           HA       MET  12   8.075   0.530  -1.127
   78   1HB   MET  12          2HB       MET  12   5.815   0.787  -2.803
   79   2HB   MET  12          1HB       MET  12   5.505   1.820  -1.407
   80   1HG   MET  12          2HG       MET  12   6.708   3.180  -2.956
   81   2HG   MET  12          1HG       MET  12   7.877   2.719  -1.718
   82   1HE   MET  12          1HE       MET  12   6.275   1.246  -5.030
   83   2HE   MET  12          2HE       MET  12   7.650   1.513  -6.098
   84   3HE   MET  12          3HE       MET  12   6.913   2.879  -5.264
   85    H    THR  13           H        THR  13   7.659   2.087   0.651
   86    HA   THR  13           HA       THR  13   6.433   0.723   2.945
   87    HB   THR  13           HB       THR  13   7.233   2.837   4.152
   88    HG1  THR  13           1HG      THR  13   7.265   3.987   2.054
   89   1HG2  THR  13          1HG2      THR  13   9.295   1.269   2.579
   90   2HG2  THR  13          2HG2      THR  13   8.517   0.706   4.059
   91   3HG2  THR  13          3HG2      THR  13   9.568   2.123   4.098
   92    H    ARG  14           H        ARG  14   4.750   1.707   4.255
   93    HA   ARG  14           HA       ARG  14   2.522   2.690   2.843
   94   1HB   ARG  14          2HB       ARG  14   3.297   2.989   5.753
   95   2HB   ARG  14          1HB       ARG  14   1.739   3.520   5.120
   96   1HG   ARG  14          2HG       ARG  14   2.645   0.740   4.479
   97   2HG   ARG  14          1HG       ARG  14   2.052   1.066   6.108
   98   1HD   ARG  14          2HD       ARG  14   0.541   1.694   3.550
   99   2HD   ARG  14          1HD       ARG  14   0.215   0.331   4.612
  100    HE   ARG  14           HE       ARG  14   0.083   2.552   6.283
  101   1HH1  ARG  14          1HH2      ARG  14  -1.360   1.587   3.294
  102   2HH1  ARG  14          2HH2      ARG  14  -2.854   2.410   3.602
  103   1HH2  ARG  14          1HH1      ARG  14  -1.858   3.634   6.688
  104   2HH2  ARG  14          2HH1      ARG  14  -3.135   3.564   5.520
  105    H    SER  15           H        SER  15   5.288   4.422   4.146
  106    HA   SER  15           HA       SER  15   4.126   7.055   4.054
  107   1HB   SER  15          2HB       SER  15   6.275   6.447   5.239
  108   2HB   SER  15          1HB       SER  15   7.044   6.336   3.658
  109    HG   SER  15           HG       SER  15   5.559   8.626   4.219
  110    H    ALA  16           H        ALA  16   6.094   5.208   1.723
  111    HA   ALA  16           HA       ALA  16   5.907   7.283  -0.312
  112   1HB   ALA  16          1HB       ALA  16   7.793   5.673  -0.242
  113   2HB   ALA  16          2HB       ALA  16   6.942   5.606  -1.786
  114   3HB   ALA  16          3HB       ALA  16   6.667   4.357  -0.571
  115    H    PHE  17           H        PHE  17   4.317   4.145   0.272
  116    HA   PHE  17           HA       PHE  17   2.717   4.073  -2.066
  117   1HB   PHE  17          2HB       PHE  17   2.961   2.226  -0.354
  118   2HB   PHE  17          1HB       PHE  17   1.857   3.130   0.684
  119    HD1  PHE  17           1HD      PHE  17   2.093   1.965  -2.881
  120    HD2  PHE  17           2HD      PHE  17  -0.412   2.625   0.546
  121    HE1  PHE  17           1HE      PHE  17   0.159   1.018  -4.111
  122    HE2  PHE  17           2HE      PHE  17  -2.346   1.678  -0.685
  123    HZ   PHE  17           HZ       PHE  17  -2.060   0.874  -3.014
  124    H    ALA  18           H        ALA  18   2.279   5.807   0.982
  125    HA   ALA  18           HA       ALA  18  -0.427   6.633   0.565
  126   1HB   ALA  18          1HB       ALA  18   0.247   8.566   2.091
  127   2HB   ALA  18          2HB       ALA  18   1.872   7.880   2.090
  128   3HB   ALA  18          3HB       ALA  18   0.522   6.950   2.742
  129    H    ASN  19           H        ASN  19   2.452   7.462  -1.065
  130    HA   ASN  19           HA       ASN  19   1.944  10.171  -1.788
  131   1HB   ASN  19          2HB       ASN  19   3.354   7.991  -3.357
  132   2HB   ASN  19          1HB       ASN  19   3.454   9.718  -3.702
  133   1HD2  ASN  19          1HD2      ASN  19   5.833   8.376  -3.081
  134   2HD2  ASN  19          2HD2      ASN  19   6.368   8.840  -1.539
  135    H    LEU  20           H        LEU  20   0.724   7.131  -3.118
  136    HA   LEU  20           HA       LEU  20  -0.387   8.210  -5.535
  137   1HB   LEU  20          2HB       LEU  20  -1.336   5.841  -3.894
  138   2HB   LEU  20          1HB       LEU  20  -1.743   6.159  -5.580
  139    HG   LEU  20           HG       LEU  20   1.076   5.749  -4.540
  140   1HD1  LEU  20          1HD1      LEU  20   0.053   3.630  -4.377
  141   2HD1  LEU  20          2HD1      LEU  20   0.792   3.607  -5.979
  142   3HD1  LEU  20          3HD1      LEU  20  -0.939   3.900  -5.808
  143   1HD2  LEU  20          1HD2      LEU  20   1.325   5.358  -7.136
  144   2HD2  LEU  20          2HD2      LEU  20   1.309   7.002  -6.499
  145   3HD2  LEU  20          3HD2      LEU  20  -0.149   6.324  -7.224
  146    HA   PRO  21           HA       PRO  21  -3.923  10.601  -4.424
  147   1HB   PRO  21          2HB       PRO  21  -5.436   8.574  -6.062
  148   2HB   PRO  21          1HB       PRO  21  -5.574  10.347  -6.065
  149   1HG   PRO  21          2HG       PRO  21  -4.219   9.149  -7.971
  150   2HG   PRO  21          1HG       PRO  21  -3.582  10.627  -7.225
  151   1HD   PRO  21          2HD       PRO  21  -2.676   7.797  -6.857
  152   2HD   PRO  21          1HD       PRO  21  -1.727   9.299  -6.816
  153    H    LEU  22           H        LEU  22  -5.232  10.574  -2.646
  154    HA   LEU  22           HA       LEU  22  -5.337   8.467  -0.820
  155   1HB   LEU  22          2HB       LEU  22  -5.964  10.821  -0.329
  156   2HB   LEU  22          1HB       LEU  22  -7.469  10.586  -1.216
  157    HG   LEU  22           HG       LEU  22  -8.040   8.715   0.344
  158   1HD1  LEU  22          1HD1      LEU  22  -6.061   7.908   1.255
  159   2HD1  LEU  22          2HD1      LEU  22  -6.615   8.947   2.567
  160   3HD1  LEU  22          3HD1      LEU  22  -5.375   9.521   1.454
  161   1HD2  LEU  22          1HD2      LEU  22  -7.496  11.473   1.470
  162   2HD2  LEU  22          2HD2      LEU  22  -8.391  10.242   2.361
  163   3HD2  LEU  22          3HD2      LEU  22  -9.017  10.850   0.829
  164    H    TRP  23           H        TRP  23  -7.785   9.248  -3.309
  165    HA   TRP  23           HA       TRP  23  -9.550   7.100  -2.547
  166   1HB   TRP  23          2HB       TRP  23 -10.739   7.593  -4.592
  167   2HB   TRP  23          1HB       TRP  23 -10.212   9.123  -3.889
  168    HD1  TRP  23           HD       TRP  23  -8.479  10.549  -5.201
  169    HE1  TRP  23           1HE      TRP  23  -7.414  10.347  -7.540
  170    HE3  TRP  23           3HE      TRP  23  -9.888   5.791  -6.403
  171    HZ2  TRP  23           2HZ      TRP  23  -7.190   8.421  -9.644
  172    HZ3  TRP  23           3HZ      TRP  23  -9.237   4.798  -8.577
  173    HH2  TRP  23           HH       TRP  23  -7.891   6.106 -10.198
  174    H    ARG  24           H        ARG  24  -6.985   7.365  -5.005
  175    HA   ARG  24           HA       ARG  24  -7.447   4.852  -6.263
  176   1HB   ARG  24          2HB       ARG  24  -5.947   6.618  -7.166
  177   2HB   ARG  24          1HB       ARG  24  -4.793   6.262  -5.880
  178   1HG   ARG  24          2HG       ARG  24  -4.567   3.959  -6.677
  179   2HG   ARG  24          1HG       ARG  24  -5.779   4.252  -7.925
  180   1HD   ARG  24          2HD       ARG  24  -4.132   4.948  -9.287
  181   2HD   ARG  24          1HD       ARG  24  -3.868   6.313  -8.198
  182    HE   ARG  24           HE       ARG  24  -2.465   4.285  -6.981
  183   1HH1  ARG  24          1HH2      ARG  24  -2.648   5.556 -10.179
  184   2HH1  ARG  24          2HH2      ARG  24  -0.988   5.228 -10.550
  185   1HH2  ARG  24          1HH1      ARG  24  -0.294   3.848  -7.444
  186   2HH2  ARG  24          2HH1      ARG  24   0.345   4.261  -9.001
  187    H    GLN  25           H        GLN  25  -5.368   5.674  -3.470
  188    HA   GLN  25           HA       GLN  25  -4.103   3.205  -3.116
  189   1HB   GLN  25          2HB       GLN  25  -5.181   5.068  -0.984
  190   2HB   GLN  25          1HB       GLN  25  -4.044   3.751  -0.683
  191   1HG   GLN  25          2HG       GLN  25  -2.393   4.767  -2.156
  192   2HG   GLN  25          1HG       GLN  25  -3.536   6.027  -2.627
  193   1HE2  GLN  25          1HE2      GLN  25  -2.072   7.690  -1.750
  194   2HE2  GLN  25          2HE2      GLN  25  -1.937   7.926  -0.074
  195    H    GLN  26           H        GLN  26  -7.394   4.125  -2.065
  196    HA   GLN  26           HA       GLN  26  -7.946   1.607  -0.771
  197   1HB   GLN  26          2HB       GLN  26  -9.832   3.614  -2.045
  198   2HB   GLN  26          1HB       GLN  26 -10.340   2.259  -1.036
  199   1HG   GLN  26          2HG       GLN  26  -9.051   3.148   0.850
  200   2HG   GLN  26          1HG       GLN  26  -8.472   4.478  -0.152
  201   1HE2  GLN  26          1HE2      GLN  26  -9.983   4.969   2.236
  202   2HE2  GLN  26          2HE2      GLN  26 -11.484   5.629   1.792
  203    H    ASN  27           H        ASN  27  -8.262   2.799  -4.074
  204    HA   ASN  27           HA       ASN  27  -9.745   0.615  -5.163
  205   1HB   ASN  27          2HB       ASN  27  -9.256   2.816  -6.307
  206   2HB   ASN  27          1HB       ASN  27  -7.610   2.243  -6.577
  207   1HD2  ASN  27          1HD2      ASN  27 -11.028   1.275  -7.201
  208   2HD2  ASN  27          2HD2      ASN  27 -10.688   0.468  -8.655
  209    H    LEU  28           H        LEU  28  -6.208   1.184  -5.110
  210    HA   LEU  28           HA       LEU  28  -5.559  -1.404  -6.201
  211   1HB   LEU  28          2HB       LEU  28  -3.808   0.363  -4.471
  212   2HB   LEU  28          1HB       LEU  28  -3.272  -0.878  -5.601
  213    HG   LEU  28           HG       LEU  28  -4.701   1.703  -6.301
  214   1HD1  LEU  28          1HD1      LEU  28  -1.903   0.660  -6.847
  215   2HD1  LEU  28          2HD1      LEU  28  -2.331   2.004  -5.790
  216   3HD1  LEU  28          3HD1      LEU  28  -2.572   2.142  -7.531
  217   1HD2  LEU  28          1HD2      LEU  28  -4.078   0.815  -8.681
  218   2HD2  LEU  28          2HD2      LEU  28  -5.513   0.166  -7.887
  219   3HD2  LEU  28          3HD2      LEU  28  -4.013  -0.762  -7.894
  220    H    ARG  29           H        ARG  29  -6.052  -0.213  -2.911
  221    HA   ARG  29           HA       ARG  29  -4.917  -2.574  -1.659
  222   1HB   ARG  29          2HB       ARG  29  -6.614  -0.290  -0.652
  223   2HB   ARG  29          1HB       ARG  29  -6.154  -1.641   0.387
  224   1HG   ARG  29          2HG       ARG  29  -3.777  -1.208  -0.077
  225   2HG   ARG  29          1HG       ARG  29  -4.219   0.122  -1.147
  226   1HD   ARG  29          2HD       ARG  29  -4.926  -0.014   1.798
  227   2HD   ARG  29          1HD       ARG  29  -3.569   0.896   1.137
  228    HE   ARG  29           HE       ARG  29  -5.752   1.812  -0.306
  229   1HH1  ARG  29          1HH2      ARG  29  -4.919   1.459   3.023
  230   2HH1  ARG  29          2HH2      ARG  29  -5.863   2.819   3.538
  231   1HH2  ARG  29          1HH1      ARG  29  -6.984   3.584   0.347
  232   2HH2  ARG  29          2HH1      ARG  29  -7.031   4.022   2.021
  233    H    ARG  30           H        ARG  30  -8.232  -1.572  -2.523
  234    HA   ARG  30           HA       ARG  30  -9.466  -3.838  -1.212
  235   1HB   ARG  30          2HB       ARG  30 -10.329  -1.675  -3.038
  236   2HB   ARG  30          1HB       ARG  30 -11.254  -3.172  -3.165
  237   1HG   ARG  30          2HG       ARG  30 -12.200  -1.602  -1.468
  238   2HG   ARG  30          1HG       ARG  30 -11.704  -3.142  -0.766
  239   1HD   ARG  30          2HD       ARG  30 -10.069  -2.181   0.481
  240   2HD   ARG  30          1HD       ARG  30  -9.563  -1.124  -0.835
  241    HE   ARG  30           HE       ARG  30 -11.983  -0.051  -0.028
  242   1HH1  ARG  30          1HH2      ARG  30  -9.032  -0.970   1.502
  243   2HH1  ARG  30          2HH2      ARG  30  -9.143   0.242   2.736
  244   1HH2  ARG  30          1HH1      ARG  30 -12.142   1.533   1.570
  245   2HH2  ARG  30          2HH1      ARG  30 -10.904   1.659   2.774
  246    H    GLU  31           H        GLU  31  -8.217  -3.235  -4.469
  247    HA   GLU  31           HA       GLU  31  -9.205  -5.546  -5.776
  248   1HB   GLU  31          2HB       GLU  31  -6.636  -3.980  -6.084
  249   2HB   GLU  31          1HB       GLU  31  -7.012  -5.358  -7.118
  250   1HG   GLU  31          2HG       GLU  31  -8.867  -2.991  -6.752
  251   2HG   GLU  31          1HG       GLU  31  -7.698  -3.119  -8.068
  252    H    ARG  32           H        ARG  32  -6.780  -5.185  -3.316
  253    HA   ARG  32           HA       ARG  32  -5.972  -8.036  -3.683
  254   1HB   ARG  32          2HB       ARG  32  -4.573  -5.722  -2.320
  255   2HB   ARG  32          1HB       ARG  32  -4.005  -7.390  -2.248
  256   1HG   ARG  32          2HG       ARG  32  -3.875  -7.446  -4.718
  257   2HG   ARG  32          1HG       ARG  32  -4.412  -5.766  -4.776
  258   1HD   ARG  32          2HD       ARG  32  -2.426  -5.165  -3.341
  259   2HD   ARG  32          1HD       ARG  32  -1.858  -6.823  -3.534
  260    HE   ARG  32           HE       ARG  32  -2.265  -5.970  -6.134
  261   1HH1  ARG  32          1HH2      ARG  32  -0.580  -4.794  -3.365
  262   2HH1  ARG  32          2HH2      ARG  32   0.665  -4.018  -4.287
  263   1HH2  ARG  32          1HH1      ARG  32  -0.650  -4.964  -7.354
  264   2HH2  ARG  32          2HH1      ARG  32   0.624  -4.114  -6.546
  265    H    GLY  33           H        GLY  33  -7.989  -6.138  -1.800
  266   1HA   GLY  33          2HA       GLY  33  -9.084  -6.561   0.237
  267   2HA   GLY  33          1HA       GLY  33  -8.621  -8.246  -0.001
  268    H    LEU  34           H        LEU  34  -7.082  -5.144   0.946
  269    HA   LEU  34           HA       LEU  34  -5.717  -6.663   3.128
  270   1HB   LEU  34          2HB       LEU  34  -4.508  -4.713   1.163
  271   2HB   LEU  34          1HB       LEU  34  -3.754  -5.048   2.722
  272    HG   LEU  34           HG       LEU  34  -4.551  -7.295   0.877
  273   1HD1  LEU  34          1HD1      LEU  34  -3.122  -6.033  -0.538
  274   2HD1  LEU  34          2HD1      LEU  34  -2.061  -7.226   0.208
  275   3HD1  LEU  34          3HD1      LEU  34  -2.075  -5.565   0.800
  276   1HD2  LEU  34          1HD2      LEU  34  -2.490  -8.267   2.122
  277   2HD2  LEU  34          2HD2      LEU  34  -3.986  -8.077   3.037
  278   3HD2  LEU  34          3HD2      LEU  34  -2.686  -6.900   3.218
  279    H    PHE  35           H        PHE  35  -7.769  -4.179   2.312
  280    HA   PHE  35           HA       PHE  35  -7.575  -3.029   5.005
  281   1HB   PHE  35          2HB       PHE  35  -6.995  -1.385   2.526
  282   2HB   PHE  35          1HB       PHE  35  -7.362  -0.686   4.103
  283    HD1  PHE  35           1HD      PHE  35  -4.900  -2.591   2.132
  284    HD2  PHE  35           2HD      PHE  35  -5.796  -0.874   5.967
  285    HE1  PHE  35           1HE      PHE  35  -2.532  -2.875   2.812
  286    HE2  PHE  35           2HE      PHE  35  -3.428  -1.159   6.647
  287    HZ   PHE  35           HZ       PHE  35  -1.796  -2.159   5.069
  Start of MODEL   14
    1   1H    LEU   1          1HT       LEU   1   3.283  -0.768  11.532
    2   2H    LEU   1          2HT       LEU   1   1.790   0.014  11.747
    3   3H    LEU   1          3HT       LEU   1   2.368  -0.305  10.181
    4    HA   LEU   1           HA       LEU   1   1.448  -2.282  12.191
    5   1HB   LEU   1          2HB       LEU   1   0.482  -1.785   9.366
    6   2HB   LEU   1          1HB       LEU   1  -0.300  -2.746  10.622
    7    HG   LEU   1           HG       LEU   1   0.128   0.255  10.693
    8   1HD1  LEU   1          1HD1      LEU   1  -1.653  -0.594   9.132
    9   2HD1  LEU   1          2HD1      LEU   1  -2.279   0.403  10.446
   10   3HD1  LEU   1          3HD1      LEU   1  -2.436  -1.352  10.519
   11   1HD2  LEU   1          1HD2      LEU   1  -1.473  -0.054  12.714
   12   2HD2  LEU   1          2HD2      LEU   1   0.227  -0.465  12.942
   13   3HD2  LEU   1          3HD2      LEU   1  -0.961  -1.742  12.677
   14    H    SER   2           H        SER   2   0.952  -3.841   9.561
   15    HA   SER   2           HA       SER   2   3.361  -5.424   9.704
   16   1HB   SER   2          2HB       SER   2   2.302  -6.871   8.208
   17   2HB   SER   2          1HB       SER   2   0.922  -6.079   8.960
   18    HG   SER   2           HG       SER   2   1.009  -4.572   7.181
   19    H    ASP   3           H        ASP   3   4.424  -3.021   9.238
   20    HA   ASP   3           HA       ASP   3   4.655  -2.096   6.579
   21   1HB   ASP   3          2HB       ASP   3   6.748  -2.142   8.776
   22   2HB   ASP   3          1HB       ASP   3   6.877  -1.200   7.290
   23    H    GLU   4           H        GLU   4   6.201  -4.812   8.206
   24    HA   GLU   4           HA       GLU   4   8.132  -5.371   6.139
   25   1HB   GLU   4          2HB       GLU   4   8.125  -6.290   8.524
   26   2HB   GLU   4          1HB       GLU   4   6.864  -7.403   7.991
   27   1HG   GLU   4          2HG       GLU   4   8.385  -8.211   6.188
   28   2HG   GLU   4          1HG       GLU   4   9.655  -7.166   6.828
   29    H    ASP   5           H        ASP   5   4.955  -6.835   6.897
   30    HA   ASP   5           HA       ASP   5   4.878  -8.452   4.519
   31   1HB   ASP   5          2HB       ASP   5   3.458  -8.700   6.650
   32   2HB   ASP   5          1HB       ASP   5   2.452  -7.410   5.990
   33    H    PHE   6           H        PHE   6   3.575  -5.242   5.316
   34    HA   PHE   6           HA       PHE   6   2.132  -4.746   2.942
   35   1HB   PHE   6          2HB       PHE   6   2.083  -3.229   4.878
   36   2HB   PHE   6          1HB       PHE   6   3.769  -2.797   4.594
   37    HD1  PHE   6           1HD      PHE   6   0.310  -2.454   3.381
   38    HD2  PHE   6           2HD      PHE   6   4.420  -1.409   2.688
   39    HE1  PHE   6           1HE      PHE   6  -0.405  -0.715   1.764
   40    HE2  PHE   6           2HE      PHE   6   3.703   0.331   1.072
   41    HZ   PHE   6           HZ       PHE   6   1.292   0.677   0.610
   42    H    ARG   7           H        ARG   7   5.493  -3.694   3.619
   43    HA   ARG   7           HA       ARG   7   6.128  -2.711   1.086
   44   1HB   ARG   7          2HB       ARG   7   7.630  -2.580   3.056
   45   2HB   ARG   7          1HB       ARG   7   7.968  -4.304   2.901
   46   1HG   ARG   7          2HG       ARG   7   8.934  -3.959   0.690
   47   2HG   ARG   7          1HG       ARG   7   8.496  -2.251   0.734
   48   1HD   ARG   7          2HD       ARG   7  10.815  -2.379   1.342
   49   2HD   ARG   7          1HD       ARG   7   9.921  -2.050   2.824
   50    HE   ARG   7           HE       ARG   7  10.091  -4.823   2.730
   51   1HH1  ARG   7          1HH2      ARG   7  12.277  -2.162   2.570
   52   2HH1  ARG   7          2HH2      ARG   7  13.591  -3.028   3.294
   53   1HH2  ARG   7          1HH1      ARG   7  11.791  -5.967   3.675
   54   2HH2  ARG   7          2HH1      ARG   7  13.316  -5.183   3.920
   55    H    ALA   8           H        ALA   8   6.016  -6.080   2.147
   56    HA   ALA   8           HA       ALA   8   7.240  -7.182  -0.219
   57   1HB   ALA   8          1HB       ALA   8   6.472  -9.309   0.594
   58   2HB   ALA   8          2HB       ALA   8   5.230  -8.549   1.591
   59   3HB   ALA   8          3HB       ALA   8   6.934  -8.360   2.007
   60    H    VAL   9           H        VAL   9   3.973  -6.154   0.553
   61    HA   VAL   9           HA       VAL   9   2.771  -7.584  -1.689
   62    HB   VAL   9           HB       VAL   9   1.714  -5.407   0.128
   63   1HG1  VAL   9          1HG1      VAL   9   0.468  -5.210  -1.893
   64   2HG1  VAL   9          2HG1      VAL   9  -0.521  -6.221  -0.840
   65   3HG1  VAL   9          3HG1      VAL   9   0.433  -6.957  -2.129
   66   1HG2  VAL   9          1HG2      VAL   9   1.100  -8.375  -0.044
   67   2HG2  VAL   9          2HG2      VAL   9   0.465  -7.242   1.149
   68   3HG2  VAL   9          3HG2      VAL   9   2.181  -7.648   1.145
   69   1HN   PF5  10          H         PF5  10   3.480  -4.114  -1.058
   70    HA   PF5  10           HA       PF5  10   2.934  -3.618  -3.942
   71   1HB   PF5  10          1HB       PF5  10   2.713  -1.284  -3.337
   72   2HB   PF5  10          2HB       PF5  10   3.354  -1.603  -1.719
   73    H    GLY  11           H        GLY  11   5.551  -4.117  -1.863
   74   1HA   GLY  11          2HA       GLY  11   7.855  -4.049  -2.363
   75   2HA   GLY  11          1HA       GLY  11   7.439  -3.452  -3.970
   76    H    MET  12           H        MET  12   6.158  -1.795  -1.196
   77    HA   MET  12           HA       MET  12   8.326   0.193  -1.168
   78   1HB   MET  12          2HB       MET  12   7.018   0.956  -3.088
   79   2HB   MET  12          1HB       MET  12   5.537   0.891  -2.132
   80   1HG   MET  12          2HG       MET  12   6.275   2.666  -0.701
   81   2HG   MET  12          1HG       MET  12   7.910   2.599  -1.357
   82   1HE   MET  12          1HE       MET  12   4.584   2.353  -3.699
   83   2HE   MET  12          2HE       MET  12   4.085   4.016  -3.401
   84   3HE   MET  12          3HE       MET  12   4.284   2.907  -2.047
   85    H    THR  13           H        THR  13   7.985   1.795   0.571
   86    HA   THR  13           HA       THR  13   6.722   0.570   2.891
   87    HB   THR  13           HB       THR  13   7.387   2.856   3.931
   88    HG1  THR  13           1HG      THR  13   9.175   3.122   1.856
   89   1HG2  THR  13          1HG2      THR  13   9.729   2.152   4.079
   90   2HG2  THR  13          2HG2      THR  13   9.515   1.095   2.683
   91   3HG2  THR  13          3HG2      THR  13   8.668   0.749   4.191
   92    H    ARG  14           H        ARG  14   4.947   1.475   4.096
   93    HA   ARG  14           HA       ARG  14   2.764   2.423   2.532
   94   1HB   ARG  14          2HB       ARG  14   3.210   2.646   5.524
   95   2HB   ARG  14          1HB       ARG  14   1.665   2.884   4.707
   96   1HG   ARG  14          2HG       ARG  14   1.888   0.547   3.778
   97   2HG   ARG  14          1HG       ARG  14   3.298   0.332   4.816
   98   1HD   ARG  14          2HD       ARG  14   0.489   0.991   5.761
   99   2HD   ARG  14          1HD       ARG  14   1.299  -0.560   5.929
  100    HE   ARG  14           HE       ARG  14   3.030   1.230   7.151
  101   1HH1  ARG  14          1HH2      ARG  14  -0.337   0.491   7.393
  102   2HH1  ARG  14          2HH2      ARG  14  -0.426   0.853   9.085
  103   1HH2  ARG  14          1HH1      ARG  14   2.922   1.712   9.355
  104   2HH2  ARG  14          2HH1      ARG  14   1.416   1.542  10.192
  105    H    SER  15           H        SER  15   5.345   4.126   4.194
  106    HA   SER  15           HA       SER  15   4.134   6.689   4.423
  107   1HB   SER  15          2HB       SER  15   6.383   7.576   4.551
  108   2HB   SER  15          1HB       SER  15   6.370   6.022   5.380
  109    HG   SER  15           HG       SER  15   6.877   5.402   2.941
  110    H    ALA  16           H        ALA  16   6.094   5.327   1.761
  111    HA   ALA  16           HA       ALA  16   5.630   7.629   0.047
  112   1HB   ALA  16          1HB       ALA  16   7.626   6.341  -0.338
  113   2HB   ALA  16          2HB       ALA  16   6.576   6.081  -1.731
  114   3HB   ALA  16          3HB       ALA  16   6.702   4.846  -0.479
  115    H    PHE  17           H        PHE  17   4.061   4.540   0.613
  116    HA   PHE  17           HA       PHE  17   2.483   4.363  -1.739
  117   1HB   PHE  17          2HB       PHE  17   2.706   2.673   0.201
  118   2HB   PHE  17          1HB       PHE  17   1.451   3.619   1.000
  119    HD1  PHE  17           1HD      PHE  17   2.232   1.791  -2.163
  120    HD2  PHE  17           2HD      PHE  17  -0.825   3.337   0.429
  121    HE1  PHE  17           1HE      PHE  17   0.501   0.642  -3.518
  122    HE2  PHE  17           2HE      PHE  17  -2.554   2.188  -0.926
  123    HZ   PHE  17           HZ       PHE  17  -1.892   0.840  -2.899
  124    H    ALA  18           H        ALA  18   2.024   6.240   1.229
  125    HA   ALA  18           HA       ALA  18  -0.641   7.122   0.717
  126   1HB   ALA  18          1HB       ALA  18   1.663   8.400   2.212
  127   2HB   ALA  18          2HB       ALA  18   0.298   7.516   2.893
  128   3HB   ALA  18          3HB       ALA  18   0.047   9.103   2.164
  129    H    ASN  19           H        ASN  19   2.294   7.808  -0.889
  130    HA   ASN  19           HA       ASN  19   1.816  10.485  -1.771
  131   1HB   ASN  19          2HB       ASN  19   3.288   8.254  -3.207
  132   2HB   ASN  19          1HB       ASN  19   3.445   9.980  -3.538
  133   1HD2  ASN  19          1HD2      ASN  19   2.985   9.717  -0.240
  134   2HD2  ASN  19          2HD2      ASN  19   4.607   9.687   0.260
  135    H    LEU  20           H        LEU  20   0.678   7.364  -2.977
  136    HA   LEU  20           HA       LEU  20  -0.350   8.331  -5.489
  137   1HB   LEU  20          2HB       LEU  20  -1.393   5.994  -3.866
  138   2HB   LEU  20          1HB       LEU  20  -1.526   6.225  -5.610
  139    HG   LEU  20           HG       LEU  20   1.083   5.909  -4.095
  140   1HD1  LEU  20          1HD1      LEU  20   1.091   3.730  -5.489
  141   2HD1  LEU  20          2HD1      LEU  20  -0.642   3.996  -5.671
  142   3HD1  LEU  20          3HD1      LEU  20   0.054   3.780  -4.064
  143   1HD2  LEU  20          1HD2      LEU  20   0.347   6.340  -6.987
  144   2HD2  LEU  20          2HD2      LEU  20   1.836   5.497  -6.561
  145   3HD2  LEU  20          3HD2      LEU  20   1.580   7.159  -6.029
  146    HA   PRO  21           HA       PRO  21  -4.009  10.617  -4.559
  147   1HB   PRO  21          2HB       PRO  21  -5.379   8.527  -6.242
  148   2HB   PRO  21          1HB       PRO  21  -5.567  10.294  -6.276
  149   1HG   PRO  21          2HG       PRO  21  -4.090   9.112  -8.099
  150   2HG   PRO  21          1HG       PRO  21  -3.531  10.618  -7.345
  151   1HD   PRO  21          2HD       PRO  21  -2.564   7.821  -6.890
  152   2HD   PRO  21          1HD       PRO  21  -1.659   9.348  -6.835
  153    H    LEU  22           H        LEU  22  -5.355  10.559  -2.817
  154    HA   LEU  22           HA       LEU  22  -5.497   8.480  -0.980
  155   1HB   LEU  22          2HB       LEU  22  -6.384  10.965  -0.915
  156   2HB   LEU  22          1HB       LEU  22  -7.916  10.210  -1.352
  157    HG   LEU  22           HG       LEU  22  -6.201   9.412   1.019
  158   1HD1  LEU  22          1HD1      LEU  22  -8.862  10.863   0.959
  159   2HD1  LEU  22          2HD1      LEU  22  -7.310  11.659   1.212
  160   3HD1  LEU  22          3HD1      LEU  22  -7.899  10.482   2.386
  161   1HD2  LEU  22          1HD2      LEU  22  -7.406   7.489   0.426
  162   2HD2  LEU  22          2HD2      LEU  22  -8.783   8.418  -0.164
  163   3HD2  LEU  22          3HD2      LEU  22  -8.497   8.272   1.570
  164    H    TRP  23           H        TRP  23  -8.053   9.206  -3.398
  165    HA   TRP  23           HA       TRP  23  -9.666   6.953  -2.763
  166   1HB   TRP  23          2HB       TRP  23 -10.788   7.359  -4.865
  167   2HB   TRP  23          1HB       TRP  23 -10.356   8.922  -4.170
  168    HD1  TRP  23           HD       TRP  23  -8.608  10.390  -5.423
  169    HE1  TRP  23           1HE      TRP  23  -7.444  10.196  -7.717
  170    HE3  TRP  23           3HE      TRP  23  -9.816   5.575  -6.620
  171    HZ2  TRP  23           2HZ      TRP  23  -7.076   8.254  -9.784
  172    HZ3  TRP  23           3HZ      TRP  23  -9.047   4.580  -8.755
  173    HH2  TRP  23           HH       TRP  23  -7.680   5.911 -10.337
  174    H    ARG  24           H        ARG  24  -7.039   7.295  -5.151
  175    HA   ARG  24           HA       ARG  24  -7.337   4.740  -6.364
  176   1HB   ARG  24          2HB       ARG  24  -5.892   6.550  -7.261
  177   2HB   ARG  24          1HB       ARG  24  -4.769   6.288  -5.927
  178   1HG   ARG  24          2HG       ARG  24  -4.387   3.986  -6.652
  179   2HG   ARG  24          1HG       ARG  24  -5.576   4.172  -7.942
  180   1HD   ARG  24          2HD       ARG  24  -3.946   4.945  -9.282
  181   2HD   ARG  24          1HD       ARG  24  -3.759   6.330  -8.203
  182    HE   ARG  24           HE       ARG  24  -2.301   4.365  -6.941
  183   1HH1  ARG  24          1HH2      ARG  24  -2.465   5.625 -10.144
  184   2HH1  ARG  24          2HH2      ARG  24  -0.785   5.368 -10.475
  185   1HH2  ARG  24          1HH1      ARG  24  -0.104   4.022  -7.353
  186   2HH2  ARG  24          2HH1      ARG  24   0.552   4.461  -8.895
  187    H    GLN  25           H        GLN  25  -5.375   5.708  -3.532
  188    HA   GLN  25           HA       GLN  25  -4.019   3.302  -3.090
  189   1HB   GLN  25          2HB       GLN  25  -5.223   5.186  -1.048
  190   2HB   GLN  25          1HB       GLN  25  -4.080   3.899  -0.658
  191   1HG   GLN  25          2HG       GLN  25  -2.390   4.898  -2.113
  192   2HG   GLN  25          1HG       GLN  25  -3.533   6.138  -2.633
  193   1HE2  GLN  25          1HE2      GLN  25  -2.353   7.931  -1.734
  194   2HE2  GLN  25          2HE2      GLN  25  -2.168   8.149  -0.062
  195    H    GLN  26           H        GLN  26  -7.371   4.108  -2.133
  196    HA   GLN  26           HA       GLN  26  -7.852   1.579  -0.827
  197   1HB   GLN  26          2HB       GLN  26  -9.784   3.510  -2.146
  198   2HB   GLN  26          1HB       GLN  26 -10.264   2.141  -1.145
  199   1HG   GLN  26          2HG       GLN  26  -9.034   3.080   0.764
  200   2HG   GLN  26          1HG       GLN  26  -8.506   4.437  -0.233
  201   1HE2  GLN  26          1HE2      GLN  26 -10.002   4.996   2.079
  202   2HE2  GLN  26          2HE2      GLN  26 -11.554   5.525   1.639
  203    H    ASN  27           H        ASN  27  -8.187   2.747  -4.140
  204    HA   ASN  27           HA       ASN  27  -9.535   0.503  -5.255
  205   1HB   ASN  27          2HB       ASN  27  -9.041   2.737  -6.378
  206   2HB   ASN  27          1HB       ASN  27  -7.403   2.144  -6.650
  207   1HD2  ASN  27          1HD2      ASN  27  -7.156   1.200  -8.674
  208   2HD2  ASN  27          2HD2      ASN  27  -8.377   0.391  -9.532
  209    H    LEU  28           H        LEU  28  -6.022   1.191  -5.104
  210    HA   LEU  28           HA       LEU  28  -5.264  -1.410  -6.102
  211   1HB   LEU  28          2HB       LEU  28  -3.602   0.464  -4.398
  212   2HB   LEU  28          1HB       LEU  28  -3.011  -0.783  -5.494
  213    HG   LEU  28           HG       LEU  28  -4.508   1.738  -6.265
  214   1HD1  LEU  28          1HD1      LEU  28  -2.185   2.189  -5.789
  215   2HD1  LEU  28          2HD1      LEU  28  -2.356   2.129  -7.544
  216   3HD1  LEU  28          3HD1      LEU  28  -1.670   0.754  -6.677
  217   1HD2  LEU  28          1HD2      LEU  28  -3.733  -0.737  -7.805
  218   2HD2  LEU  28          2HD2      LEU  28  -3.855   0.821  -8.621
  219   3HD2  LEU  28          3HD2      LEU  28  -5.266   0.134  -7.816
  220    H    ARG  29           H        ARG  29  -5.838  -0.106  -2.865
  221    HA   ARG  29           HA       ARG  29  -4.745  -2.496  -1.572
  222   1HB   ARG  29          2HB       ARG  29  -6.208  -0.064  -0.534
  223   2HB   ARG  29          1HB       ARG  29  -5.720  -1.401   0.508
  224   1HG   ARG  29          2HG       ARG  29  -3.368  -1.109  -0.283
  225   2HG   ARG  29          1HG       ARG  29  -3.888   0.300  -1.207
  226   1HD   ARG  29          2HD       ARG  29  -4.171  -0.010   1.796
  227   2HD   ARG  29          1HD       ARG  29  -2.931   0.945   0.988
  228    HE   ARG  29           HE       ARG  29  -5.309   1.939  -0.034
  229   1HH1  ARG  29          1HH2      ARG  29  -3.965   1.382   3.096
  230   2HH1  ARG  29          2HH2      ARG  29  -4.808   2.702   3.835
  231   1HH2  ARG  29          1HH1      ARG  29  -6.413   3.660   0.913
  232   2HH2  ARG  29          2HH1      ARG  29  -6.195   3.992   2.599
  233    H    ARG  30           H        ARG  30  -8.042  -1.117  -1.978
  234    HA   ARG  30           HA       ARG  30  -9.393  -3.245  -0.653
  235   1HB   ARG  30          2HB       ARG  30 -10.435  -1.065  -1.379
  236   2HB   ARG  30          1HB       ARG  30 -10.450  -1.688  -3.031
  237   1HG   ARG  30          2HG       ARG  30 -11.838  -3.585  -2.326
  238   2HG   ARG  30          1HG       ARG  30 -11.786  -3.020  -0.656
  239   1HD   ARG  30          2HD       ARG  30 -12.996  -1.532  -3.003
  240   2HD   ARG  30          1HD       ARG  30 -13.885  -2.315  -1.699
  241    HE   ARG  30           HE       ARG  30 -12.700   0.301  -1.566
  242   1HH1  ARG  30          1HH2      ARG  30 -13.215  -2.618   0.196
  243   2HH1  ARG  30          2HH2      ARG  30 -13.184  -1.844   1.745
  244   1HH2  ARG  30          1HH1      ARG  30 -12.658   1.327   0.442
  245   2HH2  ARG  30          2HH1      ARG  30 -12.869   0.391   1.884
  246    H    GLU  31           H        GLU  31  -8.480  -2.854  -4.078
  247    HA   GLU  31           HA       GLU  31  -9.604  -5.296  -5.030
  248   1HB   GLU  31          2HB       GLU  31  -8.524  -3.357  -6.368
  249   2HB   GLU  31          1HB       GLU  31  -6.989  -4.157  -6.034
  250   1HG   GLU  31          2HG       GLU  31  -9.326  -5.650  -7.228
  251   2HG   GLU  31          1HG       GLU  31  -8.171  -4.776  -8.235
  252    H    ARG  32           H        ARG  32  -6.832  -4.638  -3.057
  253    HA   ARG  32           HA       ARG  32  -5.498  -7.177  -3.605
  254   1HB   ARG  32          2HB       ARG  32  -4.409  -4.975  -2.827
  255   2HB   ARG  32          1HB       ARG  32  -4.995  -5.404  -1.220
  256   1HG   ARG  32          2HG       ARG  32  -2.915  -6.419  -1.164
  257   2HG   ARG  32          1HG       ARG  32  -3.880  -7.743  -1.818
  258   1HD   ARG  32          2HD       ARG  32  -3.301  -6.838  -4.136
  259   2HD   ARG  32          1HD       ARG  32  -2.111  -5.815  -3.333
  260    HE   ARG  32           HE       ARG  32  -1.556  -8.366  -2.389
  261   1HH1  ARG  32          1HH2      ARG  32  -1.929  -6.851  -5.463
  262   2HH1  ARG  32          2HH2      ARG  32  -0.798  -7.891  -6.262
  263   1HH2  ARG  32          1HH1      ARG  32  -0.077  -9.732  -3.414
  264   2HH2  ARG  32          2HH1      ARG  32   0.251  -9.522  -5.101
  265    H    GLY  33           H        GLY  33  -7.986  -6.092  -1.423
  266   1HA   GLY  33          2HA       GLY  33  -9.376  -7.658  -0.212
  267   2HA   GLY  33          1HA       GLY  33  -8.059  -8.830  -0.274
  268    H    LEU  34           H        LEU  34  -6.518  -6.076   0.521
  269    HA   LEU  34           HA       LEU  34  -6.498  -6.798   3.384
  270   1HB   LEU  34          2HB       LEU  34  -4.903  -4.666   1.933
  271   2HB   LEU  34          1HB       LEU  34  -4.588  -5.299   3.548
  272    HG   LEU  34           HG       LEU  34  -4.518  -6.930   0.992
  273   1HD1  LEU  34          1HD1      LEU  34  -2.142  -6.876   1.165
  274   2HD1  LEU  34          2HD1      LEU  34  -2.201  -6.182   2.785
  275   3HD1  LEU  34          3HD1      LEU  34  -2.659  -5.204   1.391
  276   1HD2  LEU  34          1HD2      LEU  34  -5.065  -8.457   2.680
  277   2HD2  LEU  34          2HD2      LEU  34  -4.183  -7.559   3.915
  278   3HD2  LEU  34          3HD2      LEU  34  -3.303  -8.503   2.712
  279    H    PHE  35           H        PHE  35  -8.265  -4.736   1.429
  280    HA   PHE  35           HA       PHE  35  -9.305  -3.302   3.764
  281   1HB   PHE  35          2HB       PHE  35  -7.736  -1.914   1.589
  282   2HB   PHE  35          1HB       PHE  35  -8.939  -1.057   2.552
  283    HD1  PHE  35           1HD      PHE  35  -5.623  -2.596   2.530
  284    HD2  PHE  35           2HD      PHE  35  -8.657  -0.841   5.012
  285    HE1  PHE  35           1HE      PHE  35  -3.974  -2.340   4.364
  286    HE2  PHE  35           2HE      PHE  35  -7.008  -0.584   6.847
  287    HZ   PHE  35           HZ       PHE  35  -4.666  -1.334   6.523
  Start of MODEL   15
    1   1H    LEU   1          1HT       LEU   1   2.775  -1.429  10.715
    2   2H    LEU   1          2HT       LEU   1   1.664  -0.583  11.684
    3   3H    LEU   1          3HT       LEU   1   1.792  -0.231  10.026
    4    HA   LEU   1           HA       LEU   1   0.652  -2.642  11.305
    5   1HB   LEU   1          2HB       LEU   1  -0.805  -0.653  10.908
    6   2HB   LEU   1          1HB       LEU   1  -0.403  -0.738   9.193
    7    HG   LEU   1           HG       LEU   1  -1.285  -3.089   9.164
    8   1HD1  LEU   1          1HD1      LEU   1  -1.783  -2.364  12.031
    9   2HD1  LEU   1          2HD1      LEU   1  -1.228  -3.891  11.345
   10   3HD1  LEU   1          3HD1      LEU   1  -2.925  -3.431  11.214
   11   1HD2  LEU   1          1HD2      LEU   1  -3.193  -0.916  10.090
   12   2HD2  LEU   1          2HD2      LEU   1  -3.677  -2.409   9.285
   13   3HD2  LEU   1          3HD2      LEU   1  -2.697  -1.221   8.426
   14    H    SER   2           H        SER   2   1.457  -4.473  10.394
   15    HA   SER   2           HA       SER   2   2.387  -5.906   8.772
   16   1HB   SER   2          2HB       SER   2   0.178  -4.443   7.329
   17   2HB   SER   2          1HB       SER   2   1.131  -5.683   6.519
   18    HG   SER   2           HG       SER   2  -0.936  -6.133   7.927
   19    H    ASP   3           H        ASP   3   3.728  -3.296   9.130
   20    HA   ASP   3           HA       ASP   3   4.433  -2.069   6.679
   21   1HB   ASP   3          2HB       ASP   3   6.158  -2.532   9.134
   22   2HB   ASP   3          1HB       ASP   3   6.530  -1.399   7.834
   23    H    GLU   4           H        GLU   4   5.509  -5.079   8.145
   24    HA   GLU   4           HA       GLU   4   7.680  -5.495   6.241
   25   1HB   GLU   4          2HB       GLU   4   7.507  -6.535   8.570
   26   2HB   GLU   4          1HB       GLU   4   6.283  -7.610   7.894
   27   1HG   GLU   4          2HG       GLU   4   7.922  -8.333   6.160
   28   2HG   GLU   4          1HG       GLU   4   9.147  -7.330   6.938
   29    H    ASP   5           H        ASP   5   4.518  -7.102   6.735
   30    HA   ASP   5           HA       ASP   5   4.572  -8.504   4.235
   31   1HB   ASP   5          2HB       ASP   5   3.069  -9.122   6.109
   32   2HB   ASP   5          1HB       ASP   5   2.175  -7.619   5.874
   33    H    PHE   6           H        PHE   6   3.269  -5.349   5.200
   34    HA   PHE   6           HA       PHE   6   1.908  -4.694   2.802
   35   1HB   PHE   6          2HB       PHE   6   1.745  -3.325   4.836
   36   2HB   PHE   6          1HB       PHE   6   3.443  -2.872   4.682
   37    HD1  PHE   6           1HD      PHE   6   0.048  -2.275   3.508
   38    HD2  PHE   6           2HD      PHE   6   4.202  -1.506   2.724
   39    HE1  PHE   6           1HE      PHE   6  -0.581  -0.418   1.991
   40    HE2  PHE   6           2HE      PHE   6   3.571   0.352   1.206
   41    HZ   PHE   6           HZ       PHE   6   1.178   0.896   0.840
   42    H    ARG   7           H        ARG   7   5.221  -3.678   3.725
   43    HA   ARG   7           HA       ARG   7   5.969  -2.522   1.293
   44   1HB   ARG   7          2HB       ARG   7   7.328  -2.558   3.415
   45   2HB   ARG   7          1HB       ARG   7   7.794  -4.214   3.026
   46   1HG   ARG   7          2HG       ARG   7   8.741  -3.435   0.877
   47   2HG   ARG   7          1HG       ARG   7   8.298  -1.779   1.289
   48   1HD   ARG   7          2HD       ARG   7   9.683  -2.667   3.532
   49   2HD   ARG   7          1HD       ARG   7  10.581  -3.364   2.187
   50    HE   ARG   7           HE       ARG   7  10.747  -0.662   2.929
   51   1HH1  ARG   7          1HH2      ARG   7   9.921  -2.543   0.161
   52   2HH1  ARG   7          2HH2      ARG   7  10.466  -1.352  -0.973
   53   1HH2  ARG   7          1HH1      ARG   7  11.461   0.901   1.467
   54   2HH2  ARG   7          2HH1      ARG   7  11.339   0.598  -0.234
   55    H    ALA   8           H        ALA   8   5.930  -5.954   2.165
   56    HA   ALA   8           HA       ALA   8   7.285  -6.903  -0.180
   57   1HB   ALA   8          1HB       ALA   8   5.183  -8.334   1.471
   58   2HB   ALA   8          2HB       ALA   8   6.894  -8.255   1.891
   59   3HB   ALA   8          3HB       ALA   8   6.382  -9.086   0.421
   60    H    VAL   9           H        VAL   9   3.935  -6.006   0.436
   61    HA   VAL   9           HA       VAL   9   2.858  -7.293  -1.913
   62    HB   VAL   9           HB       VAL   9   1.807  -5.026  -0.203
   63   1HG1  VAL   9          1HG1      VAL   9  -0.394  -5.693  -1.325
   64   2HG1  VAL   9          2HG1      VAL   9   0.587  -6.540  -2.522
   65   3HG1  VAL   9          3HG1      VAL   9   0.742  -4.793  -2.329
   66   1HG2  VAL   9          1HG2      VAL   9   0.492  -6.705   0.862
   67   2HG2  VAL   9          2HG2      VAL   9   2.108  -7.398   0.745
   68   3HG2  VAL   9          3HG2      VAL   9   0.853  -7.891  -0.391
   69   1HN   PF5  10          H         PF5  10   3.773  -3.875  -1.274
   70    HA   PF5  10           HA       PF5  10   3.515  -3.414  -4.209
   71   1HB   PF5  10          1HB       PF5  10   3.271  -1.081  -3.695
   72   2HB   PF5  10          2HB       PF5  10   3.807  -1.334  -2.029
   73    H    GLY  11           H        GLY  11   5.854  -3.744  -1.714
   74   1HA   GLY  11          2HA       GLY  11   8.205  -3.892  -2.048
   75   2HA   GLY  11          1HA       GLY  11   7.986  -3.242  -3.673
   76    H    MET  12           H        MET  12   6.418  -1.525  -1.130
   77    HA   MET  12           HA       MET  12   8.688   0.337  -0.780
   78   1HB   MET  12          2HB       MET  12   7.499   2.271  -1.569
   79   2HB   MET  12          1HB       MET  12   7.382   1.053  -2.840
   80   1HG   MET  12          2HG       MET  12   5.186   0.411  -1.397
   81   2HG   MET  12          1HG       MET  12   5.267   2.141  -1.061
   82   1HE   MET  12          1HE       MET  12   5.128   3.981  -2.655
   83   2HE   MET  12          2HE       MET  12   5.069   3.870  -4.412
   84   3HE   MET  12          3HE       MET  12   6.545   3.427  -3.559
   85    H    THR  13           H        THR  13   8.262   1.890   0.976
   86    HA   THR  13           HA       THR  13   6.774   0.665   3.146
   87    HB   THR  13           HB       THR  13   7.357   2.933   4.273
   88    HG1  THR  13           1HG      THR  13   7.721   3.831   2.070
   89   1HG2  THR  13          1HG2      THR  13   9.674   2.212   4.614
   90   2HG2  THR  13          2HG2      THR  13   9.577   1.177   3.190
   91   3HG2  THR  13          3HG2      THR  13   8.600   0.814   4.613
   92    H    ARG  14           H        ARG  14   4.939   1.626   4.249
   93    HA   ARG  14           HA       ARG  14   2.827   2.475   2.584
   94   1HB   ARG  14          2HB       ARG  14   3.229   3.013   5.542
   95   2HB   ARG  14          1HB       ARG  14   1.702   3.203   4.679
   96   1HG   ARG  14          2HG       ARG  14   1.981   0.754   3.963
   97   2HG   ARG  14          1HG       ARG  14   3.248   0.654   5.186
   98   1HD   ARG  14          2HD       ARG  14   1.215  -0.057   6.263
   99   2HD   ARG  14          1HD       ARG  14   1.560   1.561   6.857
  100    HE   ARG  14           HE       ARG  14  -0.076   1.961   4.635
  101   1HH1  ARG  14          1HH2      ARG  14  -0.215   0.121   7.557
  102   2HH1  ARG  14          2HH2      ARG  14  -1.935   0.256   7.712
  103   1HH2  ARG  14          1HH1      ARG  14  -2.321   2.137   4.827
  104   2HH2  ARG  14          2HH1      ARG  14  -3.124   1.397   6.171
  105    H    SER  15           H        SER  15   5.383   4.344   4.107
  106    HA   SER  15           HA       SER  15   4.177   6.926   3.947
  107   1HB   SER  15          2HB       SER  15   7.113   6.258   3.583
  108   2HB   SER  15          1HB       SER  15   6.441   7.815   4.060
  109    HG   SER  15           HG       SER  15   5.717   5.574   5.552
  110    H    ALA  16           H        ALA  16   6.140   5.104   1.598
  111    HA   ALA  16           HA       ALA  16   5.970   7.182  -0.428
  112   1HB   ALA  16          1HB       ALA  16   6.893   5.433  -1.931
  113   2HB   ALA  16          2HB       ALA  16   6.679   4.240  -0.651
  114   3HB   ALA  16          3HB       ALA  16   7.820   5.568  -0.437
  115    H    PHE  17           H        PHE  17   4.287   4.100   0.178
  116    HA   PHE  17           HA       PHE  17   2.657   4.099  -2.150
  117   1HB   PHE  17          2HB       PHE  17   2.915   2.236  -0.415
  118   2HB   PHE  17          1HB       PHE  17   1.756   3.127   0.571
  119    HD1  PHE  17           1HD      PHE  17   2.212   1.734  -2.876
  120    HD2  PHE  17           2HD      PHE  17  -0.546   2.829   0.229
  121    HE1  PHE  17           1HE      PHE  17   0.346   0.765  -4.192
  122    HE2  PHE  17           2HE      PHE  17  -2.412   1.862  -1.088
  123    HZ   PHE  17           HZ       PHE  17  -1.966   0.830  -3.297
  124    H    ALA  18           H        ALA  18   2.259   5.719   0.975
  125    HA   ALA  18           HA       ALA  18  -0.408   6.626   0.656
  126   1HB   ALA  18          1HB       ALA  18   1.903   8.102   1.958
  127   2HB   ALA  18          2HB       ALA  18   0.915   6.874   2.750
  128   3HB   ALA  18          3HB       ALA  18   0.188   8.399   2.244
  129    H    ASN  19           H        ASN  19   2.431   7.449  -1.076
  130    HA   ASN  19           HA       ASN  19   1.887  10.136  -1.831
  131   1HB   ASN  19          2HB       ASN  19   3.999   8.774  -2.285
  132   2HB   ASN  19          1HB       ASN  19   3.128   8.054  -3.640
  133   1HD2  ASN  19          1HD2      ASN  19   4.882   9.192  -4.970
  134   2HD2  ASN  19          2HD2      ASN  19   4.639  10.821  -5.375
  135    H    LEU  20           H        LEU  20   0.567   7.088  -3.020
  136    HA   LEU  20           HA       LEU  20  -0.651   8.173  -5.405
  137   1HB   LEU  20          2HB       LEU  20  -1.471   5.751  -3.771
  138   2HB   LEU  20          1HB       LEU  20  -1.936   6.085  -5.440
  139    HG   LEU  20           HG       LEU  20   0.918   5.716  -4.480
  140   1HD1  LEU  20          1HD1      LEU  20   0.658   3.608  -5.956
  141   2HD1  LEU  20          2HD1      LEU  20  -1.079   3.862  -5.778
  142   3HD1  LEU  20          3HD1      LEU  20  -0.078   3.575  -4.354
  143   1HD2  LEU  20          1HD2      LEU  20   1.084   7.029  -6.406
  144   2HD2  LEU  20          2HD2      LEU  20  -0.377   6.346  -7.118
  145   3HD2  LEU  20          3HD2      LEU  20   1.114   5.404  -7.091
  146    HA   PRO  21           HA       PRO  21  -4.185  10.446  -4.059
  147   1HB   PRO  21          2HB       PRO  21  -5.722   8.432  -5.690
  148   2HB   PRO  21          1HB       PRO  21  -5.900  10.200  -5.635
  149   1HG   PRO  21          2HG       PRO  21  -4.606   9.089  -7.633
  150   2HG   PRO  21          1HG       PRO  21  -3.967  10.559  -6.871
  151   1HD   PRO  21          2HD       PRO  21  -2.986   7.741  -6.626
  152   2HD   PRO  21          1HD       PRO  21  -2.067   9.262  -6.587
  153    H    LEU  22           H        LEU  22  -5.445  10.335  -2.246
  154    HA   LEU  22           HA       LEU  22  -5.411   8.159  -0.484
  155   1HB   LEU  22          2HB       LEU  22  -6.039  10.490   0.121
  156   2HB   LEU  22          1HB       LEU  22  -7.587  10.260  -0.693
  157    HG   LEU  22           HG       LEU  22  -8.037   8.322   0.831
  158   1HD1  LEU  22          1HD1      LEU  22  -5.991   7.540   1.612
  159   2HD1  LEU  22          2HD1      LEU  22  -6.510   8.516   2.986
  160   3HD1  LEU  22          3HD1      LEU  22  -5.340   9.164   1.836
  161   1HD2  LEU  22          1HD2      LEU  22  -7.416  10.928   2.258
  162   2HD2  LEU  22          2HD2      LEU  22  -8.570   9.701   2.781
  163   3HD2  LEU  22          3HD2      LEU  22  -8.873  10.626   1.310
  164    H    TRP  23           H        TRP  23  -7.967   8.990  -2.842
  165    HA   TRP  23           HA       TRP  23  -9.670   6.790  -2.066
  166   1HB   TRP  23          2HB       TRP  23 -10.985   7.358  -4.007
  167   2HB   TRP  23          1HB       TRP  23 -10.425   8.865  -3.281
  168    HD1  TRP  23           HD       TRP  23  -8.814  10.366  -4.653
  169    HE1  TRP  23           1HE      TRP  23  -7.883  10.257  -7.054
  170    HE3  TRP  23           3HE      TRP  23 -10.195   5.616  -5.918
  171    HZ2  TRP  23           2HZ      TRP  23  -7.743   8.399  -9.225
  172    HZ3  TRP  23           3HZ      TRP  23  -9.652   4.702  -8.156
  173    HH2  TRP  23           HH       TRP  23  -8.428   6.086  -9.809
  174    H    ARG  24           H        ARG  24  -7.233   7.199  -4.625
  175    HA   ARG  24           HA       ARG  24  -7.734   4.753  -5.990
  176   1HB   ARG  24          2HB       ARG  24  -6.284   6.560  -6.875
  177   2HB   ARG  24          1HB       ARG  24  -5.080   6.175  -5.643
  178   1HG   ARG  24          2HG       ARG  24  -4.842   3.910  -6.536
  179   2HG   ARG  24          1HG       ARG  24  -6.106   4.224  -7.726
  180   1HD   ARG  24          2HD       ARG  24  -4.525   5.004  -9.122
  181   2HD   ARG  24          1HD       ARG  24  -4.243   6.331  -7.992
  182    HE   ARG  24           HE       ARG  24  -2.762   4.274  -6.912
  183   1HH1  ARG  24          1HH2      ARG  24  -3.080   5.697 -10.035
  184   2HH1  ARG  24          2HH2      ARG  24  -1.427   5.420 -10.476
  185   1HH2  ARG  24          1HH1      ARG  24  -0.601   3.906  -7.469
  186   2HH2  ARG  24          2HH1      ARG  24  -0.024   4.408  -9.023
  187    H    GLN  25           H        GLN  25  -5.542   5.441  -3.247
  188    HA   GLN  25           HA       GLN  25  -4.256   2.960  -3.079
  189   1HB   GLN  25          2HB       GLN  25  -5.227   4.742  -0.831
  190   2HB   GLN  25          1HB       GLN  25  -4.123   3.382  -0.610
  191   1HG   GLN  25          2HG       GLN  25  -2.541   4.420  -2.221
  192   2HG   GLN  25          1HG       GLN  25  -3.629   5.801  -2.377
  193   1HE2  GLN  25          1HE2      GLN  25  -1.981   3.928   0.234
  194   2HE2  GLN  25          2HE2      GLN  25  -1.647   5.286   1.196
  195    H    GLN  26           H        GLN  26  -7.496   3.816  -1.829
  196    HA   GLN  26           HA       GLN  26  -8.010   1.272  -0.606
  197   1HB   GLN  26          2HB       GLN  26  -9.930   3.269  -1.843
  198   2HB   GLN  26          1HB       GLN  26 -10.421   1.888  -0.863
  199   1HG   GLN  26          2HG       GLN  26  -9.135   2.753   1.040
  200   2HG   GLN  26          1HG       GLN  26  -8.587   4.117   0.065
  201   1HE2  GLN  26          1HE2      GLN  26 -10.070   4.576   2.452
  202   2HE2  GLN  26          2HE2      GLN  26 -11.596   5.194   2.038
  203    H    ASN  27           H        ASN  27  -8.454   2.508  -3.888
  204    HA   ASN  27           HA       ASN  27  -9.843   0.268  -4.979
  205   1HB   ASN  27          2HB       ASN  27  -9.491   2.514  -6.092
  206   2HB   ASN  27          1HB       ASN  27  -7.830   2.019  -6.423
  207   1HD2  ASN  27          1HD2      ASN  27 -11.223   0.925  -6.966
  208   2HD2  ASN  27          2HD2      ASN  27 -10.892   0.152  -8.440
  209    H    LEU  28           H        LEU  28  -6.339   1.021  -5.005
  210    HA   LEU  28           HA       LEU  28  -5.600  -1.545  -6.112
  211   1HB   LEU  28          2HB       LEU  28  -3.869   0.345  -4.495
  212   2HB   LEU  28          1HB       LEU  28  -3.321  -0.883  -5.634
  213    HG   LEU  28           HG       LEU  28  -4.917   1.609  -6.294
  214   1HD1  LEU  28          1HD1      LEU  28  -2.868   2.098  -7.669
  215   2HD1  LEU  28          2HD1      LEU  28  -2.097   0.692  -6.932
  216   3HD1  LEU  28          3HD1      LEU  28  -2.560   2.070  -5.932
  217   1HD2  LEU  28          1HD2      LEU  28  -4.383   0.717  -8.692
  218   2HD2  LEU  28          2HD2      LEU  28  -5.734   0.005  -7.812
  219   3HD2  LEU  28          3HD2      LEU  28  -4.190  -0.842  -7.891
  220    H    ARG  29           H        ARG  29  -5.970  -0.305  -2.819
  221    HA   ARG  29           HA       ARG  29  -4.712  -2.639  -1.611
  222   1HB   ARG  29          2HB       ARG  29  -6.351  -0.358  -0.497
  223   2HB   ARG  29          1HB       ARG  29  -5.743  -1.672   0.512
  224   1HG   ARG  29          2HG       ARG  29  -3.442  -1.176  -0.195
  225   2HG   ARG  29          1HG       ARG  29  -4.031   0.113  -1.246
  226   1HD   ARG  29          2HD       ARG  29  -4.383   0.023   1.765
  227   2HD   ARG  29          1HD       ARG  29  -3.198   1.007   0.910
  228    HE   ARG  29           HE       ARG  29  -5.615   1.721  -0.244
  229   1HH1  ARG  29          1HH2      ARG  29  -4.327   1.525   2.950
  230   2HH1  ARG  29          2HH2      ARG  29  -5.293   2.826   3.561
  231   1HH2  ARG  29          1HH1      ARG  29  -6.880   3.418   0.535
  232   2HH2  ARG  29          2HH1      ARG  29  -6.739   3.898   2.193
  233    H    ARG  30           H        ARG  30  -8.101  -1.598  -2.116
  234    HA   ARG  30           HA       ARG  30  -9.236  -3.835  -0.710
  235   1HB   ARG  30          2HB       ARG  30 -10.485  -1.740  -1.350
  236   2HB   ARG  30          1HB       ARG  30 -10.492  -2.319  -3.017
  237   1HG   ARG  30          2HG       ARG  30 -11.773  -4.267  -2.420
  238   2HG   ARG  30          1HG       ARG  30 -11.571  -3.941  -0.699
  239   1HD   ARG  30          2HD       ARG  30 -12.970  -2.028  -2.582
  240   2HD   ARG  30          1HD       ARG  30 -13.822  -3.264  -1.659
  241    HE   ARG  30           HE       ARG  30 -12.344  -1.919   0.256
  242   1HH1  ARG  30          1HH2      ARG  30 -14.561  -1.056  -2.241
  243   2HH1  ARG  30          2HH2      ARG  30 -15.180   0.323  -1.395
  244   1HH2  ARG  30          1HH1      ARG  30 -13.138  -0.127   1.372
  245   2HH2  ARG  30          2HH1      ARG  30 -14.374   0.849   0.652
  246    H    GLU  31           H        GLU  31  -8.297  -3.328  -4.095
  247    HA   GLU  31           HA       GLU  31  -9.356  -5.745  -5.168
  248   1HB   GLU  31          2HB       GLU  31  -6.986  -4.022  -5.907
  249   2HB   GLU  31          1HB       GLU  31  -7.362  -5.491  -6.805
  250   1HG   GLU  31          2HG       GLU  31  -9.608  -4.636  -7.301
  251   2HG   GLU  31          1HG       GLU  31  -9.276  -3.182  -6.359
  252    H    ARG  32           H        ARG  32  -6.704  -5.151  -3.035
  253    HA   ARG  32           HA       ARG  32  -5.710  -7.936  -3.455
  254   1HB   ARG  32          2HB       ARG  32  -4.354  -5.483  -2.310
  255   2HB   ARG  32          1HB       ARG  32  -3.649  -7.100  -2.269
  256   1HG   ARG  32          2HG       ARG  32  -3.765  -7.225  -4.724
  257   2HG   ARG  32          1HG       ARG  32  -4.490  -5.618  -4.777
  258   1HD   ARG  32          2HD       ARG  32  -2.357  -4.934  -3.388
  259   2HD   ARG  32          1HD       ARG  32  -1.678  -6.403  -4.086
  260    HE   ARG  32           HE       ARG  32  -2.006  -3.945  -5.485
  261   1HH1  ARG  32          1HH2      ARG  32  -2.590  -7.331  -5.770
  262   2HH1  ARG  32          2HH2      ARG  32  -2.456  -7.344  -7.497
  263   1HH2  ARG  32          1HH1      ARG  32  -1.829  -3.941  -7.737
  264   2HH2  ARG  32          2HH1      ARG  32  -2.026  -5.425  -8.611
  265    H    GLY  33           H        GLY  33  -7.867  -6.487  -1.535
  266   1HA   GLY  33          2HA       GLY  33  -8.793  -7.230   0.508
  267   2HA   GLY  33          1HA       GLY  33  -7.536  -8.465   0.572
  268    H    LEU  34           H        LEU  34  -7.286  -4.897   0.465
  269    HA   LEU  34           HA       LEU  34  -6.142  -4.949   3.204
  270   1HB   LEU  34          2HB       LEU  34  -4.710  -3.945   0.734
  271   2HB   LEU  34          1HB       LEU  34  -4.246  -3.469   2.367
  272    HG   LEU  34           HG       LEU  34  -4.436  -6.343   1.424
  273   1HD1  LEU  34          1HD1      LEU  34  -1.928  -6.244   1.529
  274   2HD1  LEU  34          2HD1      LEU  34  -2.050  -4.498   1.744
  275   3HD1  LEU  34          3HD1      LEU  34  -2.615  -5.243   0.250
  276   1HD2  LEU  34          1HD2      LEU  34  -3.824  -4.966   3.997
  277   2HD2  LEU  34          2HD2      LEU  34  -2.833  -6.367   3.591
  278   3HD2  LEU  34          3HD2      LEU  34  -4.584  -6.532   3.715
  279    H    PHE  35           H        PHE  35  -8.396  -3.714   1.294
  280    HA   PHE  35           HA       PHE  35  -9.486  -1.623   1.110
  281   1HB   PHE  35          2HB       PHE  35 -10.112  -0.751   3.246
  282   2HB   PHE  35          1HB       PHE  35  -9.918  -2.488   3.475
  283    HD1  PHE  35           1HD      PHE  35  -8.277   0.812   3.950
  284    HD2  PHE  35           2HD      PHE  35  -8.208  -3.377   4.893
  285    HE1  PHE  35           1HE      PHE  35  -6.553   1.231   5.684
  286    HE2  PHE  35           2HE      PHE  35  -6.485  -2.959   6.626
  287    HZ   PHE  35           HZ       PHE  35  -5.658  -0.654   7.021
  Start of MODEL   16
    1   1H    LEU   1          1HT       LEU   1   1.798  -1.066  11.810
    2   2H    LEU   1          2HT       LEU   1   1.276  -0.117  10.501
    3   3H    LEU   1          3HT       LEU   1   2.539  -1.235  10.294
    4    HA   LEU   1           HA       LEU   1   0.473  -2.743  11.264
    5   1HB   LEU   1          2HB       LEU   1  -0.452  -0.572   9.384
    6   2HB   LEU   1          1HB       LEU   1  -1.259  -2.140   9.433
    7    HG   LEU   1           HG       LEU   1  -1.585  -1.857  11.888
    8   1HD1  LEU   1          1HD1      LEU   1  -0.241   0.778  11.279
    9   2HD1  LEU   1          2HD1      LEU   1   0.167  -0.396  12.532
   10   3HD1  LEU   1          3HD1      LEU   1  -1.294   0.582  12.681
   11   1HD2  LEU   1          1HD2      LEU   1  -3.354  -0.156  11.707
   12   2HD2  LEU   1          2HD2      LEU   1  -3.345  -1.180  10.272
   13   3HD2  LEU   1          3HD2      LEU   1  -2.645   0.437  10.204
   14    H    SER   2           H        SER   2   1.477  -4.513  10.414
   15    HA   SER   2           HA       SER   2   2.554  -5.895   8.839
   16   1HB   SER   2          2HB       SER   2   1.356  -5.730   6.531
   17   2HB   SER   2          1HB       SER   2   0.421  -6.264   7.923
   18    HG   SER   2           HG       SER   2   0.571  -3.620   6.887
   19    H    ASP   3           H        ASP   3   3.790  -3.288   9.241
   20    HA   ASP   3           HA       ASP   3   4.458  -1.953   6.835
   21   1HB   ASP   3          2HB       ASP   3   6.308  -2.440   9.190
   22   2HB   ASP   3          1HB       ASP   3   6.425  -1.134   8.011
   23    H    GLU   4           H        GLU   4   5.661  -4.957   8.219
   24    HA   GLU   4           HA       GLU   4   7.826  -5.227   6.277
   25   1HB   GLU   4          2HB       GLU   4   7.766  -6.303   8.591
   26   2HB   GLU   4          1HB       GLU   4   6.575  -7.428   7.937
   27   1HG   GLU   4          2HG       GLU   4   8.201  -8.051   6.148
   28   2HG   GLU   4          1HG       GLU   4   9.398  -7.007   6.916
   29    H    ASP   5           H        ASP   5   4.766  -7.011   6.814
   30    HA   ASP   5           HA       ASP   5   4.833  -8.400   4.316
   31   1HB   ASP   5          2HB       ASP   5   2.577  -7.645   6.185
   32   2HB   ASP   5          1HB       ASP   5   2.305  -8.579   4.713
   33    H    PHE   6           H        PHE   6   3.413  -5.291   5.273
   34    HA   PHE   6           HA       PHE   6   2.026  -4.689   2.883
   35   1HB   PHE   6          2HB       PHE   6   1.841  -3.310   4.907
   36   2HB   PHE   6          1HB       PHE   6   3.523  -2.809   4.734
   37    HD1  PHE   6           1HD      PHE   6   0.104  -2.396   3.496
   38    HD2  PHE   6           2HD      PHE   6   4.222  -1.359   2.851
   39    HE1  PHE   6           1HE      PHE   6  -0.594  -0.568   1.971
   40    HE2  PHE   6           2HE      PHE   6   3.523   0.468   1.326
   41    HZ   PHE   6           HZ       PHE   6   1.115   0.863   0.887
   42    H    ARG   7           H        ARG   7   5.325  -3.596   3.767
   43    HA   ARG   7           HA       ARG   7   6.021  -2.420   1.330
   44   1HB   ARG   7          2HB       ARG   7   7.445  -2.345   3.347
   45   2HB   ARG   7          1HB       ARG   7   7.827  -4.055   3.142
   46   1HG   ARG   7          2HG       ARG   7   8.936  -3.630   1.042
   47   2HG   ARG   7          1HG       ARG   7   8.379  -1.956   1.028
   48   1HD   ARG   7          2HD       ARG   7  10.674  -1.949   1.774
   49   2HD   ARG   7          1HD       ARG   7   9.661  -1.603   3.174
   50    HE   ARG   7           HE       ARG   7   9.976  -4.365   3.220
   51   1HH1  ARG   7          1HH2      ARG   7  12.029  -1.599   3.095
   52   2HH1  ARG   7          2HH2      ARG   7  13.328  -2.361   3.952
   53   1HH2  ARG   7          1HH1      ARG   7  11.657  -5.375   4.336
   54   2HH2  ARG   7          2HH1      ARG   7  13.118  -4.499   4.654
   55    H    ALA   8           H        ALA   8   5.953  -5.849   2.162
   56    HA   ALA   8           HA       ALA   8   7.308  -6.742  -0.233
   57   1HB   ALA   8          1HB       ALA   8   7.181  -8.165   1.754
   58   2HB   ALA   8          2HB       ALA   8   6.398  -8.973   0.396
   59   3HB   ALA   8          3HB       ALA   8   5.421  -8.197   1.644
   60    H    VAL   9           H        VAL   9   3.962  -5.987   0.558
   61    HA   VAL   9           HA       VAL   9   2.834  -7.327  -1.746
   62    HB   VAL   9           HB       VAL   9   1.740  -5.153   0.054
   63   1HG1  VAL   9          1HG1      VAL   9  -0.475  -5.965  -0.962
   64   2HG1  VAL   9          2HG1      VAL   9   0.505  -6.695  -2.234
   65   3HG1  VAL   9          3HG1      VAL   9   0.536  -4.949  -1.990
   66   1HG2  VAL   9          1HG2      VAL   9   0.574  -6.930   1.149
   67   2HG2  VAL   9          2HG2      VAL   9   2.233  -7.500   0.962
   68   3HG2  VAL   9          3HG2      VAL   9   0.975  -8.075  -0.131
   69   1HN   PF5  10          H         PF5  10   3.479  -3.846  -1.089
   70    HA   PF5  10           HA       PF5  10   3.026  -3.352  -3.987
   71   1HB   PF5  10          1HB       PF5  10   2.783  -1.020  -3.383
   72   2HB   PF5  10          2HB       PF5  10   3.380  -1.339  -1.749
   73    H    GLY  11           H        GLY  11   5.588  -3.849  -1.840
   74   1HA   GLY  11          2HA       GLY  11   7.900  -3.824  -2.331
   75   2HA   GLY  11          1HA       GLY  11   7.513  -3.156  -3.917
   76    H    MET  12           H        MET  12   6.174  -1.560  -1.153
   77    HA   MET  12           HA       MET  12   8.401   0.346  -0.923
   78   1HB   MET  12          2HB       MET  12   6.782   2.279  -1.441
   79   2HB   MET  12          1HB       MET  12   7.384   1.358  -2.821
   80   1HG   MET  12          2HG       MET  12   5.329  -0.007  -2.812
   81   2HG   MET  12          1HG       MET  12   4.724   0.912  -1.433
   82   1HE   MET  12          1HE       MET  12   6.683   2.485  -4.737
   83   2HE   MET  12          2HE       MET  12   5.296   2.117  -5.760
   84   3HE   MET  12          3HE       MET  12   6.064   0.831  -4.833
   85    H    THR  13           H        THR  13   8.103   1.788   0.903
   86    HA   THR  13           HA       THR  13   6.643   0.581   3.080
   87    HB   THR  13           HB       THR  13   7.262   2.818   4.227
   88    HG1  THR  13           1HG      THR  13   7.526   4.018   2.338
   89   1HG2  THR  13          1HG2      THR  13   9.626   2.134   4.406
   90   2HG2  THR  13          2HG2      THR  13   9.426   1.082   3.005
   91   3HG2  THR  13          3HG2      THR  13   8.552   0.739   4.498
   92    H    ARG  14           H        ARG  14   4.837   1.527   4.242
   93    HA   ARG  14           HA       ARG  14   2.682   2.398   2.643
   94   1HB   ARG  14          2HB       ARG  14   3.158   2.888   5.598
   95   2HB   ARG  14          1HB       ARG  14   1.611   3.090   4.778
   96   1HG   ARG  14          2HG       ARG  14   1.771   0.677   4.054
   97   2HG   ARG  14          1HG       ARG  14   3.185   0.520   5.096
   98   1HD   ARG  14          2HD       ARG  14   0.339   1.126   5.918
   99   2HD   ARG  14          1HD       ARG  14   1.355  -0.211   6.434
  100    HE   ARG  14           HE       ARG  14   1.285   2.394   7.642
  101   1HH1  ARG  14          1HH2      ARG  14   3.432  -0.109   6.609
  102   2HH1  ARG  14          2HH2      ARG  14   4.677   0.315   7.738
  103   1HH2  ARG  14          1HH1      ARG  14   2.899   2.949   9.122
  104   2HH2  ARG  14          2HH1      ARG  14   4.375   2.044   9.156
  105    H    SER  15           H        SER  15   5.275   4.243   4.130
  106    HA   SER  15           HA       SER  15   4.048   6.826   4.020
  107   1HB   SER  15          2HB       SER  15   6.987   6.169   3.657
  108   2HB   SER  15          1HB       SER  15   6.312   7.722   4.142
  109    HG   SER  15           HG       SER  15   5.961   5.282   5.554
  110    H    ALA  16           H        ALA  16   6.090   5.090   1.665
  111    HA   ALA  16           HA       ALA  16   5.881   7.173  -0.340
  112   1HB   ALA  16          1HB       ALA  16   6.815   4.311  -0.335
  113   2HB   ALA  16          2HB       ALA  16   7.748   5.777  -0.632
  114   3HB   ALA  16          3HB       ALA  16   6.626   5.183  -1.856
  115    H    PHE  17           H        PHE  17   4.218   4.075   0.232
  116    HA   PHE  17           HA       PHE  17   2.589   4.094  -2.100
  117   1HB   PHE  17          2HB       PHE  17   2.861   2.196  -0.419
  118   2HB   PHE  17          1HB       PHE  17   1.724   3.065   0.613
  119    HD1  PHE  17           1HD      PHE  17   2.091   1.819  -2.905
  120    HD2  PHE  17           2HD      PHE  17  -0.574   2.710   0.344
  121    HE1  PHE  17           1HE      PHE  17   0.197   0.884  -4.203
  122    HE2  PHE  17           2HE      PHE  17  -2.468   1.775  -0.954
  123    HZ   PHE  17           HZ       PHE  17  -2.083   0.861  -3.227
  124    H    ALA  18           H        ALA  18   2.146   5.616   1.077
  125    HA   ALA  18           HA       ALA  18  -0.518   6.537   0.707
  126   1HB   ALA  18          1HB       ALA  18  -0.048   8.122   2.465
  127   2HB   ALA  18          2HB       ALA  18   1.686   8.025   2.160
  128   3HB   ALA  18          3HB       ALA  18   0.834   6.643   2.847
  129    H    ASN  19           H        ASN  19   2.398   7.446  -0.850
  130    HA   ASN  19           HA       ASN  19   1.835  10.176  -1.476
  131   1HB   ASN  19          2HB       ASN  19   4.039   8.987  -1.810
  132   2HB   ASN  19          1HB       ASN  19   3.328   8.198  -3.217
  133   1HD2  ASN  19          1HD2      ASN  19   3.987  11.472  -1.879
  134   2HD2  ASN  19          2HD2      ASN  19   4.135  12.224  -3.393
  135    H    LEU  20           H        LEU  20   0.840   7.146  -3.022
  136    HA   LEU  20           HA       LEU  20  -0.221   8.264  -5.428
  137   1HB   LEU  20          2HB       LEU  20  -1.249   5.847  -3.909
  138   2HB   LEU  20          1HB       LEU  20  -1.478   6.186  -5.625
  139    HG   LEU  20           HG       LEU  20   1.242   5.852  -4.332
  140   1HD1  LEU  20          1HD1      LEU  20   0.252   3.714  -4.140
  141   2HD1  LEU  20          2HD1      LEU  20   1.132   3.635  -5.666
  142   3HD1  LEU  20          3HD1      LEU  20  -0.613   3.882  -5.667
  143   1HD2  LEU  20          1HD2      LEU  20   0.211   6.180  -7.149
  144   2HD2  LEU  20          2HD2      LEU  20   1.756   5.388  -6.843
  145   3HD2  LEU  20          3HD2      LEU  20   1.509   7.060  -6.342
  146    HA   PRO  21           HA       PRO  21  -3.862  10.538  -4.414
  147   1HB   PRO  21          2HB       PRO  21  -5.256   8.536  -6.180
  148   2HB   PRO  21          1HB       PRO  21  -5.421  10.305  -6.143
  149   1HG   PRO  21          2HG       PRO  21  -3.960   9.183  -8.014
  150   2HG   PRO  21          1HG       PRO  21  -3.378  10.644  -7.194
  151   1HD   PRO  21          2HD       PRO  21  -2.463   7.811  -6.857
  152   2HD   PRO  21          1HD       PRO  21  -1.526   9.317  -6.748
  153    H    LEU  22           H        LEU  22  -5.266  10.432  -2.712
  154    HA   LEU  22           HA       LEU  22  -5.425   8.239  -0.975
  155   1HB   LEU  22          2HB       LEU  22  -7.526  10.389  -1.360
  156   2HB   LEU  22          1HB       LEU  22  -7.296   9.406   0.086
  157    HG   LEU  22           HG       LEU  22  -5.257  11.328  -1.075
  158   1HD1  LEU  22          1HD1      LEU  22  -5.707  12.533   1.111
  159   2HD1  LEU  22          2HD1      LEU  22  -7.094  11.468   1.330
  160   3HD1  LEU  22          3HD1      LEU  22  -7.040  12.576  -0.042
  161   1HD2  LEU  22          1HD2      LEU  22  -3.961   9.713  -0.005
  162   2HD2  LEU  22          2HD2      LEU  22  -5.227   9.325   1.161
  163   3HD2  LEU  22          3HD2      LEU  22  -4.296  10.813   1.333
  164    H    TRP  23           H        TRP  23  -7.848   9.193  -3.440
  165    HA   TRP  23           HA       TRP  23  -9.637   7.031  -2.904
  166   1HB   TRP  23          2HB       TRP  23 -10.684   7.590  -4.997
  167   2HB   TRP  23          1HB       TRP  23 -10.143   9.100  -4.264
  168    HD1  TRP  23           HD       TRP  23  -8.358  10.493  -5.514
  169    HE1  TRP  23           1HE      TRP  23  -7.143  10.239  -7.774
  170    HE3  TRP  23           3HE      TRP  23  -9.701   5.713  -6.703
  171    HZ2  TRP  23           2HZ      TRP  23  -6.789   8.266  -9.816
  172    HZ3  TRP  23           3HZ      TRP  23  -8.913   4.672  -8.808
  173    HH2  TRP  23           HH       TRP  23  -7.460   5.941 -10.365
  174    H    ARG  24           H        ARG  24  -6.832   7.269  -5.066
  175    HA   ARG  24           HA       ARG  24  -7.267   4.758  -6.394
  176   1HB   ARG  24          2HB       ARG  24  -5.742   6.525  -7.247
  177   2HB   ARG  24          1HB       ARG  24  -4.647   6.199  -5.904
  178   1HG   ARG  24          2HG       ARG  24  -4.359   3.887  -6.658
  179   2HG   ARG  24          1HG       ARG  24  -5.511   4.153  -7.969
  180   1HD   ARG  24          2HD       ARG  24  -3.834   4.901  -9.263
  181   2HD   ARG  24          1HD       ARG  24  -3.572   6.226  -8.126
  182    HE   ARG  24           HE       ARG  24  -2.257   4.119  -6.935
  183   1HH1  ARG  24          1HH2      ARG  24  -2.301   5.526 -10.081
  184   2HH1  ARG  24          2HH2      ARG  24  -0.636   5.177 -10.406
  185   1HH2  ARG  24          1HH1      ARG  24  -0.080   3.656  -7.340
  186   2HH2  ARG  24          2HH1      ARG  24   0.622   4.119  -8.855
  187    H    GLN  25           H        GLN  25  -5.229   5.614  -3.571
  188    HA   GLN  25           HA       GLN  25  -4.051   3.109  -3.137
  189   1HB   GLN  25          2HB       GLN  25  -5.060   5.070  -1.059
  190   2HB   GLN  25          1HB       GLN  25  -3.953   3.735  -0.733
  191   1HG   GLN  25          2HG       GLN  25  -2.286   4.671  -2.235
  192   2HG   GLN  25          1HG       GLN  25  -3.406   5.934  -2.751
  193   1HE2  GLN  25          1HE2      GLN  25  -3.496   5.035   0.616
  194   2HE2  GLN  25          2HE2      GLN  25  -2.691   6.405   1.213
  195    H    GLN  26           H        GLN  26  -7.265   4.212  -1.988
  196    HA   GLN  26           HA       GLN  26  -7.924   1.714  -0.714
  197   1HB   GLN  26          2HB       GLN  26  -9.742   3.820  -1.929
  198   2HB   GLN  26          1HB       GLN  26 -10.279   2.500  -0.889
  199   1HG   GLN  26          2HG       GLN  26  -8.865   3.336   0.937
  200   2HG   GLN  26          1HG       GLN  26  -8.278   4.637  -0.099
  201   1HE2  GLN  26          1HE2      GLN  26  -9.641   5.235   2.335
  202   2HE2  GLN  26          2HE2      GLN  26 -11.140   5.937   1.961
  203    H    ASN  27           H        ASN  27  -8.172   2.922  -4.004
  204    HA   ASN  27           HA       ASN  27  -9.819   0.830  -5.069
  205   1HB   ASN  27          2HB       ASN  27  -9.185   3.054  -6.172
  206   2HB   ASN  27          1HB       ASN  27  -7.644   2.299  -6.580
  207   1HD2  ASN  27          1HD2      ASN  27  -9.801  -0.216  -6.583
  208   2HD2  ASN  27          2HD2      ASN  27 -10.257  -0.200  -8.217
  209    H    LEU  28           H        LEU  28  -6.259   1.245  -5.100
  210    HA   LEU  28           HA       LEU  28  -5.764  -1.381  -6.199
  211   1HB   LEU  28          2HB       LEU  28  -3.885   0.361  -4.577
  212   2HB   LEU  28          1HB       LEU  28  -3.429  -0.945  -5.668
  213    HG   LEU  28           HG       LEU  28  -4.806   1.640  -6.453
  214   1HD1  LEU  28          1HD1      LEU  28  -2.674   2.004  -7.705
  215   2HD1  LEU  28          2HD1      LEU  28  -2.023   0.544  -6.963
  216   3HD1  LEU  28          3HD1      LEU  28  -2.431   1.935  -5.960
  217   1HD2  LEU  28          1HD2      LEU  28  -5.641   0.068  -7.983
  218   2HD2  LEU  28          2HD2      LEU  28  -4.170  -0.903  -7.933
  219   3HD2  LEU  28          3HD2      LEU  28  -4.180   0.635  -8.795
  220    H    ARG  29           H        ARG  29  -6.067  -0.124  -2.909
  221    HA   ARG  29           HA       ARG  29  -4.993  -2.520  -1.669
  222   1HB   ARG  29          2HB       ARG  29  -6.546  -0.151  -0.628
  223   2HB   ARG  29          1HB       ARG  29  -6.101  -1.506   0.411
  224   1HG   ARG  29          2HG       ARG  29  -3.726  -1.184  -0.179
  225   2HG   ARG  29          1HG       ARG  29  -4.167   0.171  -1.218
  226   1HD   ARG  29          2HD       ARG  29  -4.694   0.031   1.766
  227   2HD   ARG  29          1HD       ARG  29  -3.381   0.932   1.012
  228    HE   ARG  29           HE       ARG  29  -5.663   1.873  -0.259
  229   1HH1  ARG  29          1HH2      ARG  29  -4.566   1.506   2.992
  230   2HH1  ARG  29          2HH2      ARG  29  -5.449   2.875   3.583
  231   1HH2  ARG  29          1HH1      ARG  29  -6.818   3.657   0.494
  232   2HH2  ARG  29          2HH1      ARG  29  -6.724   4.093   2.167
  233    H    ARG  30           H        ARG  30  -8.315  -1.332  -2.290
  234    HA   ARG  30           HA       ARG  30  -9.618  -3.501  -0.943
  235   1HB   ARG  30          2HB       ARG  30 -10.658  -1.309  -1.826
  236   2HB   ARG  30          1HB       ARG  30 -10.746  -2.128  -3.387
  237   1HG   ARG  30          2HG       ARG  30 -12.737  -2.924  -2.640
  238   2HG   ARG  30          1HG       ARG  30 -11.761  -4.035  -1.679
  239   1HD   ARG  30          2HD       ARG  30 -12.891  -1.367  -0.800
  240   2HD   ARG  30          1HD       ARG  30 -13.310  -2.960  -0.176
  241    HE   ARG  30           HE       ARG  30 -10.592  -2.783   0.288
  242   1HH1  ARG  30          1HH2      ARG  30 -13.353  -0.823   0.944
  243   2HH1  ARG  30          2HH2      ARG  30 -12.701  -0.163   2.406
  244   1HH2  ARG  30          1HH1      ARG  30  -9.727  -1.934   2.191
  245   2HH2  ARG  30          2HH1      ARG  30 -10.647  -0.791   3.112
  246    H    GLU  31           H        GLU  31  -8.627  -3.076  -4.344
  247    HA   GLU  31           HA       GLU  31  -9.599  -5.616  -5.262
  248   1HB   GLU  31          2HB       GLU  31  -7.287  -3.915  -6.256
  249   2HB   GLU  31          1HB       GLU  31  -7.964  -5.291  -7.127
  250   1HG   GLU  31          2HG       GLU  31  -9.550  -2.845  -6.291
  251   2HG   GLU  31          1HG       GLU  31  -8.884  -3.101  -7.904
  252    H    ARG  32           H        ARG  32  -6.988  -4.750  -3.225
  253    HA   ARG  32           HA       ARG  32  -5.415  -7.170  -3.829
  254   1HB   ARG  32          2HB       ARG  32  -4.439  -4.873  -3.218
  255   2HB   ARG  32          1HB       ARG  32  -4.933  -5.235  -1.564
  256   1HG   ARG  32          2HG       ARG  32  -2.732  -6.046  -1.623
  257   2HG   ARG  32          1HG       ARG  32  -3.685  -7.496  -1.944
  258   1HD   ARG  32          2HD       ARG  32  -3.350  -6.387  -4.466
  259   2HD   ARG  32          1HD       ARG  32  -1.797  -6.090  -3.685
  260    HE   ARG  32           HE       ARG  32  -2.567  -8.592  -4.687
  261   1HH1  ARG  32          1HH2      ARG  32  -1.593  -7.186  -1.693
  262   2HH1  ARG  32          2HH2      ARG  32  -0.860  -8.637  -1.096
  263   1HH2  ARG  32          1HH1      ARG  32  -1.617 -10.496  -3.925
  264   2HH2  ARG  32          2HH1      ARG  32  -0.875 -10.511  -2.360
  265    H    GLY  33           H        GLY  33  -7.845  -6.149  -1.545
  266   1HA   GLY  33          2HA       GLY  33  -9.055  -7.702  -0.157
  267   2HA   GLY  33          1HA       GLY  33  -7.720  -8.842  -0.318
  268    H    LEU  34           H        LEU  34  -6.392  -5.855   0.311
  269    HA   LEU  34           HA       LEU  34  -6.134  -6.549   3.201
  270   1HB   LEU  34          2HB       LEU  34  -4.435  -4.587   1.646
  271   2HB   LEU  34          1HB       LEU  34  -4.069  -5.344   3.196
  272    HG   LEU  34           HG       LEU  34  -4.329  -6.792   0.544
  273   1HD1  LEU  34          1HD1      LEU  34  -2.267  -5.356   0.896
  274   2HD1  LEU  34          2HD1      LEU  34  -1.940  -7.072   0.654
  275   3HD1  LEU  34          3HD1      LEU  34  -1.878  -6.383   2.276
  276   1HD2  LEU  34          1HD2      LEU  34  -3.855  -7.697   3.385
  277   2HD2  LEU  34          2HD2      LEU  34  -3.290  -8.658   2.018
  278   3HD2  LEU  34          3HD2      LEU  34  -5.011  -8.326   2.211
  279    H    PHE  35           H        PHE  35  -6.143  -4.716   4.744
  280    HA   PHE  35           HA       PHE  35  -7.260  -2.867   5.667
  281   1HB   PHE  35          2HB       PHE  35  -6.557  -1.886   2.894
  282   2HB   PHE  35          1HB       PHE  35  -7.302  -0.844   4.106
  283    HD1  PHE  35           1HD      PHE  35  -4.305  -2.869   3.295
  284    HD2  PHE  35           2HD      PHE  35  -6.065  -0.046   6.011
  285    HE1  PHE  35           1HE      PHE  35  -2.087  -2.488   4.336
  286    HE2  PHE  35           2HE      PHE  35  -3.847   0.334   7.053
  287    HZ   PHE  35           HZ       PHE  35  -1.858  -0.887   6.215
  Start of MODEL   17
    1   1H    LEU   1          1HT       LEU   1   2.512  -1.658  11.052
    2   2H    LEU   1          2HT       LEU   1   1.357  -0.641  11.773
    3   3H    LEU   1          3HT       LEU   1   1.782  -0.427  10.143
    4    HA   LEU   1           HA       LEU   1   0.311  -2.721  11.317
    5   1HB   LEU   1          2HB       LEU   1  -0.939  -0.570  10.875
    6   2HB   LEU   1          1HB       LEU   1  -0.503  -0.737   9.175
    7    HG   LEU   1           HG       LEU   1  -1.527  -3.104   9.344
    8   1HD1  LEU   1          1HD1      LEU   1  -3.418  -3.066  11.109
    9   2HD1  LEU   1          2HD1      LEU   1  -2.477  -1.800  11.895
   10   3HD1  LEU   1          3HD1      LEU   1  -1.784  -3.407  11.677
   11   1HD2  LEU   1          1HD2      LEU   1  -3.859  -2.130   9.086
   12   2HD2  LEU   1          2HD2      LEU   1  -2.630  -1.390   8.060
   13   3HD2  LEU   1          3HD2      LEU   1  -3.173  -0.565   9.522
   14    H    SER   2           H        SER   2   1.174  -4.541  10.415
   15    HA   SER   2           HA       SER   2   2.137  -5.955   8.796
   16   1HB   SER   2          2HB       SER   2  -0.018  -4.445   7.322
   17   2HB   SER   2          1HB       SER   2   0.944  -5.678   6.513
   18    HG   SER   2           HG       SER   2  -1.146  -6.007   8.099
   19    H    ASP   3           H        ASP   3   3.556  -3.443   9.250
   20    HA   ASP   3           HA       ASP   3   4.311  -2.119   6.861
   21   1HB   ASP   3          2HB       ASP   3   6.338  -1.463   8.047
   22   2HB   ASP   3          1HB       ASP   3   4.980  -1.411   9.171
   23    H    GLU   4           H        GLU   4   5.286  -5.226   8.190
   24    HA   GLU   4           HA       GLU   4   7.435  -5.607   6.241
   25   1HB   GLU   4          2HB       GLU   4   7.282  -6.694   8.564
   26   2HB   GLU   4          1HB       GLU   4   6.070  -7.765   7.860
   27   1HG   GLU   4          2HG       GLU   4   8.185  -8.893   7.670
   28   2HG   GLU   4          1HG       GLU   4   7.759  -8.326   6.055
   29    H    ASP   5           H        ASP   5   4.258  -7.170   6.780
   30    HA   ASP   5           HA       ASP   5   4.235  -8.562   4.278
   31   1HB   ASP   5          2HB       ASP   5   2.016  -7.669   6.136
   32   2HB   ASP   5          1HB       ASP   5   1.717  -8.625   4.684
   33    H    PHE   6           H        PHE   6   3.041  -5.369   5.254
   34    HA   PHE   6           HA       PHE   6   1.677  -4.692   2.856
   35   1HB   PHE   6          2HB       PHE   6   1.520  -3.333   4.897
   36   2HB   PHE   6          1HB       PHE   6   3.223  -2.895   4.750
   37    HD1  PHE   6           1HD      PHE   6  -0.163  -2.300   3.521
   38    HD2  PHE   6           2HD      PHE   6   4.001  -1.487   2.851
   39    HE1  PHE   6           1HE      PHE   6  -0.772  -0.429   2.011
   40    HE2  PHE   6           2HE      PHE   6   3.392   0.384   1.340
   41    HZ   PHE   6           HZ       PHE   6   1.006   0.913   0.921
   42    H    ARG   7           H        ARG   7   5.001  -3.736   3.800
   43    HA   ARG   7           HA       ARG   7   5.771  -2.564   1.379
   44   1HB   ARG   7          2HB       ARG   7   7.113  -2.658   3.523
   45   2HB   ARG   7          1HB       ARG   7   7.583  -4.300   3.080
   46   1HG   ARG   7          2HG       ARG   7   8.541  -3.455   0.967
   47   2HG   ARG   7          1HG       ARG   7   8.075  -1.813   1.413
   48   1HD   ARG   7          2HD       ARG   7   9.461  -2.755   3.643
   49   2HD   ARG   7          1HD       ARG   7  10.380  -3.376   2.275
   50    HE   ARG   7           HE       ARG   7  10.478  -0.702   3.125
   51   1HH1  ARG   7          1HH2      ARG   7   9.715  -2.492   0.280
   52   2HH1  ARG   7          2HH2      ARG   7  10.239  -1.246  -0.803
   53   1HH2  ARG   7          1HH1      ARG   7  11.165   0.932   1.730
   54   2HH2  ARG   7          2HH1      ARG   7  11.060   0.693   0.017
   55    H    ALA   8           H        ALA   8   5.700  -6.003   2.225
   56    HA   ALA   8           HA       ALA   8   7.039  -6.942  -0.136
   57   1HB   ALA   8          1HB       ALA   8   6.766  -8.382   1.811
   58   2HB   ALA   8          2HB       ALA   8   5.960  -9.126   0.431
   59   3HB   ALA   8          3HB       ALA   8   5.011  -8.299   1.666
   60    H    VAL   9           H        VAL   9   3.710  -6.001   0.502
   61    HA   VAL   9           HA       VAL   9   2.603  -7.280  -1.843
   62    HB   VAL   9           HB       VAL   9   1.584  -5.022  -0.104
   63   1HG1  VAL   9          1HG1      VAL   9   0.556  -4.786  -2.279
   64   2HG1  VAL   9          2HG1      VAL   9  -0.621  -5.564  -1.218
   65   3HG1  VAL   9          3HG1      VAL   9   0.280  -6.525  -2.391
   66   1HG2  VAL   9          1HG2      VAL   9   0.285  -6.689   0.970
   67   2HG2  VAL   9          2HG2      VAL   9   1.868  -7.442   0.773
   68   3HG2  VAL   9          3HG2      VAL   9   0.552  -7.854  -0.327
   69   1HN   PF5  10          H         PF5  10   3.474  -3.850  -1.189
   70    HA   PF5  10           HA       PF5  10   3.240  -3.392  -4.126
   71   1HB   PF5  10          1HB       PF5  10   2.910  -1.075  -3.621
   72   2HB   PF5  10          2HB       PF5  10   3.459  -1.297  -1.955
   73    H    GLY  11           H        GLY  11   5.574  -3.864  -1.723
   74   1HA   GLY  11          2HA       GLY  11   7.922  -3.892  -1.995
   75   2HA   GLY  11          1HA       GLY  11   7.702  -3.249  -3.623
   76    H    MET  12           H        MET  12   6.138  -1.587  -1.018
   77    HA   MET  12           HA       MET  12   8.366   0.315  -0.676
   78   1HB   MET  12          2HB       MET  12   6.758   2.235  -1.262
   79   2HB   MET  12          1HB       MET  12   7.411   1.311  -2.615
   80   1HG   MET  12          2HG       MET  12   5.362  -0.066  -2.667
   81   2HG   MET  12          1HG       MET  12   4.705   0.863  -1.319
   82   1HE   MET  12          1HE       MET  12   5.151   0.416  -4.945
   83   2HE   MET  12          2HE       MET  12   6.537   1.490  -4.773
   84   3HE   MET  12          3HE       MET  12   5.134   2.015  -5.701
   85    H    THR  13           H        THR  13   7.924   1.841   1.089
   86    HA   THR  13           HA       THR  13   6.390   0.605   3.223
   87    HB   THR  13           HB       THR  13   7.013   2.777   4.437
   88    HG1  THR  13           1HG      THR  13   8.913   3.269   2.524
   89   1HG2  THR  13          1HG2      THR  13   8.328   0.689   4.601
   90   2HG2  THR  13          2HG2      THR  13   9.367   2.114   4.640
   91   3HG2  THR  13          3HG2      THR  13   9.236   1.158   3.164
   92    H    ARG  14           H        ARG  14   4.575   1.627   4.337
   93    HA   ARG  14           HA       ARG  14   2.485   2.502   2.657
   94   1HB   ARG  14          2HB       ARG  14   2.892   3.042   5.613
   95   2HB   ARG  14          1HB       ARG  14   1.373   3.274   4.749
   96   1HG   ARG  14          2HG       ARG  14   1.577   0.819   4.037
   97   2HG   ARG  14          1HG       ARG  14   2.846   0.682   5.255
   98   1HD   ARG  14          2HD       ARG  14   0.802   0.032   6.346
   99   2HD   ARG  14          1HD       ARG  14   1.189   1.643   6.930
  100    HE   ARG  14           HE       ARG  14  -0.445   2.078   4.717
  101   1HH1  ARG  14          1HH2      ARG  14  -0.619   0.237   7.635
  102   2HH1  ARG  14          2HH2      ARG  14  -2.336   0.411   7.795
  103   1HH2  ARG  14          1HH1      ARG  14  -2.684   2.303   4.911
  104   2HH2  ARG  14          2HH1      ARG  14  -3.501   1.580   6.256
  105    H    SER  15           H        SER  15   5.074   4.329   4.174
  106    HA   SER  15           HA       SER  15   3.910   6.933   3.986
  107   1HB   SER  15          2HB       SER  15   6.049   6.361   5.204
  108   2HB   SER  15          1HB       SER  15   6.842   6.243   3.636
  109    HG   SER  15           HG       SER  15   6.760   8.354   3.432
  110    H    ALA  16           H        ALA  16   5.991   5.140   1.703
  111    HA   ALA  16           HA       ALA  16   5.821   7.184  -0.344
  112   1HB   ALA  16          1HB       ALA  16   6.761   4.325  -0.264
  113   2HB   ALA  16          2HB       ALA  16   7.695   5.788  -0.575
  114   3HB   ALA  16          3HB       ALA  16   6.598   5.163  -1.807
  115    H    PHE  17           H        PHE  17   4.146   4.097   0.253
  116    HA   PHE  17           HA       PHE  17   2.578   4.049  -2.115
  117   1HB   PHE  17          2HB       PHE  17   2.798   2.216  -0.348
  118   2HB   PHE  17          1HB       PHE  17   1.613   3.119   0.598
  119    HD1  PHE  17           1HD      PHE  17   2.144   1.719  -2.840
  120    HD2  PHE  17           2HD      PHE  17  -0.672   2.762   0.233
  121    HE1  PHE  17           1HE      PHE  17   0.311   0.726  -4.183
  122    HE2  PHE  17           2HE      PHE  17  -2.504   1.768  -1.110
  123    HZ   PHE  17           HZ       PHE  17  -2.013   0.750  -3.317
  124    H    ALA  18           H        ALA  18   2.077   5.706   0.979
  125    HA   ALA  18           HA       ALA  18  -0.583   6.599   0.554
  126   1HB   ALA  18          1HB       ALA  18   1.669   8.095   1.936
  127   2HB   ALA  18          2HB       ALA  18   0.666   6.859   2.696
  128   3HB   ALA  18          3HB       ALA  18  -0.058   8.376   2.159
  129    H    ASN  19           H        ASN  19   2.326   7.431  -1.062
  130    HA   ASN  19           HA       ASN  19   1.813  10.108  -1.853
  131   1HB   ASN  19          2HB       ASN  19   3.944   8.821  -2.242
  132   2HB   ASN  19          1HB       ASN  19   3.123   7.963  -3.546
  133   1HD2  ASN  19          1HD2      ASN  19   3.927  11.310  -2.484
  134   2HD2  ASN  19          2HD2      ASN  19   4.028  11.942  -4.056
  135    H    LEU  20           H        LEU  20   0.623   7.043  -3.188
  136    HA   LEU  20           HA       LEU  20  -0.548   8.078  -5.576
  137   1HB   LEU  20          2HB       LEU  20  -1.588   5.798  -3.868
  138   2HB   LEU  20          1HB       LEU  20  -1.892   6.050  -5.587
  139    HG   LEU  20           HG       LEU  20   0.819   5.532  -4.328
  140   1HD1  LEU  20          1HD1      LEU  20  -0.369   3.479  -4.338
  141   2HD1  LEU  20          2HD1      LEU  20   0.588   3.441  -5.819
  142   3HD1  LEU  20          3HD1      LEU  20  -1.130   3.833  -5.889
  143   1HD2  LEU  20          1HD2      LEU  20   1.318   5.208  -6.890
  144   2HD2  LEU  20          2HD2      LEU  20   1.297   6.836  -6.214
  145   3HD2  LEU  20          3HD2      LEU  20  -0.100   6.234  -7.105
  146    HA   PRO  21           HA       PRO  21  -4.007  10.592  -4.488
  147   1HB   PRO  21          2HB       PRO  21  -5.586   8.539  -6.027
  148   2HB   PRO  21          1HB       PRO  21  -5.698  10.312  -6.084
  149   1HG   PRO  21          2HG       PRO  21  -4.395   9.026  -7.974
  150   2HG   PRO  21          1HG       PRO  21  -3.731  10.525  -7.296
  151   1HD   PRO  21          2HD       PRO  21  -2.833   7.707  -6.854
  152   2HD   PRO  21          1HD       PRO  21  -1.880   9.207  -6.858
  153    H    LEU  22           H        LEU  22  -5.553  10.656  -2.856
  154    HA   LEU  22           HA       LEU  22  -5.571   8.638  -0.873
  155   1HB   LEU  22          2HB       LEU  22  -6.181  11.031  -0.512
  156   2HB   LEU  22          1HB       LEU  22  -7.703  10.739  -1.353
  157    HG   LEU  22           HG       LEU  22  -8.202   8.932   0.327
  158   1HD1  LEU  22          1HD1      LEU  22  -6.179   8.276   1.271
  159   2HD1  LEU  22          2HD1      LEU  22  -6.783   9.368   2.516
  160   3HD1  LEU  22          3HD1      LEU  22  -5.570   9.928   1.365
  161   1HD2  LEU  22          1HD2      LEU  22  -7.749  11.778   1.264
  162   2HD2  LEU  22          2HD2      LEU  22  -8.624  10.580   2.219
  163   3HD2  LEU  22          3HD2      LEU  22  -9.245  11.077   0.645
  164    H    TRP  23           H        TRP  23  -7.863   9.218  -3.530
  165    HA   TRP  23           HA       TRP  23  -9.678   7.127  -2.606
  166   1HB   TRP  23          2HB       TRP  23 -10.932   7.592  -4.623
  167   2HB   TRP  23          1HB       TRP  23 -10.405   9.130  -3.938
  168    HD1  TRP  23           HD       TRP  23  -8.830  10.613  -5.348
  169    HE1  TRP  23           1HE      TRP  23  -7.789  10.406  -7.697
  170    HE3  TRP  23           3HE      TRP  23  -9.965   5.745  -6.387
  171    HZ2  TRP  23           2HZ      TRP  23  -7.478   8.434  -9.747
  172    HZ3  TRP  23           3HZ      TRP  23  -9.286   4.728  -8.542
  173    HH2  TRP  23           HH       TRP  23  -8.045   6.064 -10.221
  174    H    ARG  24           H        ARG  24  -7.004   7.333  -4.893
  175    HA   ARG  24           HA       ARG  24  -7.566   4.843  -6.239
  176   1HB   ARG  24          2HB       ARG  24  -6.090   6.621  -7.171
  177   2HB   ARG  24          1HB       ARG  24  -4.902   6.253  -5.919
  178   1HG   ARG  24          2HG       ARG  24  -4.707   3.954  -6.736
  179   2HG   ARG  24          1HG       ARG  24  -5.946   4.261  -7.953
  180   1HD   ARG  24          2HD       ARG  24  -4.312   4.934  -9.343
  181   2HD   ARG  24          1HD       ARG  24  -4.056   6.319  -8.278
  182    HE   ARG  24           HE       ARG  24  -2.611   4.317  -7.054
  183   1HH1  ARG  24          1HH2      ARG  24  -2.838   5.589 -10.249
  184   2HH1  ARG  24          2HH2      ARG  24  -1.174   5.294 -10.629
  185   1HH2  ARG  24          1HH1      ARG  24  -0.434   3.925  -7.530
  186   2HH2  ARG  24          2HH1      ARG  24   0.187   4.352  -9.089
  187    H    GLN  25           H        GLN  25  -5.271   5.662  -3.601
  188    HA   GLN  25           HA       GLN  25  -4.080   3.167  -3.261
  189   1HB   GLN  25          2HB       GLN  25  -3.932   3.756  -0.809
  190   2HB   GLN  25          1HB       GLN  25  -3.357   5.013  -1.905
  191   1HG   GLN  25          2HG       GLN  25  -5.579   6.128  -1.761
  192   2HG   GLN  25          1HG       GLN  25  -6.095   4.905  -0.598
  193   1HE2  GLN  25          1HE2      GLN  25  -5.405   5.130   1.576
  194   2HE2  GLN  25          2HE2      GLN  25  -4.416   6.398   2.118
  195    H    GLN  26           H        GLN  26  -7.290   4.187  -2.077
  196    HA   GLN  26           HA       GLN  26  -7.837   1.713  -0.694
  197   1HB   GLN  26          2HB       GLN  26  -9.694   3.780  -1.907
  198   2HB   GLN  26          1HB       GLN  26 -10.245   2.416  -0.935
  199   1HG   GLN  26          2HG       GLN  26  -8.873   3.197   0.956
  200   2HG   GLN  26          1HG       GLN  26  -8.304   4.556  -0.014
  201   1HE2  GLN  26          1HE2      GLN  26  -9.720   5.019   2.416
  202   2HE2  GLN  26          2HE2      GLN  26 -11.233   5.696   2.045
  203    H    ASN  27           H        ASN  27  -8.333   2.853  -4.001
  204    HA   ASN  27           HA       ASN  27  -9.874   0.656  -4.965
  205   1HB   ASN  27          2HB       ASN  27  -9.448   2.831  -6.175
  206   2HB   ASN  27          1HB       ASN  27  -7.819   2.251  -6.525
  207   1HD2  ASN  27          1HD2      ASN  27  -9.602  -0.519  -6.512
  208   2HD2  ASN  27          2HD2      ASN  27 -10.040  -0.597  -8.150
  209    H    LEU  28           H        LEU  28  -6.337   1.207  -5.092
  210    HA   LEU  28           HA       LEU  28  -5.753  -1.394  -6.191
  211   1HB   LEU  28          2HB       LEU  28  -3.920   0.395  -4.570
  212   2HB   LEU  28          1HB       LEU  28  -3.434  -0.874  -5.693
  213    HG   LEU  28           HG       LEU  28  -4.892   1.691  -6.395
  214   1HD1  LEU  28          1HD1      LEU  28  -2.448   1.891  -5.932
  215   2HD1  LEU  28          2HD1      LEU  28  -2.839   2.211  -7.622
  216   3HD1  LEU  28          3HD1      LEU  28  -2.142   0.660  -7.158
  217   1HD2  LEU  28          1HD2      LEU  28  -5.756   0.125  -7.919
  218   2HD2  LEU  28          2HD2      LEU  28  -4.262  -0.811  -7.951
  219   3HD2  LEU  28          3HD2      LEU  28  -4.345   0.746  -8.776
  220    H    ARG  29           H        ARG  29  -6.081  -0.168  -2.893
  221    HA   ARG  29           HA       ARG  29  -4.885  -2.511  -1.669
  222   1HB   ARG  29          2HB       ARG  29  -6.517  -0.200  -0.633
  223   2HB   ARG  29          1HB       ARG  29  -6.082  -1.553   0.413
  224   1HG   ARG  29          2HG       ARG  29  -3.697  -1.201  -0.109
  225   2HG   ARG  29          1HG       ARG  29  -4.124   0.146  -1.164
  226   1HD   ARG  29          2HD       ARG  29  -4.732   0.008   1.804
  227   2HD   ARG  29          1HD       ARG  29  -3.409   0.921   1.085
  228    HE   ARG  29           HE       ARG  29  -5.665   1.833  -0.251
  229   1HH1  ARG  29          1HH2      ARG  29  -4.650   1.492   3.029
  230   2HH1  ARG  29          2HH2      ARG  29  -5.562   2.853   3.589
  231   1HH2  ARG  29          1HH1      ARG  29  -6.857   3.609   0.463
  232   2HH2  ARG  29          2HH1      ARG  29  -6.812   4.052   2.136
  233    H    ARG  30           H        ARG  30  -8.289  -1.458  -2.134
  234    HA   ARG  30           HA       ARG  30  -9.393  -3.807  -0.892
  235   1HB   ARG  30          2HB       ARG  30 -10.397  -1.465  -2.211
  236   2HB   ARG  30          1HB       ARG  30 -11.184  -2.884  -2.905
  237   1HG   ARG  30          2HG       ARG  30 -11.907  -3.637  -0.730
  238   2HG   ARG  30          1HG       ARG  30 -10.934  -2.406   0.075
  239   1HD   ARG  30          2HD       ARG  30 -13.055  -1.609  -1.907
  240   2HD   ARG  30          1HD       ARG  30 -13.483  -1.962  -0.235
  241    HE   ARG  30           HE       ARG  30 -11.366  -0.185  -0.019
  242   1HH1  ARG  30          1HH2      ARG  30 -14.400  -0.279  -1.656
  243   2HH1  ARG  30          2HH2      ARG  30 -14.644   1.434  -1.579
  244   1HH2  ARG  30          1HH1      ARG  30 -11.667   2.049   0.089
  245   2HH2  ARG  30          2HH1      ARG  30 -13.096   2.752  -0.590
  246    H    GLU  31           H        GLU  31  -8.324  -3.072  -4.172
  247    HA   GLU  31           HA       GLU  31  -9.432  -5.316  -5.524
  248   1HB   GLU  31          2HB       GLU  31  -8.200  -3.381  -6.593
  249   2HB   GLU  31          1HB       GLU  31  -6.695  -4.101  -6.023
  250   1HG   GLU  31          2HG       GLU  31  -7.032  -4.830  -8.298
  251   2HG   GLU  31          1HG       GLU  31  -7.343  -6.212  -7.247
  252    H    ARG  32           H        ARG  32  -6.808  -5.049  -3.249
  253    HA   ARG  32           HA       ARG  32  -6.040  -7.882  -3.789
  254   1HB   ARG  32          2HB       ARG  32  -4.538  -5.754  -2.241
  255   2HB   ARG  32          1HB       ARG  32  -3.948  -7.369  -2.634
  256   1HG   ARG  32          2HG       ARG  32  -4.354  -6.748  -5.089
  257   2HG   ARG  32          1HG       ARG  32  -4.523  -5.084  -4.525
  258   1HD   ARG  32          2HD       ARG  32  -2.227  -5.311  -5.120
  259   2HD   ARG  32          1HD       ARG  32  -2.263  -5.409  -3.360
  260    HE   ARG  32           HE       ARG  32  -2.462  -8.048  -4.147
  261   1HH1  ARG  32          1HH2      ARG  32  -0.377  -5.402  -4.878
  262   2HH1  ARG  32          2HH2      ARG  32   1.013  -6.399  -5.149
  263   1HH2  ARG  32          1HH1      ARG  32  -0.659  -9.366  -4.497
  264   2HH2  ARG  32          2HH1      ARG  32   0.853  -8.643  -4.932
  265    H    GLY  33           H        GLY  33  -7.790  -5.963  -1.593
  266   1HA   GLY  33          2HA       GLY  33  -8.912  -6.656   0.371
  267   2HA   GLY  33          1HA       GLY  33  -8.171  -8.245   0.177
  268    H    LEU  34           H        LEU  34  -5.827  -5.818   0.017
  269    HA   LEU  34           HA       LEU  34  -5.129  -6.303   2.885
  270   1HB   LEU  34          2HB       LEU  34  -3.231  -5.498   0.668
  271   2HB   LEU  34          1HB       LEU  34  -2.814  -6.078   2.281
  272    HG   LEU  34           HG       LEU  34  -4.200  -7.671   0.104
  273   1HD1  LEU  34          1HD1      LEU  34  -1.512  -8.110   1.432
  274   2HD1  LEU  34          2HD1      LEU  34  -1.710  -7.272  -0.107
  275   3HD1  LEU  34          3HD1      LEU  34  -2.168  -8.969   0.039
  276   1HD2  LEU  34          1HD2      LEU  34  -3.635  -8.211   3.016
  277   2HD2  LEU  34          2HD2      LEU  34  -3.733  -9.541   1.863
  278   3HD2  LEU  34          3HD2      LEU  34  -5.124  -8.485   2.113
  279    H    PHE  35           H        PHE  35  -4.707  -4.524   4.186
  280    HA   PHE  35           HA       PHE  35  -4.175  -1.883   3.146
  281   1HB   PHE  35          2HB       PHE  35  -6.276  -0.807   3.624
  282   2HB   PHE  35          1HB       PHE  35  -6.628  -2.190   2.588
  283    HD1  PHE  35           1HD      PHE  35  -6.994  -0.745   5.929
  284    HD2  PHE  35           2HD      PHE  35  -7.601  -4.263   3.539
  285    HE1  PHE  35           1HE      PHE  35  -8.506  -1.666   7.666
  286    HE2  PHE  35           2HE      PHE  35  -9.113  -5.183   5.276
  287    HZ   PHE  35           HZ       PHE  35  -9.564  -3.885   7.340
  Start of MODEL   18
    1   1H    LEU   1          1HT       LEU   1   0.748  -0.568  11.666
    2   2H    LEU   1          2HT       LEU   1   1.916  -1.788  11.859
    3   3H    LEU   1          3HT       LEU   1   0.498  -1.810  12.795
    4    HA   LEU   1           HA       LEU   1  -0.708  -2.786  11.209
    5   1HB   LEU   1          2HB       LEU   1  -0.529  -0.592   9.921
    6   2HB   LEU   1          1HB       LEU   1   0.845  -1.303   9.076
    7    HG   LEU   1           HG       LEU   1  -0.824  -3.314   8.693
    8   1HD1  LEU   1          1HD1      LEU   1  -2.630  -2.413  10.080
    9   2HD1  LEU   1          2HD1      LEU   1  -3.150  -2.471   8.395
   10   3HD1  LEU   1          3HD1      LEU   1  -2.662  -0.936   9.115
   11   1HD2  LEU   1          1HD2      LEU   1  -1.582  -2.176   6.584
   12   2HD2  LEU   1          2HD2      LEU   1   0.149  -2.021   6.879
   13   3HD2  LEU   1          3HD2      LEU   1  -0.928  -0.666   7.215
   14    H    SER   2           H        SER   2   1.180  -2.936   8.516
   15    HA   SER   2           HA       SER   2   2.914  -5.125   9.533
   16   1HB   SER   2          2HB       SER   2   2.089  -6.738   8.021
   17   2HB   SER   2          1HB       SER   2   0.630  -5.964   8.630
   18    HG   SER   2           HG       SER   2   1.994  -5.127   6.288
   19    H    ASP   3           H        ASP   3   4.320  -3.094   9.033
   20    HA   ASP   3           HA       ASP   3   4.786  -2.230   6.368
   21   1HB   ASP   3          2HB       ASP   3   6.950  -1.439   7.174
   22   2HB   ASP   3          1HB       ASP   3   5.731  -1.134   8.411
   23    H    GLU   4           H        GLU   4   5.914  -5.060   8.135
   24    HA   GLU   4           HA       GLU   4   7.906  -5.884   6.227
   25   1HB   GLU   4          2HB       GLU   4   7.583  -6.763   8.610
   26   2HB   GLU   4          1HB       GLU   4   6.257  -7.731   7.967
   27   1HG   GLU   4          2HG       GLU   4   7.829  -8.724   6.306
   28   2HG   GLU   4          1HG       GLU   4   9.148  -7.825   7.058
   29    H    ASP   5           H        ASP   5   4.501  -6.863   6.701
   30    HA   ASP   5           HA       ASP   5   4.473  -8.457   4.266
   31   1HB   ASP   5          2HB       ASP   5   2.133  -7.379   5.869
   32   2HB   ASP   5          1HB       ASP   5   2.087  -8.705   4.706
   33    H    PHE   6           H        PHE   6   3.055  -5.315   5.206
   34    HA   PHE   6           HA       PHE   6   1.866  -4.634   2.750
   35   1HB   PHE   6          2HB       PHE   6   1.588  -3.279   4.779
   36   2HB   PHE   6          1HB       PHE   6   3.288  -2.812   4.716
   37    HD1  PHE   6           1HD      PHE   6  -0.044  -2.270   3.328
   38    HD2  PHE   6           2HD      PHE   6   4.134  -1.389   2.856
   39    HE1  PHE   6           1HE      PHE   6  -0.611  -0.406   1.794
   40    HE2  PHE   6           2HE      PHE   6   3.566   0.476   1.321
   41    HZ   PHE   6           HZ       PHE   6   1.194   0.968   0.791
   42    H    ARG   7           H        ARG   7   5.132  -3.627   3.840
   43    HA   ARG   7           HA       ARG   7   5.988  -2.430   1.463
   44   1HB   ARG   7          2HB       ARG   7   7.262  -2.468   3.616
   45   2HB   ARG   7          1HB       ARG   7   7.706  -4.143   3.286
   46   1HG   ARG   7          2HG       ARG   7   8.773  -3.429   1.167
   47   2HG   ARG   7          1HG       ARG   7   8.361  -1.754   1.535
   48   1HD   ARG   7          2HD       ARG   7  10.101  -3.543   3.258
   49   2HD   ARG   7          1HD       ARG   7  10.694  -2.280   2.183
   50    HE   ARG   7           HE       ARG   7   8.881  -0.968   3.826
   51   1HH1  ARG   7          1HH2      ARG   7  11.639  -2.993   4.252
   52   2HH1  ARG   7          2HH2      ARG   7  12.110  -2.259   5.748
   53   1HH2  ARG   7          1HH1      ARG   7   9.480  -0.001   5.774
   54   2HH2  ARG   7          2HH1      ARG   7  10.888  -0.565   6.610
   55    H    ALA   8           H        ALA   8   5.907  -5.875   2.275
   56    HA   ALA   8           HA       ALA   8   7.342  -6.753  -0.067
   57   1HB   ALA   8          1HB       ALA   8   7.014  -8.139   1.984
   58   2HB   ALA   8          2HB       ALA   8   6.515  -8.977   0.514
   59   3HB   ALA   8          3HB       ALA   8   5.302  -8.274   1.584
   60    H    VAL   9           H        VAL   9   3.970  -5.965   0.558
   61    HA   VAL   9           HA       VAL   9   2.919  -7.285  -1.784
   62    HB   VAL   9           HB       VAL   9   1.817  -5.030  -0.092
   63   1HG1  VAL   9          1HG1      VAL   9  -0.369  -5.767  -1.194
   64   2HG1  VAL   9          2HG1      VAL   9   0.627  -6.605  -2.385
   65   3HG1  VAL   9          3HG1      VAL   9   0.739  -4.853  -2.217
   66   1HG2  VAL   9          1HG2      VAL   9   0.925  -7.915  -0.240
   67   2HG2  VAL   9          2HG2      VAL   9   0.563  -6.725   1.011
   68   3HG2  VAL   9          3HG2      VAL   9   2.189  -7.393   0.873
   69   1HN   PF5  10          H         PF5  10   3.633  -3.810  -1.164
   70    HA   PF5  10           HA       PF5  10   3.382  -3.379  -4.098
   71   1HB   PF5  10          1HB       PF5  10   3.134  -1.034  -3.575
   72   2HB   PF5  10          2HB       PF5  10   3.634  -1.308  -1.901
   73    H    GLY  11           H        GLY  11   5.774  -3.784  -1.713
   74   1HA   GLY  11          2HA       GLY  11   8.117  -3.837  -2.049
   75   2HA   GLY  11          1HA       GLY  11   7.858  -3.230  -3.685
   76    H    MET  12           H        MET  12   6.443  -1.574  -0.956
   77    HA   MET  12           HA       MET  12   8.645   0.349  -0.733
   78   1HB   MET  12          2HB       MET  12   7.431   2.271  -1.559
   79   2HB   MET  12          1HB       MET  12   7.406   1.038  -2.821
   80   1HG   MET  12          2HG       MET  12   5.166   0.343  -1.485
   81   2HG   MET  12          1HG       MET  12   5.182   2.073  -1.140
   82   1HE   MET  12          1HE       MET  12   4.982   3.839  -4.443
   83   2HE   MET  12          2HE       MET  12   6.481   3.450  -3.605
   84   3HE   MET  12          3HE       MET  12   5.053   3.896  -2.676
   85    H    THR  13           H        THR  13   8.224   1.919   0.994
   86    HA   THR  13           HA       THR  13   6.689   0.761   3.164
   87    HB   THR  13           HB       THR  13   7.320   2.923   4.337
   88    HG1  THR  13           1HG      THR  13   8.029   4.475   3.144
   89   1HG2  THR  13          1HG2      THR  13   9.671   2.335   4.504
   90   2HG2  THR  13          2HG2      THR  13   9.599   1.473   2.967
   91   3HG2  THR  13          3HG2      THR  13   8.725   0.852   4.367
   92    H    ARG  14           H        ARG  14   4.840   1.748   4.212
   93    HA   ARG  14           HA       ARG  14   2.766   2.594   2.502
   94   1HB   ARG  14          2HB       ARG  14   3.151   3.125   5.462
   95   2HB   ARG  14          1HB       ARG  14   1.644   3.414   4.592
   96   1HG   ARG  14          2HG       ARG  14   1.646   1.004   3.899
   97   2HG   ARG  14          1HG       ARG  14   3.056   0.751   4.928
   98   1HD   ARG  14          2HD       ARG  14   0.345   1.745   5.868
   99   2HD   ARG  14          1HD       ARG  14   0.997   0.133   6.133
  100    HE   ARG  14           HE       ARG  14   2.932   1.831   7.183
  101   1HH1  ARG  14          1HH2      ARG  14  -0.478   1.409   7.561
  102   2HH1  ARG  14          2HH2      ARG  14  -0.483   1.882   9.228
  103   1HH2  ARG  14          1HH1      ARG  14   2.934   2.457   9.354
  104   2HH2  ARG  14          2HH1      ARG  14   1.447   2.473  10.240
  105    H    SER  15           H        SER  15   5.318   4.461   4.032
  106    HA   SER  15           HA       SER  15   4.151   7.054   3.802
  107   1HB   SER  15          2HB       SER  15   6.294   6.510   5.021
  108   2HB   SER  15          1HB       SER  15   7.083   6.369   3.453
  109    HG   SER  15           HG       SER  15   6.255   8.555   3.070
  110    H    ALA  16           H        ALA  16   6.170   5.195   1.524
  111    HA   ALA  16           HA       ALA  16   6.016   7.217  -0.551
  112   1HB   ALA  16          1HB       ALA  16   6.836   5.292  -2.012
  113   2HB   ALA  16          2HB       ALA  16   6.811   4.296  -0.556
  114   3HB   ALA  16          3HB       ALA  16   7.870   5.704  -0.645
  115    H    PHE  17           H        PHE  17   4.308   4.161   0.106
  116    HA   PHE  17           HA       PHE  17   2.698   4.128  -2.240
  117   1HB   PHE  17          2HB       PHE  17   2.945   2.293  -0.467
  118   2HB   PHE  17          1HB       PHE  17   1.763   3.196   0.482
  119    HD1  PHE  17           1HD      PHE  17   2.280   1.808  -2.964
  120    HD2  PHE  17           2HD      PHE  17  -0.521   2.819   0.133
  121    HE1  PHE  17           1HE      PHE  17   0.443   0.809  -4.298
  122    HE2  PHE  17           2HE      PHE  17  -2.357   1.821  -1.203
  123    HZ   PHE  17           HZ       PHE  17  -1.874   0.817  -3.418
  124    H    ALA  18           H        ALA  18   2.313   5.819   0.843
  125    HA   ALA  18           HA       ALA  18  -0.364   6.715   0.499
  126   1HB   ALA  18          1HB       ALA  18   1.897   8.273   1.787
  127   2HB   ALA  18          2HB       ALA  18   1.029   6.965   2.588
  128   3HB   ALA  18          3HB       ALA  18   0.173   8.434   2.120
  129    H    ASN  19           H        ASN  19   2.507   7.531  -1.195
  130    HA   ASN  19           HA       ASN  19   1.980  10.206  -1.982
  131   1HB   ASN  19          2HB       ASN  19   3.311   7.978  -3.554
  132   2HB   ASN  19          1HB       ASN  19   3.412   9.695  -3.944
  133   1HD2  ASN  19          1HD2      ASN  19   5.760   8.177  -3.305
  134   2HD2  ASN  19          2HD2      ASN  19   6.374   8.741  -1.827
  135    H    LEU  20           H        LEU  20   0.728   7.144  -3.252
  136    HA   LEU  20           HA       LEU  20  -0.497   8.190  -5.618
  137   1HB   LEU  20          2HB       LEU  20  -1.436   5.873  -3.900
  138   2HB   LEU  20          1HB       LEU  20  -1.843   6.150  -5.594
  139    HG   LEU  20           HG       LEU  20   0.959   5.692  -4.526
  140   1HD1  LEU  20          1HD1      LEU  20  -1.067   3.905  -5.873
  141   2HD1  LEU  20          2HD1      LEU  20  -0.156   3.605  -4.394
  142   3HD1  LEU  20          3HD1      LEU  20   0.660   3.563  -5.957
  143   1HD2  LEU  20          1HD2      LEU  20  -0.203   6.310  -7.230
  144   2HD2  LEU  20          2HD2      LEU  20   1.247   5.313  -7.118
  145   3HD2  LEU  20          3HD2      LEU  20   1.254   6.954  -6.473
  146    HA   PRO  21           HA       PRO  21  -3.953  10.651  -4.399
  147   1HB   PRO  21          2HB       PRO  21  -5.548   8.610  -5.937
  148   2HB   PRO  21          1HB       PRO  21  -5.676  10.382  -5.962
  149   1HG   PRO  21          2HG       PRO  21  -4.406   9.138  -7.902
  150   2HG   PRO  21          1HG       PRO  21  -3.741  10.632  -7.216
  151   1HD   PRO  21          2HD       PRO  21  -2.807   7.816  -6.838
  152   2HD   PRO  21          1HD       PRO  21  -1.867   9.325  -6.844
  153    H    LEU  22           H        LEU  22  -5.377  10.672  -2.678
  154    HA   LEU  22           HA       LEU  22  -5.350   8.606  -0.760
  155   1HB   LEU  22          2HB       LEU  22  -5.950  10.976  -0.304
  156   2HB   LEU  22          1HB       LEU  22  -7.489  10.723  -1.127
  157    HG   LEU  22           HG       LEU  22  -6.890   8.707   0.935
  158   1HD1  LEU  22          1HD1      LEU  22  -5.928  10.561   2.133
  159   2HD1  LEU  22          2HD1      LEU  22  -7.553  10.322   2.776
  160   3HD1  LEU  22          3HD1      LEU  22  -7.238  11.633   1.638
  161   1HD2  LEU  22          1HD2      LEU  22  -9.222   8.944   1.371
  162   2HD2  LEU  22          2HD2      LEU  22  -9.060   9.139  -0.375
  163   3HD2  LEU  22          3HD2      LEU  22  -9.269  10.555   0.655
  164    H    TRP  23           H        TRP  23  -7.720   9.232  -3.334
  165    HA   TRP  23           HA       TRP  23  -9.523   7.144  -2.392
  166   1HB   TRP  23          2HB       TRP  23 -10.811   7.625  -4.385
  167   2HB   TRP  23          1HB       TRP  23 -10.265   9.155  -3.698
  168    HD1  TRP  23           HD       TRP  23  -8.703  10.640  -5.122
  169    HE1  TRP  23           1HE      TRP  23  -7.705  10.445  -7.491
  170    HE3  TRP  23           3HE      TRP  23  -9.893   5.789  -6.183
  171    HZ2  TRP  23           2HZ      TRP  23  -7.447   8.489  -9.563
  172    HZ3  TRP  23           3HZ      TRP  23  -9.260   4.786  -8.360
  173    HH2  TRP  23           HH       TRP  23  -8.040   6.129 -10.049
  174    H    ARG  24           H        ARG  24  -6.883   7.335  -4.715
  175    HA   ARG  24           HA       ARG  24  -7.492   4.872  -6.085
  176   1HB   ARG  24          2HB       ARG  24  -5.989   6.636  -6.999
  177   2HB   ARG  24          1HB       ARG  24  -4.802   6.227  -5.759
  178   1HG   ARG  24          2HG       ARG  24  -4.643   3.943  -6.614
  179   2HG   ARG  24          1HG       ARG  24  -5.899   4.278  -7.807
  180   1HD   ARG  24          2HD       ARG  24  -4.284   4.953  -9.219
  181   2HD   ARG  24          1HD       ARG  24  -3.985   6.316  -8.138
  182    HE   ARG  24           HE       ARG  24  -2.548   4.276  -6.972
  183   1HH1  ARG  24          1HH2      ARG  24  -2.819   5.590 -10.146
  184   2HH1  ARG  24          2HH2      ARG  24  -1.169   5.270 -10.564
  185   1HH2  ARG  24          1HH1      ARG  24  -0.390   3.853  -7.498
  186   2HH2  ARG  24          2HH1      ARG  24   0.207   4.288  -9.064
  187    H    GLN  25           H        GLN  25  -5.221   5.618  -3.411
  188    HA   GLN  25           HA       GLN  25  -4.034   3.111  -3.124
  189   1HB   GLN  25          2HB       GLN  25  -3.998   3.655  -0.617
  190   2HB   GLN  25          1HB       GLN  25  -3.264   4.842  -1.697
  191   1HG   GLN  25          2HG       GLN  25  -5.292   6.204  -1.652
  192   2HG   GLN  25          1HG       GLN  25  -6.115   4.992  -0.668
  193   1HE2  GLN  25          1HE2      GLN  25  -3.555   7.451  -0.617
  194   2HE2  GLN  25          2HE2      GLN  25  -3.416   7.521   1.073
  195    H    GLN  26           H        GLN  26  -7.244   4.118  -1.920
  196    HA   GLN  26           HA       GLN  26  -7.808   1.616  -0.600
  197   1HB   GLN  26          2HB       GLN  26  -9.673   3.693  -1.790
  198   2HB   GLN  26          1HB       GLN  26 -10.203   2.333  -0.800
  199   1HG   GLN  26          2HG       GLN  26  -8.808   3.133   1.066
  200   2HG   GLN  26          1HG       GLN  26  -8.260   4.488   0.080
  201   1HE2  GLN  26          1HE2      GLN  26  -9.627   4.994   2.513
  202   2HE2  GLN  26          2HE2      GLN  26 -11.154   5.646   2.164
  203    H    ASN  27           H        ASN  27  -8.260   2.822  -3.886
  204    HA   ASN  27           HA       ASN  27  -9.806   0.646  -4.904
  205   1HB   ASN  27          2HB       ASN  27  -9.377   2.846  -6.068
  206   2HB   ASN  27          1HB       ASN  27  -7.744   2.280  -6.417
  207   1HD2  ASN  27          1HD2      ASN  27 -11.187   1.322  -6.893
  208   2HD2  ASN  27          2HD2      ASN  27 -10.911   0.510  -8.359
  209    H    LEU  28           H        LEU  28  -6.269   1.205  -5.002
  210    HA   LEU  28           HA       LEU  28  -5.689  -1.398  -6.114
  211   1HB   LEU  28          2HB       LEU  28  -3.847   0.414  -4.530
  212   2HB   LEU  28          1HB       LEU  28  -3.365  -0.867  -5.641
  213    HG   LEU  28           HG       LEU  28  -4.859   1.669  -6.373
  214   1HD1  LEU  28          1HD1      LEU  28  -2.776   2.114  -7.682
  215   2HD1  LEU  28          2HD1      LEU  28  -2.054   0.674  -6.965
  216   3HD1  LEU  28          3HD1      LEU  28  -2.483   2.047  -5.944
  217   1HD2  LEU  28          1HD2      LEU  28  -4.162  -0.837  -7.893
  218   2HD2  LEU  28          2HD2      LEU  28  -4.274   0.708  -8.738
  219   3HD2  LEU  28          3HD2      LEU  28  -5.677   0.065  -7.883
  220    H    ARG  29           H        ARG  29  -5.978  -0.149  -2.821
  221    HA   ARG  29           HA       ARG  29  -4.818  -2.543  -1.628
  222   1HB   ARG  29          2HB       ARG  29  -6.300  -0.165  -0.502
  223   2HB   ARG  29          1HB       ARG  29  -5.782  -1.517   0.508
  224   1HG   ARG  29          2HG       ARG  29  -3.454  -1.184  -0.200
  225   2HG   ARG  29          1HG       ARG  29  -3.951   0.134  -1.260
  226   1HD   ARG  29          2HD       ARG  29  -4.272   0.082   1.756
  227   2HD   ARG  29          1HD       ARG  29  -3.067   1.011   0.867
  228    HE   ARG  29           HE       ARG  29  -5.479   1.821  -0.234
  229   1HH1  ARG  29          1HH2      ARG  29  -4.123   1.587   2.931
  230   2HH1  ARG  29          2HH2      ARG  29  -5.018   2.932   3.555
  231   1HH2  ARG  29          1HH1      ARG  29  -6.651   3.574   0.564
  232   2HH2  ARG  29          2HH1      ARG  29  -6.450   4.057   2.215
  233    H    ARG  30           H        ARG  30  -8.160  -1.299  -2.011
  234    HA   ARG  30           HA       ARG  30  -9.416  -3.459  -0.626
  235   1HB   ARG  30          2HB       ARG  30 -10.376  -1.630  -2.836
  236   2HB   ARG  30          1HB       ARG  30 -11.416  -2.864  -2.122
  237   1HG   ARG  30          2HG       ARG  30 -11.030  -1.880   0.118
  238   2HG   ARG  30          1HG       ARG  30 -10.022  -0.631  -0.614
  239   1HD   ARG  30          2HD       ARG  30 -12.961  -1.112  -1.190
  240   2HD   ARG  30          1HD       ARG  30 -12.291   0.228  -0.261
  241    HE   ARG  30           HE       ARG  30 -10.993   0.400  -2.705
  242   1HH1  ARG  30          1HH2      ARG  30 -14.260   0.213  -1.616
  243   2HH1  ARG  30          2HH2      ARG  30 -14.890   1.153  -2.927
  244   1HH2  ARG  30          1HH1      ARG  30 -11.795   1.627  -4.421
  245   2HH2  ARG  30          2HH1      ARG  30 -13.493   1.954  -4.515
  246    H    GLU  31           H        GLU  31  -8.498  -3.072  -4.044
  247    HA   GLU  31           HA       GLU  31  -9.577  -5.579  -4.940
  248   1HB   GLU  31          2HB       GLU  31  -7.628  -3.576  -5.962
  249   2HB   GLU  31          1HB       GLU  31  -7.486  -5.205  -6.622
  250   1HG   GLU  31          2HG       GLU  31  -9.024  -3.729  -7.942
  251   2HG   GLU  31          1HG       GLU  31  -9.812  -5.179  -7.320
  252    H    ARG  32           H        ARG  32  -6.931  -4.810  -2.928
  253    HA   ARG  32           HA       ARG  32  -5.431  -7.268  -3.578
  254   1HB   ARG  32          2HB       ARG  32  -4.597  -4.819  -2.769
  255   2HB   ARG  32          1HB       ARG  32  -4.670  -5.651  -1.215
  256   1HG   ARG  32          2HG       ARG  32  -2.540  -6.262  -1.857
  257   2HG   ARG  32          1HG       ARG  32  -3.449  -7.573  -2.610
  258   1HD   ARG  32          2HD       ARG  32  -2.151  -5.195  -3.876
  259   2HD   ARG  32          1HD       ARG  32  -2.212  -6.867  -4.432
  260    HE   ARG  32           HE       ARG  32  -4.846  -6.017  -4.588
  261   1HH1  ARG  32          1HH2      ARG  32  -1.785  -4.905  -5.718
  262   2HH1  ARG  32          2HH2      ARG  32  -2.429  -4.181  -7.154
  263   1HH2  ARG  32          1HH1      ARG  32  -5.704  -5.079  -6.457
  264   2HH2  ARG  32          2HH1      ARG  32  -4.648  -4.280  -7.572
  265    H    GLY  33           H        GLY  33  -7.899  -6.286  -1.384
  266   1HA   GLY  33          2HA       GLY  33  -9.082  -7.816   0.039
  267   2HA   GLY  33          1HA       GLY  33  -7.717  -8.928  -0.067
  268    H    LEU  34           H        LEU  34  -6.307  -6.031   0.501
  269    HA   LEU  34           HA       LEU  34  -5.957  -6.657   3.357
  270   1HB   LEU  34          2HB       LEU  34  -4.772  -4.398   1.715
  271   2HB   LEU  34          1HB       LEU  34  -4.244  -4.917   3.315
  272    HG   LEU  34           HG       LEU  34  -4.210  -6.666   0.839
  273   1HD1  LEU  34          1HD1      LEU  34  -2.576  -4.726   0.853
  274   2HD1  LEU  34          2HD1      LEU  34  -1.827  -6.322   0.794
  275   3HD1  LEU  34          3HD1      LEU  34  -1.872  -5.424   2.312
  276   1HD2  LEU  34          1HD2      LEU  34  -3.477  -7.048   3.731
  277   2HD2  LEU  34          2HD2      LEU  34  -2.604  -7.942   2.486
  278   3HD2  LEU  34          3HD2      LEU  34  -4.349  -8.137   2.653
  279    H    PHE  35           H        PHE  35  -8.031  -4.729   1.493
  280    HA   PHE  35           HA       PHE  35  -9.086  -3.457   3.922
  281   1HB   PHE  35          2HB       PHE  35  -7.757  -1.908   1.702
  282   2HB   PHE  35          1HB       PHE  35  -9.021  -1.176   2.689
  283    HD1  PHE  35           1HD      PHE  35  -5.583  -2.467   2.642
  284    HD2  PHE  35           2HD      PHE  35  -8.694  -0.810   5.099
  285    HE1  PHE  35           1HE      PHE  35  -3.931  -2.028   4.440
  286    HE2  PHE  35           2HE      PHE  35  -7.042  -0.373   6.896
  287    HZ   PHE  35           HZ       PHE  35  -4.661  -0.982   6.566
  Start of MODEL   19
    1   1H    LEU   1          1HT       LEU   1   0.719   0.292   9.940
    2   2H    LEU   1          2HT       LEU   1   1.176  -0.930  11.027
    3   3H    LEU   1          3HT       LEU   1  -0.355  -0.206  11.154
    4    HA   LEU   1           HA       LEU   1  -1.048  -2.003  10.028
    5   1HB   LEU   1          2HB       LEU   1   0.311  -0.636   7.695
    6   2HB   LEU   1          1HB       LEU   1  -1.182  -1.576   7.676
    7    HG   LEU   1           HG       LEU   1  -0.764   1.086   9.066
    8   1HD1  LEU   1          1HD1      LEU   1  -2.651   0.397   6.804
    9   2HD1  LEU   1          2HD1      LEU   1  -1.026   1.021   6.522
   10   3HD1  LEU   1          3HD1      LEU   1  -2.207   1.997   7.396
   11   1HD2  LEU   1          1HD2      LEU   1  -3.037  -0.900   9.037
   12   2HD2  LEU   1          2HD2      LEU   1  -3.334   0.815   9.324
   13   3HD2  LEU   1          3HD2      LEU   1  -2.298  -0.095  10.422
   14    H    SER   2           H        SER   2  -0.398  -3.719   8.248
   15    HA   SER   2           HA       SER   2   1.894  -5.126   9.225
   16   1HB   SER   2          2HB       SER   2   0.790  -5.612   6.474
   17   2HB   SER   2          1HB       SER   2   1.357  -6.780   7.665
   18    HG   SER   2           HG       SER   2  -1.112  -5.953   7.239
   19    H    ASP   3           H        ASP   3   3.396  -3.172   9.010
   20    HA   ASP   3           HA       ASP   3   4.268  -2.215   6.473
   21   1HB   ASP   3          2HB       ASP   3   6.283  -1.468   7.639
   22   2HB   ASP   3          1HB       ASP   3   4.876  -1.173   8.661
   23    H    GLU   4           H        GLU   4   5.064  -5.115   8.295
   24    HA   GLU   4           HA       GLU   4   7.344  -5.878   6.690
   25   1HB   GLU   4          2HB       GLU   4   6.712  -6.792   8.994
   26   2HB   GLU   4          1HB       GLU   4   5.491  -7.761   8.167
   27   1HG   GLU   4          2HG       GLU   4   7.282  -8.721   6.721
   28   2HG   GLU   4          1HG       GLU   4   8.480  -7.823   7.654
   29    H    ASP   5           H        ASP   5   3.952  -7.023   6.723
   30    HA   ASP   5           HA       ASP   5   4.277  -8.533   4.269
   31   1HB   ASP   5          2HB       ASP   5   1.726  -7.550   5.585
   32   2HB   ASP   5          1HB       ASP   5   1.853  -8.835   4.385
   33    H    PHE   6           H        PHE   6   2.834  -5.380   5.083
   34    HA   PHE   6           HA       PHE   6   1.821  -4.659   2.567
   35   1HB   PHE   6          2HB       PHE   6   1.525  -3.278   4.586
   36   2HB   PHE   6          1HB       PHE   6   3.243  -2.882   4.575
   37    HD1  PHE   6           1HD      PHE   6  -0.009  -2.286   2.991
   38    HD2  PHE   6           2HD      PHE   6   4.201  -1.453   2.806
   39    HE1  PHE   6           1HE      PHE   6  -0.447  -0.420   1.417
   40    HE2  PHE   6           2HE      PHE   6   3.763   0.413   1.231
   41    HZ   PHE   6           HZ       PHE   6   1.438   0.930   0.537
   42    H    ARG   7           H        ARG   7   5.063  -3.756   3.808
   43    HA   ARG   7           HA       ARG   7   6.097  -2.651   1.463
   44   1HB   ARG   7          2HB       ARG   7   7.262  -2.702   3.673
   45   2HB   ARG   7          1HB       ARG   7   7.633  -4.406   3.405
   46   1HG   ARG   7          2HG       ARG   7   8.854  -3.811   1.339
   47   2HG   ARG   7          1HG       ARG   7   8.496  -2.106   1.624
   48   1HD   ARG   7          2HD       ARG   7  10.055  -3.899   3.508
   49   2HD   ARG   7          1HD       ARG   7  10.764  -2.708   2.422
   50    HE   ARG   7           HE       ARG   7   8.924  -1.254   3.907
   51   1HH1  ARG   7          1HH2      ARG   7  11.557  -3.379   4.568
   52   2HH1  ARG   7          2HH2      ARG   7  11.977  -2.607   6.061
   53   1HH2  ARG   7          1HH1      ARG   7   9.456  -0.236   5.849
   54   2HH2  ARG   7          2HH1      ARG   7  10.786  -0.828   6.787
   55    H    ALA   8           H        ALA   8   5.767  -6.069   2.300
   56    HA   ALA   8           HA       ALA   8   7.297  -7.060   0.061
   57   1HB   ALA   8          1HB       ALA   8   6.770  -8.394   2.106
   58   2HB   ALA   8          2HB       ALA   8   6.319  -9.226   0.617
   59   3HB   ALA   8          3HB       ALA   8   5.081  -8.444   1.601
   60    H    VAL   9           H        VAL   9   3.931  -6.109   0.485
   61    HA   VAL   9           HA       VAL   9   2.992  -7.377  -1.941
   62    HB   VAL   9           HB       VAL   9   1.810  -5.116  -0.308
   63   1HG1  VAL   9          1HG1      VAL   9  -0.315  -5.904  -1.490
   64   2HG1  VAL   9          2HG1      VAL   9   0.742  -6.763  -2.611
   65   3HG1  VAL   9          3HG1      VAL   9   0.831  -5.006  -2.485
   66   1HG2  VAL   9          1HG2      VAL   9   2.171  -7.481   0.703
   67   2HG2  VAL   9          2HG2      VAL   9   0.909  -7.996  -0.418
   68   3HG2  VAL   9          3HG2      VAL   9   0.556  -6.781   0.811
   69   1HN   PF5  10          H         PF5  10   3.803  -3.955  -1.182
   70    HA   PF5  10           HA       PF5  10   3.644  -3.395  -4.096
   71   1HB   PF5  10          1HB       PF5  10   3.635  -1.042  -3.451
   72   2HB   PF5  10          2HB       PF5  10   3.989  -1.477  -1.774
   73    H    GLY  11           H        GLY  11   5.967  -3.578  -1.474
   74   1HA   GLY  11          2HA       GLY  11   8.309  -4.003  -1.912
   75   2HA   GLY  11          1HA       GLY  11   8.116  -3.255  -3.497
   76    H    MET  12           H        MET  12   6.534  -1.421  -1.165
   77    HA   MET  12           HA       MET  12   8.941   0.178  -0.495
   78   1HB   MET  12          2HB       MET  12   7.597   2.268  -1.154
   79   2HB   MET  12          1HB       MET  12   8.263   1.308  -2.476
   80   1HG   MET  12          2HG       MET  12   5.490   0.751  -1.444
   81   2HG   MET  12          1HG       MET  12   5.763   2.045  -2.610
   82   1HE   MET  12          1HE       MET  12   4.766   0.067  -5.478
   83   2HE   MET  12          2HE       MET  12   5.607   1.581  -5.156
   84   3HE   MET  12          3HE       MET  12   4.230   1.119  -4.161
   85    H    THR  13           H        THR  13   8.264   1.997   1.080
   86    HA   THR  13           HA       THR  13   6.576   0.775   3.148
   87    HB   THR  13           HB       THR  13   7.227   2.910   4.408
   88    HG1  THR  13           1HG      THR  13   7.709   4.181   2.620
   89   1HG2  THR  13          1HG2      THR  13   9.417   1.126   3.308
   90   2HG2  THR  13          2HG2      THR  13   8.410   0.777   4.713
   91   3HG2  THR  13          3HG2      THR  13   9.547   2.125   4.756
   92    H    ARG  14           H        ARG  14   4.789   1.996   4.163
   93    HA   ARG  14           HA       ARG  14   2.842   2.909   2.345
   94   1HB   ARG  14          2HB       ARG  14   3.201   3.481   5.296
   95   2HB   ARG  14          1HB       ARG  14   1.778   3.990   4.387
   96   1HG   ARG  14          2HG       ARG  14   2.643   1.131   4.177
   97   2HG   ARG  14          1HG       ARG  14   1.820   1.649   5.649
   98   1HD   ARG  14          2HD       ARG  14  -0.040   2.559   4.266
   99   2HD   ARG  14          1HD       ARG  14   0.775   1.981   2.820
  100    HE   ARG  14           HE       ARG  14   0.560  -0.276   4.431
  101   1HH1  ARG  14          1HH2      ARG  14  -1.599   2.144   3.233
  102   2HH1  ARG  14          2HH2      ARG  14  -2.950   1.066   3.122
  103   1HH2  ARG  14          1HH1      ARG  14  -1.200  -1.685   4.296
  104   2HH2  ARG  14          2HH1      ARG  14  -2.723  -1.097   3.722
  105    H    SER  15           H        SER  15   5.514   4.635   3.811
  106    HA   SER  15           HA       SER  15   4.602   7.303   3.548
  107   1HB   SER  15          2HB       SER  15   7.423   6.323   3.017
  108   2HB   SER  15          1HB       SER  15   6.944   7.953   3.484
  109    HG   SER  15           HG       SER  15   6.074   5.881   5.112
  110    H    ALA  16           H        ALA  16   6.297   5.251   1.168
  111    HA   ALA  16           HA       ALA  16   6.087   7.260  -0.929
  112   1HB   ALA  16          1HB       ALA  16   6.545   4.314  -1.389
  113   2HB   ALA  16          2HB       ALA  16   7.816   5.339  -0.722
  114   3HB   ALA  16          3HB       ALA  16   7.156   5.680  -2.322
  115    H    PHE  17           H        PHE  17   4.462   4.143  -0.265
  116    HA   PHE  17           HA       PHE  17   2.675   4.188  -2.462
  117   1HB   PHE  17          2HB       PHE  17   3.062   2.298  -0.771
  118   2HB   PHE  17          1HB       PHE  17   1.941   3.156   0.286
  119    HD1  PHE  17           1HD      PHE  17   2.229   1.902  -3.238
  120    HD2  PHE  17           2HD      PHE  17  -0.354   2.750   0.090
  121    HE1  PHE  17           1HE      PHE  17   0.312   0.926  -4.475
  122    HE2  PHE  17           2HE      PHE  17  -2.269   1.774  -1.149
  123    HZ   PHE  17           HZ       PHE  17  -1.935   0.862  -3.430
  124    H    ALA  18           H        ALA  18   2.489   5.768   0.699
  125    HA   ALA  18           HA       ALA  18  -0.213   6.639   0.576
  126   1HB   ALA  18          1HB       ALA  18   1.155   6.866   2.607
  127   2HB   ALA  18          2HB       ALA  18   0.510   8.436   2.129
  128   3HB   ALA  18          3HB       ALA  18   2.193   8.036   1.792
  129    H    ASN  19           H        ASN  19   2.513   7.544  -1.298
  130    HA   ASN  19           HA       ASN  19   1.894  10.241  -1.948
  131   1HB   ASN  19          2HB       ASN  19   3.162   8.091  -3.675
  132   2HB   ASN  19          1HB       ASN  19   3.203   9.821  -4.016
  133   1HD2  ASN  19          1HD2      ASN  19   5.624   8.367  -3.592
  134   2HD2  ASN  19          2HD2      ASN  19   6.319   8.889  -2.134
  135    H    LEU  20           H        LEU  20   0.593   7.199  -3.208
  136    HA   LEU  20           HA       LEU  20  -0.788   8.305  -5.469
  137   1HB   LEU  20          2HB       LEU  20  -1.547   5.895  -3.790
  138   2HB   LEU  20          1HB       LEU  20  -2.091   6.232  -5.433
  139    HG   LEU  20           HG       LEU  20   0.801   5.822  -4.613
  140   1HD1  LEU  20          1HD1      LEU  20  -1.283   4.010  -5.834
  141   2HD1  LEU  20          2HD1      LEU  20  -0.226   3.694  -4.457
  142   3HD1  LEU  20          3HD1      LEU  20   0.439   3.729  -6.091
  143   1HD2  LEU  20          1HD2      LEU  20   0.881   5.530  -7.230
  144   2HD2  LEU  20          2HD2      LEU  20   0.887   7.152  -6.537
  145   3HD2  LEU  20          3HD2      LEU  20  -0.606   6.479  -7.189
  146    HA   PRO  21           HA       PRO  21  -4.222  10.614  -3.932
  147   1HB   PRO  21          2HB       PRO  21  -5.863   8.600  -5.458
  148   2HB   PRO  21          1HB       PRO  21  -6.030  10.369  -5.400
  149   1HG   PRO  21          2HG       PRO  21  -4.858   9.241  -7.466
  150   2HG   PRO  21          1HG       PRO  21  -4.178  10.717  -6.753
  151   1HD   PRO  21          2HD       PRO  21  -3.176   7.904  -6.553
  152   2HD   PRO  21          1HD       PRO  21  -2.263   9.429  -6.563
  153    H    LEU  22           H        LEU  22  -5.616  10.519  -2.169
  154    HA   LEU  22           HA       LEU  22  -5.402   8.369  -0.336
  155   1HB   LEU  22          2HB       LEU  22  -6.022  10.711   0.252
  156   2HB   LEU  22          1HB       LEU  22  -7.605  10.447  -0.477
  157    HG   LEU  22           HG       LEU  22  -7.943   8.523   1.102
  158   1HD1  LEU  22          1HD1      LEU  22  -5.846   7.810   1.809
  159   2HD1  LEU  22          2HD1      LEU  22  -6.328   8.806   3.182
  160   3HD1  LEU  22          3HD1      LEU  22  -5.226   9.452   1.966
  161   1HD2  LEU  22          1HD2      LEU  22  -8.332   9.962   3.091
  162   2HD2  LEU  22          2HD2      LEU  22  -8.876  10.741   1.605
  163   3HD2  LEU  22          3HD2      LEU  22  -7.353  11.227   2.350
  164    H    TRP  23           H        TRP  23  -7.917   9.054  -2.752
  165    HA   TRP  23           HA       TRP  23  -9.630   6.893  -1.805
  166   1HB   TRP  23          2HB       TRP  23 -11.028   7.428  -3.711
  167   2HB   TRP  23          1HB       TRP  23 -10.482   8.938  -2.982
  168    HD1  TRP  23           HD       TRP  23  -9.011  10.517  -4.405
  169    HE1  TRP  23           1HE      TRP  23  -8.136  10.456  -6.829
  170    HE3  TRP  23           3HE      TRP  23 -10.181   5.704  -5.642
  171    HZ2  TRP  23           2HZ      TRP  23  -7.955   8.607  -9.005
  172    HZ3  TRP  23           3HZ      TRP  23  -9.647   4.819  -7.894
  173    HH2  TRP  23           HH       TRP  23  -8.537   6.263  -9.576
  174    H    ARG  24           H        ARG  24  -7.145   7.244  -4.283
  175    HA   ARG  24           HA       ARG  24  -7.768   4.837  -5.723
  176   1HB   ARG  24          2HB       ARG  24  -6.316   6.661  -6.606
  177   2HB   ARG  24          1HB       ARG  24  -5.077   6.199  -5.438
  178   1HG   ARG  24          2HG       ARG  24  -4.931   3.967  -6.414
  179   2HG   ARG  24          1HG       ARG  24  -6.245   4.342  -7.530
  180   1HD   ARG  24          2HD       ARG  24  -4.704   5.104  -8.981
  181   2HD   ARG  24          1HD       ARG  24  -4.372   6.419  -7.849
  182    HE   ARG  24           HE       ARG  24  -2.857   4.351  -6.847
  183   1HH1  ARG  24          1HH2      ARG  24  -3.295   5.793  -9.946
  184   2HH1  ARG  24          2HH2      ARG  24  -1.664   5.513 -10.456
  185   1HH2  ARG  24          1HH1      ARG  24  -0.722   3.978  -7.493
  186   2HH2  ARG  24          2HH1      ARG  24  -0.206   4.485  -9.066
  187    H    GLN  25           H        GLN  25  -5.416   5.475  -3.093
  188    HA   GLN  25           HA       GLN  25  -4.187   2.974  -2.975
  189   1HB   GLN  25          2HB       GLN  25  -4.108   3.393  -0.432
  190   2HB   GLN  25          1HB       GLN  25  -3.379   4.614  -1.478
  191   1HG   GLN  25          2HG       GLN  25  -5.387   5.997  -1.342
  192   2HG   GLN  25          1HG       GLN  25  -6.213   4.754  -0.400
  193   1HE2  GLN  25          1HE2      GLN  25  -3.621   7.177  -0.278
  194   2HE2  GLN  25          2HE2      GLN  25  -3.459   7.172   1.412
  195    H    GLN  26           H        GLN  26  -7.350   3.874  -1.560
  196    HA   GLN  26           HA       GLN  26  -7.849   1.310  -0.365
  197   1HB   GLN  26          2HB       GLN  26  -9.796   3.375  -1.440
  198   2HB   GLN  26          1HB       GLN  26 -10.251   1.986  -0.453
  199   1HG   GLN  26          2HG       GLN  26  -8.779   2.798   1.362
  200   2HG   GLN  26          1HG       GLN  26  -8.353   4.200   0.380
  201   1HE2  GLN  26          1HE2      GLN  26  -9.345   5.537   2.160
  202   2HE2  GLN  26          2HE2      GLN  26 -11.033   5.716   2.216
  203    H    ASN  27           H        ASN  27  -8.365   2.625  -3.595
  204    HA   ASN  27           HA       ASN  27  -9.906   0.457  -4.657
  205   1HB   ASN  27          2HB       ASN  27  -9.497   2.753  -5.707
  206   2HB   ASN  27          1HB       ASN  27  -7.921   2.138  -6.209
  207   1HD2  ASN  27          1HD2      ASN  27  -8.788   2.431  -8.487
  208   2HD2  ASN  27          2HD2      ASN  27  -9.776   1.216  -9.143
  209    H    LEU  28           H        LEU  28  -6.391   1.121  -4.859
  210    HA   LEU  28           HA       LEU  28  -5.781  -1.428  -6.074
  211   1HB   LEU  28          2HB       LEU  28  -3.927   0.384  -4.504
  212   2HB   LEU  28          1HB       LEU  28  -3.458  -0.844  -5.679
  213    HG   LEU  28           HG       LEU  28  -5.045   1.675  -6.256
  214   1HD1  LEU  28          1HD1      LEU  28  -2.236   0.772  -6.959
  215   2HD1  LEU  28          2HD1      LEU  28  -2.684   2.137  -5.938
  216   3HD1  LEU  28          3HD1      LEU  28  -3.025   2.181  -7.668
  217   1HD2  LEU  28          1HD2      LEU  28  -5.893   0.106  -7.786
  218   2HD2  LEU  28          2HD2      LEU  28  -4.361  -0.761  -7.892
  219   3HD2  LEU  28          3HD2      LEU  28  -4.543   0.809  -8.677
  220    H    ARG  29           H        ARG  29  -5.946  -0.284  -2.731
  221    HA   ARG  29           HA       ARG  29  -4.667  -2.657  -1.646
  222   1HB   ARG  29          2HB       ARG  29  -6.268  -0.412  -0.410
  223   2HB   ARG  29          1HB       ARG  29  -5.642  -1.761   0.540
  224   1HG   ARG  29          2HG       ARG  29  -3.358  -1.253  -0.191
  225   2HG   ARG  29          1HG       ARG  29  -3.957   0.052  -1.213
  226   1HD   ARG  29          2HD       ARG  29  -4.211  -0.086   1.806
  227   2HD   ARG  29          1HD       ARG  29  -3.097   0.947   0.912
  228    HE   ARG  29           HE       ARG  29  -5.584   1.607  -0.117
  229   1HH1  ARG  29          1HH2      ARG  29  -4.149   1.393   3.014
  230   2HH1  ARG  29          2HH2      ARG  29  -5.126   2.653   3.691
  231   1HH2  ARG  29          1HH1      ARG  29  -6.863   3.250   0.750
  232   2HH2  ARG  29          2HH1      ARG  29  -6.662   3.704   2.408
  233    H    ARG  30           H        ARG  30  -8.075  -1.617  -2.006
  234    HA   ARG  30           HA       ARG  30  -9.147  -3.941  -0.679
  235   1HB   ARG  30          2HB       ARG  30 -10.322  -1.991  -2.670
  236   2HB   ARG  30          1HB       ARG  30 -11.254  -3.336  -2.010
  237   1HG   ARG  30          2HG       ARG  30 -10.777  -2.515   0.285
  238   2HG   ARG  30          1HG       ARG  30  -9.903  -1.146  -0.403
  239   1HD   ARG  30          2HD       ARG  30 -12.837  -1.785  -0.833
  240   2HD   ARG  30          1HD       ARG  30 -12.193  -0.474   0.154
  241    HE   ARG  30           HE       ARG  30 -11.078  -0.032  -2.344
  242   1HH1  ARG  30          1HH2      ARG  30 -14.245  -0.526  -1.071
  243   2HH1  ARG  30          2HH2      ARG  30 -15.021   0.463  -2.263
  244   1HH2  ARG  30          1HH1      ARG  30 -12.073   1.260  -3.905
  245   2HH2  ARG  30          2HH1      ARG  30 -13.791   1.474  -3.867
  246    H    GLU  31           H        GLU  31  -8.212  -3.251  -4.017
  247    HA   GLU  31           HA       GLU  31  -9.340  -5.513  -5.298
  248   1HB   GLU  31          2HB       GLU  31  -8.110  -3.601  -6.417
  249   2HB   GLU  31          1HB       GLU  31  -6.603  -4.340  -5.881
  250   1HG   GLU  31          2HG       GLU  31  -7.009  -5.089  -8.136
  251   2HG   GLU  31          1HG       GLU  31  -7.324  -6.453  -7.063
  252    H    ARG  32           H        ARG  32  -6.647  -5.231  -3.102
  253    HA   ARG  32           HA       ARG  32  -5.876  -8.059  -3.642
  254   1HB   ARG  32          2HB       ARG  32  -4.447  -5.770  -2.281
  255   2HB   ARG  32          1HB       ARG  32  -3.866  -7.434  -2.202
  256   1HG   ARG  32          2HG       ARG  32  -3.626  -7.545  -4.595
  257   2HG   ARG  32          1HG       ARG  32  -4.446  -5.998  -4.803
  258   1HD   ARG  32          2HD       ARG  32  -2.415  -5.342  -3.063
  259   2HD   ARG  32          1HD       ARG  32  -1.647  -6.551  -4.091
  260    HE   ARG  32           HE       ARG  32  -2.102  -3.900  -4.892
  261   1HH1  ARG  32          1HH2      ARG  32  -2.882  -7.100  -5.913
  262   2HH1  ARG  32          2HH2      ARG  32  -2.945  -6.690  -7.595
  263   1HH2  ARG  32          1HH1      ARG  32  -2.179  -3.348  -7.081
  264   2HH2  ARG  32          2HH1      ARG  32  -2.547  -4.565  -8.257
  265    H    GLY  33           H        GLY  33  -7.938  -6.456  -1.633
  266   1HA   GLY  33          2HA       GLY  33  -9.092  -7.370   0.235
  267   2HA   GLY  33          1HA       GLY  33  -7.909  -8.677   0.284
  268    H    LEU  34           H        LEU  34  -6.174  -5.859   0.081
  269    HA   LEU  34           HA       LEU  34  -5.553  -5.976   2.966
  270   1HB   LEU  34          2HB       LEU  34  -4.287  -4.145   0.923
  271   2HB   LEU  34          1HB       LEU  34  -3.606  -4.711   2.447
  272    HG   LEU  34           HG       LEU  34  -4.158  -6.369  -0.029
  273   1HD1  LEU  34          1HD1      LEU  34  -1.638  -5.570   1.457
  274   2HD1  LEU  34          2HD1      LEU  34  -2.094  -5.111  -0.184
  275   3HD1  LEU  34          3HD1      LEU  34  -1.680  -6.787   0.180
  276   1HD2  LEU  34          1HD2      LEU  34  -3.023  -8.174   1.431
  277   2HD2  LEU  34          2HD2      LEU  34  -4.709  -7.797   1.787
  278   3HD2  LEU  34          3HD2      LEU  34  -3.425  -7.137   2.801
  279    H    PHE  35           H        PHE  35  -7.096  -3.837   0.645
  280    HA   PHE  35           HA       PHE  35  -8.062  -1.699   0.945
  281   1HB   PHE  35          2HB       PHE  35  -9.772  -1.724   2.607
  282   2HB   PHE  35          1HB       PHE  35  -9.594  -3.402   2.098
  283    HD1  PHE  35           1HD      PHE  35  -8.707  -0.946   4.741
  284    HD2  PHE  35           2HD      PHE  35  -8.796  -5.087   3.600
  285    HE1  PHE  35           1HE      PHE  35  -8.172  -1.601   7.074
  286    HE2  PHE  35           2HE      PHE  35  -8.262  -5.740   5.932
  287    HZ   PHE  35           HZ       PHE  35  -7.951  -3.998   7.669
  Start of MODEL   20
    1   1H    LEU   1          1HT       LEU   1   0.828  -0.910  10.321
    2   2H    LEU   1          2HT       LEU   1   2.004  -1.754  11.212
    3   3H    LEU   1          3HT       LEU   1   0.632  -1.124  11.992
    4    HA   LEU   1           HA       LEU   1  -0.240  -3.150  11.772
    5   1HB   LEU   1          2HB       LEU   1  -0.342  -2.026   8.973
    6   2HB   LEU   1          1HB       LEU   1  -1.070  -3.586   9.358
    7    HG   LEU   1           HG       LEU   1  -2.390  -2.488  11.164
    8   1HD1  LEU   1          1HD1      LEU   1  -0.937  -0.068  10.095
    9   2HD1  LEU   1          2HD1      LEU   1  -1.101  -0.600  11.769
   10   3HD1  LEU   1          3HD1      LEU   1  -2.488   0.087  10.922
   11   1HD2  LEU   1          1HD2      LEU   1  -3.970  -1.374   9.672
   12   2HD2  LEU   1          2HD2      LEU   1  -3.288  -2.773   8.843
   13   3HD2  LEU   1          3HD2      LEU   1  -2.711  -1.151   8.458
   14    H    SER   2           H        SER   2   1.462  -3.110   8.633
   15    HA   SER   2           HA       SER   2   3.266  -5.249   9.592
   16   1HB   SER   2          2HB       SER   2   1.688  -5.698   7.063
   17   2HB   SER   2          1HB       SER   2   2.602  -6.869   8.009
   18    HG   SER   2           HG       SER   2   0.034  -6.206   8.211
   19    H    ASP   3           H        ASP   3   4.638  -3.237   9.203
   20    HA   ASP   3           HA       ASP   3   5.045  -2.163   6.597
   21   1HB   ASP   3          2HB       ASP   3   7.174  -1.342   7.448
   22   2HB   ASP   3          1HB       ASP   3   5.961  -1.184   8.719
   23    H    GLU   4           H        GLU   4   6.273  -5.065   8.167
   24    HA   GLU   4           HA       GLU   4   8.252  -5.681   6.149
   25   1HB   GLU   4          2HB       GLU   4   8.082  -6.657   8.521
   26   2HB   GLU   4          1HB       GLU   4   6.815  -7.702   7.879
   27   1HG   GLU   4          2HG       GLU   4   8.876  -8.929   7.712
   28   2HG   GLU   4          1HG       GLU   4   8.456  -8.410   6.078
   29    H    ASP   5           H        ASP   5   4.943  -6.888   6.763
   30    HA   ASP   5           HA       ASP   5   4.871  -8.404   4.285
   31   1HB   ASP   5          2HB       ASP   5   3.470  -8.767   6.442
   32   2HB   ASP   5          1HB       ASP   5   2.437  -7.484   5.811
   33    H    PHE   6           H        PHE   6   3.424  -5.328   5.371
   34    HA   PHE   6           HA       PHE   6   2.023  -4.625   3.050
   35   1HB   PHE   6          2HB       PHE   6   1.950  -3.274   5.095
   36   2HB   PHE   6          1HB       PHE   6   3.640  -2.818   4.874
   37    HD1  PHE   6           1HD      PHE   6   0.196  -2.235   3.823
   38    HD2  PHE   6           2HD      PHE   6   4.315  -1.399   2.936
   39    HE1  PHE   6           1HE      PHE   6  -0.501  -0.358   2.358
   40    HE2  PHE   6           2HE      PHE   6   3.617   0.477   1.470
   41    HZ   PHE   6           HZ       PHE   6   1.211   0.998   1.183
   42    H    ARG   7           H        ARG   7   5.390  -3.645   3.803
   43    HA   ARG   7           HA       ARG   7   6.002  -2.438   1.354
   44   1HB   ARG   7          2HB       ARG   7   7.498  -2.465   3.347
   45   2HB   ARG   7          1HB       ARG   7   7.874  -4.155   3.015
   46   1HG   ARG   7          2HG       ARG   7   8.817  -3.560   0.844
   47   2HG   ARG   7          1HG       ARG   7   8.347  -1.875   1.073
   48   1HD   ARG   7          2HD       ARG   7  10.671  -2.020   1.654
   49   2HD   ARG   7          1HD       ARG   7   9.781  -1.874   3.167
   50    HE   ARG   7           HE       ARG   7  10.004  -4.614   2.776
   51   1HH1  ARG   7          1HH2      ARG   7  12.143  -1.911   2.874
   52   2HH1  ARG   7          2HH2      ARG   7  13.481  -2.825   3.487
   53   1HH2  ARG   7          1HH1      ARG   7  11.737  -5.820   3.573
   54   2HH2  ARG   7          2HH1      ARG   7  13.250  -5.039   3.883
   55    H    ALA   8           H        ALA   8   6.055  -5.889   2.175
   56    HA   ALA   8           HA       ALA   8   7.224  -6.765  -0.303
   57   1HB   ALA   8          1HB       ALA   8   5.373  -8.250   1.586
   58   2HB   ALA   8          2HB       ALA   8   7.131  -8.185   1.724
   59   3HB   ALA   8          3HB       ALA   8   6.382  -8.988   0.343
   60    H    VAL   9           H        VAL   9   3.945  -5.922   0.628
   61    HA   VAL   9           HA       VAL   9   2.657  -7.257  -1.588
   62    HB   VAL   9           HB       VAL   9   1.738  -4.977   0.180
   63   1HG1  VAL   9          1HG1      VAL   9   0.468  -4.850  -1.854
   64   2HG1  VAL   9          2HG1      VAL   9  -0.546  -5.695  -0.683
   65   3HG1  VAL   9          3HG1      VAL   9   0.305  -6.605  -1.932
   66   1HG2  VAL   9          1HG2      VAL   9   0.594  -6.653   1.427
   67   2HG2  VAL   9          2HG2      VAL   9   2.205  -7.317   1.148
   68   3HG2  VAL   9          3HG2      VAL   9   0.842  -7.866   0.170
   69   1HN   PF5  10          H         PF5  10   3.393  -3.768  -1.054
   70    HA   PF5  10           HA       PF5  10   2.944  -3.386  -3.974
   71   1HB   PF5  10          1HB       PF5  10   2.565  -1.074  -3.485
   72   2HB   PF5  10          2HB       PF5  10   3.258  -1.239  -1.865
   73    H    GLY  11           H        GLY  11   5.485  -3.867  -1.856
   74   1HA   GLY  11          2HA       GLY  11   7.802  -3.740  -2.259
   75   2HA   GLY  11          1HA       GLY  11   7.432  -3.136  -3.875
   76    H    MET  12           H        MET  12   5.938  -1.455  -1.268
   77    HA   MET  12           HA       MET  12   8.109   0.566  -1.179
   78   1HB   MET  12          2HB       MET  12   5.844   0.870  -2.823
   79   2HB   MET  12          1HB       MET  12   5.540   1.885  -1.412
   80   1HG   MET  12          2HG       MET  12   6.744   3.248  -2.974
   81   2HG   MET  12          1HG       MET  12   7.894   2.804  -1.713
   82   1HE   MET  12          1HE       MET  12   6.939   2.891  -5.262
   83   2HE   MET  12          2HE       MET  12   6.371   1.239  -5.035
   84   3HE   MET  12          3HE       MET  12   7.750   1.552  -6.085
   85    H    THR  13           H        THR  13   7.833   2.068   0.636
   86    HA   THR  13           HA       THR  13   6.652   0.755   2.958
   87    HB   THR  13           HB       THR  13   7.410   2.924   4.103
   88    HG1  THR  13           1HG      THR  13   7.386   4.164   2.171
   89   1HG2  THR  13          1HG2      THR  13   9.469   1.355   2.528
   90   2HG2  THR  13          2HG2      THR  13   8.751   0.835   4.051
   91   3HG2  THR  13          3HG2      THR  13   9.769   2.274   4.002
   92    H    ARG  14           H        ARG  14   4.936   1.639   4.262
   93    HA   ARG  14           HA       ARG  14   2.668   2.577   2.884
   94   1HB   ARG  14          2HB       ARG  14   3.426   2.917   5.800
   95   2HB   ARG  14          1HB       ARG  14   1.826   3.273   5.150
   96   1HG   ARG  14          2HG       ARG  14   1.700   0.918   4.306
   97   2HG   ARG  14          1HG       ARG  14   3.230   0.586   5.119
   98   1HD   ARG  14          2HD       ARG  14   0.686   1.533   6.479
   99   2HD   ARG  14          1HD       ARG  14   1.333  -0.101   6.538
  100    HE   ARG  14           HE       ARG  14   3.426   1.491   7.439
  101   1HH1  ARG  14          1HH2      ARG  14   0.087   1.089   8.237
  102   2HH1  ARG  14          2HH2      ARG  14   0.314   1.440   9.919
  103   1HH2  ARG  14          1HH1      ARG  14   3.730   1.957   9.628
  104   2HH2  ARG  14          2HH1      ARG  14   2.372   1.929  10.704
  105    H    SER  15           H        SER  15   5.380   4.375   4.221
  106    HA   SER  15           HA       SER  15   4.125   6.968   4.165
  107   1HB   SER  15          2HB       SER  15   7.069   6.320   3.827
  108   2HB   SER  15          1HB       SER  15   6.383   7.867   4.318
  109    HG   SER  15           HG       SER  15   5.573   5.675   5.793
  110    H    ALA  16           H        ALA  16   6.151   5.206   1.821
  111    HA   ALA  16           HA       ALA  16   5.954   7.303  -0.185
  112   1HB   ALA  16          1HB       ALA  16   6.894   5.531  -1.703
  113   2HB   ALA  16          2HB       ALA  16   6.788   4.392  -0.360
  114   3HB   ALA  16          3HB       ALA  16   7.854   5.793  -0.247
  115    H    PHE  17           H        PHE  17   4.213   4.316   0.552
  116    HA   PHE  17           HA       PHE  17   2.686   4.115  -1.839
  117   1HB   PHE  17          2HB       PHE  17   2.820   2.448   0.114
  118   2HB   PHE  17          1HB       PHE  17   1.612   3.458   0.909
  119    HD1  PHE  17           1HD      PHE  17   2.278   1.689  -2.326
  120    HD2  PHE  17           2HD      PHE  17  -0.666   3.138   0.448
  121    HE1  PHE  17           1HE      PHE  17   0.490   0.599  -3.654
  122    HE2  PHE  17           2HE      PHE  17  -2.454   2.048  -0.882
  123    HZ   PHE  17           HZ       PHE  17  -1.876   0.778  -2.932
  124    H    ALA  18           H        ALA  18   2.259   6.107   1.049
  125    HA   ALA  18           HA       ALA  18  -0.384   7.035   0.498
  126   1HB   ALA  18          1HB       ALA  18   0.775   7.418   2.655
  127   2HB   ALA  18          2HB       ALA  18   0.190   8.930   1.963
  128   3HB   ALA  18          3HB       ALA  18   1.899   8.511   1.847
  129    H    ASN  19           H        ASN  19   2.472   7.464  -1.243
  130    HA   ASN  19           HA       ASN  19   2.166  10.154  -2.187
  131   1HB   ASN  19          2HB       ASN  19   3.440   7.743  -3.519
  132   2HB   ASN  19          1HB       ASN  19   3.633   9.413  -4.055
  133   1HD2  ASN  19          1HD2      ASN  19   5.837   7.745  -3.117
  134   2HD2  ASN  19          2HD2      ASN  19   6.447   8.465  -1.706
  135    H    LEU  20           H        LEU  20   0.747   7.087  -3.224
  136    HA   LEU  20           HA       LEU  20  -0.334   8.085  -5.715
  137   1HB   LEU  20          2HB       LEU  20  -1.576   5.844  -4.133
  138   2HB   LEU  20          1HB       LEU  20  -1.423   6.008  -5.883
  139    HG   LEU  20           HG       LEU  20   0.783   5.414  -3.893
  140   1HD1  LEU  20          1HD1      LEU  20  -0.523   3.470  -4.558
  141   2HD1  LEU  20          2HD1      LEU  20   1.042   3.403  -5.367
  142   3HD1  LEU  20          3HD1      LEU  20  -0.390   3.920  -6.258
  143   1HD2  LEU  20          1HD2      LEU  20   1.869   6.849  -5.397
  144   2HD2  LEU  20          2HD2      LEU  20   0.857   6.352  -6.753
  145   3HD2  LEU  20          3HD2      LEU  20   2.115   5.272  -6.150
  146    HA   PRO  21           HA       PRO  21  -3.856  10.505  -4.636
  147   1HB   PRO  21          2HB       PRO  21  -5.413   8.439  -6.179
  148   2HB   PRO  21          1HB       PRO  21  -5.522  10.212  -6.251
  149   1HG   PRO  21          2HG       PRO  21  -4.214   8.923  -8.127
  150   2HG   PRO  21          1HG       PRO  21  -3.539  10.414  -7.443
  151   1HD   PRO  21          2HD       PRO  21  -2.691   7.578  -6.968
  152   2HD   PRO  21          1HD       PRO  21  -1.703   9.054  -7.027
  153    H    LEU  22           H        LEU  22  -5.079  10.538  -2.806
  154    HA   LEU  22           HA       LEU  22  -5.191   8.465  -0.942
  155   1HB   LEU  22          2HB       LEU  22  -5.729  10.844  -0.467
  156   2HB   LEU  22          1HB       LEU  22  -7.266  10.646  -1.309
  157    HG   LEU  22           HG       LEU  22  -7.855   8.820   0.295
  158   1HD1  LEU  22          1HD1      LEU  22  -6.360   9.029   2.473
  159   2HD1  LEU  22          2HD1      LEU  22  -5.133   9.551   1.318
  160   3HD1  LEU  22          3HD1      LEU  22  -5.875   7.958   1.158
  161   1HD2  LEU  22          1HD2      LEU  22  -7.145  11.527   1.469
  162   2HD2  LEU  22          2HD2      LEU  22  -8.200  10.350   2.252
  163   3HD2  LEU  22          3HD2      LEU  22  -8.675  11.076   0.717
  164    H    TRP  23           H        TRP  23  -7.693   9.282  -3.364
  165    HA   TRP  23           HA       TRP  23  -9.492   7.197  -2.507
  166   1HB   TRP  23          2HB       TRP  23 -10.749   7.708  -4.501
  167   2HB   TRP  23          1HB       TRP  23 -10.136   9.230  -3.852
  168    HD1  TRP  23           HD       TRP  23  -8.423  10.571  -5.271
  169    HE1  TRP  23           1HE      TRP  23  -7.466  10.285  -7.649
  170    HE3  TRP  23           3HE      TRP  23 -10.031   5.837  -6.306
  171    HZ2  TRP  23           2HZ      TRP  23  -7.394   8.310  -9.715
  172    HZ3  TRP  23           3HZ      TRP  23  -9.506   4.778  -8.483
  173    HH2  TRP  23           HH       TRP  23  -8.190   6.006 -10.188
  174    H    ARG  24           H        ARG  24  -7.022   7.361  -5.070
  175    HA   ARG  24           HA       ARG  24  -7.612   4.839  -6.262
  176   1HB   ARG  24          2HB       ARG  24  -6.129   6.565  -7.276
  177   2HB   ARG  24          1HB       ARG  24  -4.910   6.193  -6.055
  178   1HG   ARG  24          2HG       ARG  24  -4.731   3.907  -6.843
  179   2HG   ARG  24          1HG       ARG  24  -6.072   4.146  -7.962
  180   1HD   ARG  24          2HD       ARG  24  -4.277   4.470  -9.393
  181   2HD   ARG  24          1HD       ARG  24  -4.551   6.127  -8.847
  182    HE   ARG  24           HE       ARG  24  -2.749   5.124  -7.003
  183   1HH1  ARG  24          1HH2      ARG  24  -2.958   5.306 -10.439
  184   2HH1  ARG  24          2HH2      ARG  24  -1.249   5.462 -10.669
  185   1HH2  ARG  24          1HH1      ARG  24  -0.514   5.328  -7.283
  186   2HH2  ARG  24          2HH1      ARG  24   0.136   5.475  -8.882
  187    H    GLN  25           H        GLN  25  -5.398   5.670  -3.582
  188    HA   GLN  25           HA       GLN  25  -4.121   3.213  -3.244
  189   1HB   GLN  25          2HB       GLN  25  -5.144   5.127  -1.135
  190   2HB   GLN  25          1HB       GLN  25  -4.085   3.762  -0.781
  191   1HG   GLN  25          2HG       GLN  25  -2.395   4.652  -2.346
  192   2HG   GLN  25          1HG       GLN  25  -3.451   6.017  -2.713
  193   1HE2  GLN  25          1HE2      GLN  25  -2.062   4.402   0.205
  194   2HE2  GLN  25          2HE2      GLN  25  -1.749   5.849   1.036
  195    H    GLN  26           H        GLN  26  -7.403   4.100  -2.141
  196    HA   GLN  26           HA       GLN  26  -7.937   1.608  -0.817
  197   1HB   GLN  26          2HB       GLN  26  -9.830   3.534  -2.200
  198   2HB   GLN  26          1HB       GLN  26 -10.342   2.193  -1.173
  199   1HG   GLN  26          2HG       GLN  26  -9.121   3.155   0.728
  200   2HG   GLN  26          1HG       GLN  26  -8.554   4.479  -0.292
  201   1HE2  GLN  26          1HE2      GLN  26 -10.109   5.037   2.023
  202   2HE2  GLN  26          2HE2      GLN  26 -11.629   5.619   1.538
  203    H    ASN  27           H        ASN  27  -8.275   2.698  -4.161
  204    HA   ASN  27           HA       ASN  27  -9.604   0.409  -5.215
  205   1HB   ASN  27          2HB       ASN  27  -9.125   2.637  -6.383
  206   2HB   ASN  27          1HB       ASN  27  -7.498   2.022  -6.676
  207   1HD2  ASN  27          1HD2      ASN  27  -7.276   0.932  -8.631
  208   2HD2  ASN  27          2HD2      ASN  27  -8.535   0.158  -9.466
  209    H    LEU  28           H        LEU  28  -6.106   1.141  -5.009
  210    HA   LEU  28           HA       LEU  28  -5.307  -1.465  -5.986
  211   1HB   LEU  28          2HB       LEU  28  -3.675   0.457  -4.306
  212   2HB   LEU  28          1HB       LEU  28  -3.066  -0.797  -5.386
  213    HG   LEU  28           HG       LEU  28  -4.578   1.707  -6.180
  214   1HD1  LEU  28          1HD1      LEU  28  -2.437   2.071  -7.491
  215   2HD1  LEU  28          2HD1      LEU  28  -1.749   0.710  -6.607
  216   3HD1  LEU  28          3HD1      LEU  28  -2.252   2.160  -5.738
  217   1HD2  LEU  28          1HD2      LEU  28  -5.361   0.084  -7.701
  218   2HD2  LEU  28          2HD2      LEU  28  -3.828  -0.788  -7.699
  219   3HD2  LEU  28          3HD2      LEU  28  -3.961   0.760  -8.532
  220    H    ARG  29           H        ARG  29  -5.921  -0.111  -2.776
  221    HA   ARG  29           HA       ARG  29  -4.796  -2.452  -1.426
  222   1HB   ARG  29          2HB       ARG  29  -6.346  -0.046  -0.452
  223   2HB   ARG  29          1HB       ARG  29  -5.826  -1.348   0.620
  224   1HG   ARG  29          2HG       ARG  29  -3.478  -0.992  -0.132
  225   2HG   ARG  29          1HG       ARG  29  -4.023   0.366  -1.116
  226   1HD   ARG  29          2HD       ARG  29  -4.406   0.168   1.884
  227   2HD   ARG  29          1HD       ARG  29  -3.115   1.078   1.103
  228    HE   ARG  29           HE       ARG  29  -5.429   2.053  -0.076
  229   1HH1  ARG  29          1HH2      ARG  29  -4.248   1.611   3.136
  230   2HH1  ARG  29          2HH2      ARG  29  -5.111   2.967   3.778
  231   1HH2  ARG  29          1HH1      ARG  29  -6.557   3.822   0.745
  232   2HH2  ARG  29          2HH1      ARG  29  -6.420   4.220   2.425
  233    H    ARG  30           H        ARG  30  -8.128  -1.151  -1.838
  234    HA   ARG  30           HA       ARG  30  -9.419  -3.333  -0.536
  235   1HB   ARG  30          2HB       ARG  30 -10.518  -1.166  -1.219
  236   2HB   ARG  30          1HB       ARG  30 -10.530  -1.761  -2.880
  237   1HG   ARG  30          2HG       ARG  30 -11.883  -3.687  -2.217
  238   2HG   ARG  30          1HG       ARG  30 -11.802  -3.191  -0.526
  239   1HD   ARG  30          2HD       ARG  30 -13.080  -1.610  -2.778
  240   2HD   ARG  30          1HD       ARG  30 -13.939  -2.489  -1.514
  241    HE   ARG  30           HE       ARG  30 -12.808   0.139  -1.237
  242   1HH1  ARG  30          1HH2      ARG  30 -13.249  -2.890   0.353
  243   2HH1  ARG  30          2HH2      ARG  30 -13.223  -2.208   1.945
  244   1HH2  ARG  30          1HH1      ARG  30 -12.770   1.045   0.830
  245   2HH2  ARG  30          2HH1      ARG  30 -12.951   0.021   2.215
  246    H    GLU  31           H        GLU  31  -8.529  -2.862  -3.957
  247    HA   GLU  31           HA       GLU  31  -9.605  -5.316  -4.942
  248   1HB   GLU  31          2HB       GLU  31  -8.688  -3.401  -6.332
  249   2HB   GLU  31          1HB       GLU  31  -7.070  -3.959  -5.911
  250   1HG   GLU  31          2HG       GLU  31  -9.075  -5.872  -7.083
  251   2HG   GLU  31          1HG       GLU  31  -8.145  -4.803  -8.133
  252    H    ARG  32           H        ARG  32  -6.857  -4.626  -2.961
  253    HA   ARG  32           HA       ARG  32  -5.444  -7.109  -3.578
  254   1HB   ARG  32          2HB       ARG  32  -4.434  -4.877  -2.746
  255   2HB   ARG  32          1HB       ARG  32  -4.969  -5.395  -1.147
  256   1HG   ARG  32          2HG       ARG  32  -2.852  -6.326  -1.169
  257   2HG   ARG  32          1HG       ARG  32  -3.774  -7.660  -1.865
  258   1HD   ARG  32          2HD       ARG  32  -3.273  -6.641  -4.150
  259   2HD   ARG  32          1HD       ARG  32  -2.119  -5.592  -3.327
  260    HE   ARG  32           HE       ARG  32  -1.424  -8.147  -2.492
  261   1HH1  ARG  32          1HH2      ARG  32  -1.924  -6.535  -5.499
  262   2HH1  ARG  32          2HH2      ARG  32  -0.758  -7.487  -6.355
  263   1HH2  ARG  32          1HH1      ARG  32   0.101  -9.399  -3.592
  264   2HH2  ARG  32          2HH1      ARG  32   0.389  -9.109  -5.276
  265    H    GLY  33           H        GLY  33  -7.963  -6.156  -1.378
  266   1HA   GLY  33          2HA       GLY  33  -9.292  -7.768  -0.169
  267   2HA   GLY  33          1HA       GLY  33  -7.958  -8.915  -0.289
  268    H    LEU  34           H        LEU  34  -6.472  -6.137   0.561
  269    HA   LEU  34           HA       LEU  34  -6.383  -6.953   3.402
  270   1HB   LEU  34          2HB       LEU  34  -4.842  -4.755   1.990
  271   2HB   LEU  34          1HB       LEU  34  -4.492  -5.433   3.580
  272    HG   LEU  34           HG       LEU  34  -4.445  -6.989   0.976
  273   1HD1  LEU  34          1HD1      LEU  34  -2.605  -5.264   1.337
  274   2HD1  LEU  34          2HD1      LEU  34  -2.054  -6.927   1.139
  275   3HD1  LEU  34          3HD1      LEU  34  -2.118  -6.204   2.747
  276   1HD2  LEU  34          1HD2      LEU  34  -4.030  -7.690   3.874
  277   2HD2  LEU  34          2HD2      LEU  34  -3.171  -8.590   2.624
  278   3HD2  LEU  34          3HD2      LEU  34  -4.934  -8.566   2.639
  279    H    PHE  35           H        PHE  35  -8.235  -4.886   1.549
  280    HA   PHE  35           HA       PHE  35  -9.236  -3.518   3.938
  281   1HB   PHE  35          2HB       PHE  35  -7.756  -2.051   1.752
  282   2HB   PHE  35          1HB       PHE  35  -8.940  -1.240   2.776
  283    HD1  PHE  35           1HD      PHE  35  -5.599  -2.705   2.602
  284    HD2  PHE  35           2HD      PHE  35  -8.586  -1.097   5.236
  285    HE1  PHE  35           1HE      PHE  35  -3.895  -2.467   4.389
  286    HE2  PHE  35           2HE      PHE  35  -6.883  -0.858   7.023
  287    HZ   PHE  35           HZ       PHE  35  -4.538  -1.545   6.599