*HEADER    MEMBRANE PROTEIN                        09-DEC-98   1M23              
*TITLE     STRUCTURE OF THE DIMERIZED CYTOPLASMIC DOMAIN OF P23 IN               
*TITLE    2 SOLUTION                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: P23;                                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: CYTOPLASMIC DOMAIN;                                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PROTEIN WAS CHEMICALLY SYNTHESIZED FROM           
*SOURCE   4 THE GOLGI STACK OF THE ER ( ENDOPLASMIC RETICULUM) OF NEW            
*SOURCE   5 ZEALAND WHITE RABBIT (ORYCTOLAGUS CUNICULUS) LIVER CELLS.            
*KEYWDS    TRANSPORT, PROTEIN TRANSPORT, TRANSMEMBRANE, SIGNAL,                  
*KEYWDS   2 GLYCOPROTEIN, VESICULAR TRANSPORT, COP, COATOMER, GOLGI              
*KEYWDS   3 STACK, SOLUTION STRUCTURE, P23 FAMILY                                
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    M.WEIDLER, C.REINHARD, F.WIELAND, P.ROESCH                            
*REVDAT   1   29-SEP-99 1M23    0                                                

set message=off echo=off end
restraints dihedral reset
!!
!! Phi restraints: minimum deviation = 30 degrees

  !!    2
 assign (resid   1 and name c )   (resid   2 and name n ) 
        (resid   2 and name ca)   (resid   2 and name c )  1.0 -63.0 30.0 2
  !!    3 
 assign (resid   2 and name c )   (resid   3 and name n ) 
        (resid   3 and name ca)   (resid   3 and name c )  1.0 -59.0 30.0 2
  !!    4 
 assign (resid   3 and name c )   (resid   4 and name n ) 
        (resid   4 and name ca)   (resid   4 and name c )  1.0 -64.0 30.0 2
  !!    5 
 assign (resid   4 and name c )   (resid   5 and name n ) 
        (resid   5 and name ca)   (resid   5 and name c )  1.0 -64.0 30.0 2
  !!    6 
 assign (resid   5 and name c )   (resid   6 and name n ) 
        (resid   6 and name ca)   (resid   6 and name c )  1.0 -63.0 30.0 2
  !!    7 
 assign (resid   6 and name c )   (resid   7 and name n ) 
        (resid   7 and name ca)   (resid   7 and name c )  1.0 -66.0 30.0 2
  !!    8 
 assign (resid   7 and name c )   (resid   8 and name n ) 
        (resid   8 and name ca)   (resid   8 and name c )  1.0 -61.0 30.0 2
  !!    9
 assign (resid   8 and name c )   (resid   9 and name n ) 
        (resid   9 and name ca)   (resid   9 and name c )  1.0 -66.0 30.0 2
  !!    10
 assign (resid   9 and name c )   (resid   10 and name n ) 
        (resid   10 and name ca)   (resid   10 and name c )  1.0 -67.0 30.0 2
  !!    11 
 assign (resid   10 and name c )   (resid   11 and name n ) 
        (resid   11 and name ca)   (resid   11 and name c )  1.0 -68.0 30.0 2
  !!    12
 assign (resid   11 and name c )   (resid   12 and name n ) 
        (resid   12 and name ca)   (resid   12 and name c )  1.0 -100.0 30.0 2
  !!    13 
 assign (resid   12 and name c )   (resid   13 and name n ) 
        (resid   13 and name ca)   (resid   13 and name c )  1.0 -85.0 30.0 2
end

set message=on echo=on end

!! NOE constraints
noe
   nres=3000
   class all
assign (resid 12 and name HN)  (resid 11 and name HA)  1.8 0.0 2.2
assign (resid 13 and name HN)  (resid 12 and name HA)  1.8 0.0 0.9
assign (resid 3 and name HN)  (resid 2 and name HA)  1.8 0.0 2.2
assign (resid 2 and name HN)  (resid 1 and name HA)  1.8 0.0 2.2
assign (resid 4 and name HN)  (resid 3 and name HA)  1.8 0.0 2.2
assign (resid 5 and name HN)  (resid 4 and name HA)  1.8 0.0 2.2
assign (resid 6 and name HN)  (resid 5 and name HA)  1.8 0.0 2.2
assign (resid 7 and name HN)  (resid 6 and name HA)  1.8 0.0 2.2
assign (resid 10 and name HN)  (resid 9 and name HA)  1.8 0.0 2.2
assign (resid 8 and name HN)  (resid 7 and name HA)  1.8 0.0 2.2
assign (resid 9 and name HN)  (resid 8 and name HA)  1.8 0.0 2.2
assign (resid 11 and name HN)  (resid 10 and name HA)  1.8 0.0 2.2
assign (resid 4 and name HN)  (resid 2 and name HA)  1.8 0.0 3.7
assign (resid 3 and name HN)  (resid 1 and name HA)  1.8 0.0 3.7
assign (resid 7 and name HN)  (resid 5 and name HA)  1.8 0.0 3.7
assign (resid 8 and name HN)  (resid 6 and name HA)  1.8 0.0 3.7
assign (resid 10 and name HN)  (resid 8 and name HA)  1.8 0.0 3.7
assign (resid 5 and name HN)  (resid 2 and name HA)  1.8 0.0 3.7
assign (resid 8 and name HN)  (resid 5 and name HA)  1.8 0.0 2.2
assign (resid 12 and name HN)  (resid 9 and name HA)  1.8 0.0 2.2
assign (resid 7 and name HN)  (resid 3 and name HA)  1.8 0.0 3.7
assign (resid 12 and name HN)  (resid 8 and name HA)  1.8 0.0 2.2
assign (resid 10 and name HN)  (resid 6 and name HA)  1.8 0.0 2.2
assign (resid 11 and name HN)  (resid 7 and name HA)  1.8 0.0 3.7
assign (resid 9 and name HN)  (resid 13 and name HA)  1.8 0.0 2.2
assign (resid 4 and name HN)  (resid 5 and name HN)  1.8 0.0 0.9
assign (resid 11 and name HN)  (resid 12 and name HN)  1.8 0.0 0.9
assign (resid 13 and name HN)  (resid 12 and name HN)  1.8 0.0 0.9
assign (resid 7 and name HN)  (resid 6 and name HN)  1.8 0.0 2.2
assign (resid 3 and name HN)  (resid 4 and name HN)  1.8 0.0 0.9
assign (resid 2 and name HN)  (resid 3 and name HN)  1.8 0.0 0.9
assign (resid 6 and name HN)  (resid 5 and name HN)  1.8 0.0 2.2
assign (resid 3 and name HN)  (resid 5 and name HN)  1.8 0.0 2.2
assign (resid 2 and name HN)  (resid 4 and name HN)  1.8 0.0 3.7
assign (resid 7 and name HN)  (resid 6 and name HB2)  1.8 0.0 2.2
assign (resid 7 and name HN)  (resid 6 and name HB1)  1.8 0.0 2.2
assign (resid 4 and name HN)  (resid 5 and name HB1)  1.8 0.0 3.7
assign (resid 2 and name HN)  (resid 1 and name HB1)  1.8 0.0 0.9
assign (resid 2 and name HN)  (resid 1 and name HB2)  1.8 0.0 0.9
assign (resid 5 and name HN)  (resid 4 and name HB*)  1.8 0.0 2.7
assign (resid 5 and name HN)  (resid 4 and name HG*)  1.8 0.0 2.7
assign (resid 2 and name HN)  (resid 3 and name HB2)  1.8 0.0 3.7
assign (resid 4 and name HN)  (resid 3 and name HB2)  1.8 0.0 2.2
assign (resid 12 and name HN)  (resid 13 and name HG1)  1.8 0.0 3.7
assign (resid 12 and name HN)  (resid 13 and name HB*)  1.8 0.0 4.2
assign (resid 12 and name HN)  (resid 13 and name HG2)  1.8 0.0 3.7
assign (resid 5 and name HD*)  (resid 9 and name HG*)  1.8 0.0 5.7
assign (resid 5 and name HA)  (resid 8 and name HB*)  1.8 0.0 1.9
assign (resid 2 and name HA)  (resid 3 and name HB2)  1.8 0.0 3.7
assign (resid 9 and name HA)  (resid 12 and name HG11)  1.8 0.0 2.2
assign (resid 5 and name HN)  (resid 8 and name HB*)  1.8 0.0 4.7
assign (resid 3 and name HN)  (resid 2 and name HG)  1.8 0.0 3.7
assign (resid 4 and name HN)  (resid 1 and name HE*)  1.8 0.0 5.2
assign (resid 3 and name HN)  (resid 1 and name HE*)  1.8 0.0 5.2
assign (resid 2 and name HN)  (resid 1 and name HE*)  1.8 0.0 5.2
assign (resid 4 and name HN)  (resid 5 and name HD*)  1.8 0.0 5.2
assign (resid 3 and name HN)  (resid 5 and name HD*)  1.8 0.0 5.2
assign (resid 7 and name HN)  (resid 5 and name HD*)  1.8 0.0 3.7
assign (resid 2 and name HN)  (resid 1 and name HD*)  1.8 0.0 2.4
assign (resid 3 and name HN)  (resid 1 and name HD*)  1.8 0.0 3.7
assign (resid 4 and name HN)  (resid 1 and name HD*)  1.8 0.0 5.2
assign (resid 7 and name HN)  (resid 6 and name HD*)  1.8 0.0 2.4
assign (resid 2 and name HN)  (resid 5 and name HE*)  1.8 0.0 5.2
assign (resid 5 and name HN)  (resid 3 and name HE)  1.8 0.0 3.7
assign (resid 7 and name HN)  (resid 3 and name HE)  1.8 0.0 3.7
assign (resid 4 and name HN)  (resid 5 and name HA)  1.8 0.0 3.7
assign (resid 10 and name HN)  (resid 12 and name HG11)  1.8 0.0 3.7
assign (resid 5 and name HN)  (resid 6 and name HB2)  1.8 0.0 2.2
assign (resid 2 and name HN)  (resid 2 and name HB2)  1.8 0.0 0.9
assign (resid 2 and name HN)  (resid 2 and name HB1)  1.8 0.0 2.2
assign (resid 2 and name HN)  (resid 2 and name HG)  1.8 0.0 0.9
assign (resid 2 and name HN)  (resid 2 and name HD1*)  1.8 0.0 3.2
assign (resid 2 and name HN)  (resid 2 and name HD2*)  1.8 0.0 3.2
assign (resid 2 and name HN)  (resid 2 and name HA)  1.8 0.0 0.9
assign (resid 2 and name HA)  (resid 2 and name HG)  1.8 0.0 0.9
assign (resid 2 and name HA)  (resid 2 and name HB1)  1.8 0.0 0.9
assign (resid 2 and name HA)  (resid 2 and name HB2)  1.8 0.0 0.9
assign (resid 2 and name HA)  (resid 2 and name HD1*)  1.8 0.0 1.9
assign (resid 2 and name HA)  (resid 2 and name HD2*)  1.8 0.0 1.9
assign (resid 2 and name HB2)  (resid 2 and name HD1*)  1.8 0.0 3.2
assign (resid 2 and name HB1)  (resid 2 and name HD1*)  1.8 0.0 3.2
assign (resid 2 and name HB2)  (resid 2 and name HD2*)  1.8 0.0 3.2
assign (resid 2 and name HB1)  (resid 2 and name HD2*)  1.8 0.0 3.2
assign (resid 2 and name HB1)  (resid 2 and name HG)  1.8 0.0 3.7
assign (resid 2 and name HB2)  (resid 2 and name HG)  1.8 0.0 3.7
assign (resid 2 and name HB2)  (resid 2 and name HB1)  1.8 0.0 0.9
assign (resid 1 and name HD*)  (resid 1 and name HE*)  1.8 0.0 2.9
assign (resid 1 and name HD*)  (resid 1 and name HA)  1.8 0.0 2.4
assign (resid 1 and name HD*)  (resid 1 and name HB2)  1.8 0.0 2.4
assign (resid 1 and name HD*)  (resid 1 and name HB1)  1.8 0.0 2.4
assign (resid 1 and name HE*)  (resid 1 and name HB1)  1.8 0.0 3.7
assign (resid 1 and name HE*)  (resid 1 and name HB2)  1.8 0.0 3.7
assign (resid 1 and name HA)  (resid 1 and name HB1)  1.8 0.0 2.2
assign (resid 1 and name HA)  (resid 1 and name HB2)  1.8 0.0 2.2
assign (resid 1 and name HB2)  (resid 1 and name HB1)  1.8 0.0 0.9
assign (resid 3 and name HE)  (resid 3 and name HG*)  1.8 0.0 2.7
assign (resid 3 and name HE)  (resid 3 and name HB1)  1.8 0.0 2.2
assign (resid 3 and name HE)  (resid 3 and name HB2)  1.8 0.0 2.2
assign (resid 3 and name HE)  (resid 3 and name HD*)  1.8 0.0 1.4
assign (resid 3 and name HE)  (resid 3 and name HA)  1.8 0.0 3.7
assign (resid 3 and name HN)  (resid 3 and name HA)  1.8 0.0 0.9
assign (resid 3 and name HN)  (resid 3 and name HD*)  1.8 0.0 4.2
assign (resid 3 and name HN)  (resid 3 and name HB2)  1.8 0.0 0.9
assign (resid 3 and name HN)  (resid 3 and name HB1)  1.8 0.0 2.2
assign (resid 3 and name HN)  (resid 3 and name HG*)  1.8 0.0 1.4
assign (resid 3 and name HB2)  (resid 3 and name HG*)  1.8 0.0 2.7
assign (resid 3 and name HB2)  (resid 3 and name HB1)  1.8 0.0 0.9
assign (resid 3 and name HB1)  (resid 3 and name HG*)  1.8 0.0 1.4
assign (resid 3 and name HD*)  (resid 3 and name HG*)  1.8 0.0 1.9
assign (resid 3 and name HD*)  (resid 3 and name HB1)  1.8 0.0 1.4
assign (resid 4 and name HN)  (resid 4 and name HG*)  1.8 0.0 1.4
assign (resid 4 and name HN)  (resid 4 and name HB*)  1.8 0.0 2.7
assign (resid 4 and name HN)  (resid 4 and name HD*)  1.8 0.0 2.7
assign (resid 4 and name HN)  (resid 4 and name HA)  1.8 0.0 0.9
assign (resid 4 and name HE)  (resid 4 and name HA)  1.8 0.0 3.7
assign (resid 4 and name HE)  (resid 4 and name HD*)  1.8 0.0 1.4
assign (resid 4 and name HE)  (resid 4 and name HB*)  1.8 0.0 2.7
assign (resid 4 and name HE)  (resid 4 and name HG*)  1.8 0.0 1.4
assign (resid 4 and name HA)  (resid 4 and name HG*)  1.8 0.0 1.4
assign (resid 4 and name HA)  (resid 4 and name HB*)  1.8 0.0 1.4
assign (resid 4 and name HA)  (resid 4 and name HD*)  1.8 0.0 2.7
assign (resid 4 and name HD*)  (resid 4 and name HG*)  1.8 0.0 1.9
assign (resid 4 and name HD*)  (resid 4 and name HB*)  1.8 0.0 1.9
assign (resid 4 and name HB*)  (resid 4 and name HG*)  1.8 0.0 1.9
assign (resid 5 and name HN)  (resid 5 and name HB1)  1.8 0.0 0.9
assign (resid 5 and name HN)  (resid 5 and name HB2)  1.8 0.0 0.9
assign (resid 5 and name HN)  (resid 5 and name HA)  1.8 0.0 0.9
assign (resid 5 and name HE*)  (resid 5 and name HA)  1.8 0.0 5.2
assign (resid 5 and name HD*)  (resid 5 and name HA)  1.8 0.0 2.4
assign (resid 5 and name HE*)  (resid 5 and name HD*)  1.8 0.0 2.9
assign (resid 5 and name HD*)  (resid 5 and name HB1)  1.8 0.0 2.4
assign (resid 5 and name HD*)  (resid 5 and name HB2)  1.8 0.0 2.4
assign (resid 5 and name HE*)  (resid 5 and name HB2)  1.8 0.0 3.7
assign (resid 5 and name HE*)  (resid 5 and name HB1)  1.8 0.0 5.2
assign (resid 6 and name HE*)  (resid 6 and name HD*)  1.8 0.0 2.9
assign (resid 6 and name HE*)  (resid 6 and name HA)  1.8 0.0 5.2
assign (resid 6 and name HD*)  (resid 6 and name HA)  1.8 0.0 2.4
assign (resid 6 and name HE*)  (resid 6 and name HB1)  1.8 0.0 3.7
assign (resid 6 and name HE*)  (resid 6 and name HB2)  1.8 0.0 3.7
assign (resid 6 and name HD*)  (resid 6 and name HB1)  1.8 0.0 3.7
assign (resid 6 and name HD*)  (resid 6 and name HB2)  1.8 0.0 3.7
assign (resid 6 and name HA)  (resid 6 and name HB1)  1.8 0.0 0.9
assign (resid 6 and name HA)  (resid 6 and name HB2)  1.8 0.0 0.9
assign (resid 7 and name HN)  (resid 7 and name HG*)  1.8 0.0 2.7
assign (resid 7 and name HN)  (resid 7 and name HD*)  1.8 0.0 4.2
assign (resid 7 and name HN)  (resid 7 and name HB1)  1.8 0.0 0.9
assign (resid 7 and name HN)  (resid 7 and name HB2)  1.8 0.0 0.9
assign (resid 7 and name HN)  (resid 7 and name HE*)  1.8 0.0 4.2
assign (resid 7 and name HN)  (resid 7 and name HA)  1.8 0.0 0.9
assign (resid 7 and name HA)  (resid 7 and name HE*)  1.8 0.0 4.2
assign (resid 7 and name HA)  (resid 7 and name HB2)  1.8 0.0 0.9
assign (resid 7 and name HA)  (resid 7 and name HB1)  1.8 0.0 0.9
assign (resid 7 and name HA)  (resid 7 and name HD*)  1.8 0.0 2.7
assign (resid 7 and name HA)  (resid 7 and name HG*)  1.8 0.0 1.4
assign (resid 7 and name HE*)  (resid 7 and name HD*)  1.8 0.0 1.9
assign (resid 7 and name HE*)  (resid 7 and name HB1)  1.8 0.0 4.2
assign (resid 7 and name HE*)  (resid 7 and name HB2)  1.8 0.0 4.2
assign (resid 7 and name HE*)  (resid 7 and name HG*)  1.8 0.0 3.2
assign (resid 7 and name HB2)  (resid 7 and name HG*)  1.8 0.0 1.4
assign (resid 7 and name HB2)  (resid 7 and name HD*)  1.8 0.0 2.7
assign (resid 7 and name HB1)  (resid 7 and name HD*)  1.8 0.0 2.7
assign (resid 7 and name HB1)  (resid 7 and name HG*)  1.8 0.0 1.4
assign (resid 7 and name HD*)  (resid 7 and name HG*)  1.8 0.0 1.9
assign (resid 7 and name HB2)  (resid 7 and name HB1)  1.8 0.0 0.9
assign (resid 8 and name HA)  (resid 8 and name HB*)  1.8 0.0 1.9
assign (resid 8 and name HN)  (resid 8 and name HA)  1.8 0.0 0.9
assign (resid 8 and name HN)  (resid 8 and name HB*)  1.8 0.0 1.9
assign (resid 9 and name HN)  (resid 9 and name HG*)  1.8 0.0 1.4
assign (resid 9 and name HN)  (resid 9 and name HD*)  1.8 0.0 1.4
assign (resid 9 and name HN)  (resid 9 and name HB1)  1.8 0.0 2.2
assign (resid 9 and name HN)  (resid 9 and name HB2)  1.8 0.0 0.9
assign (resid 9 and name HN)  (resid 9 and name HE*)  1.8 0.0 4.2
assign (resid 9 and name HN)  (resid 9 and name HA)  1.8 0.0 0.9
assign (resid 9 and name HA)  (resid 9 and name HE*)  1.8 0.0 4.2
assign (resid 9 and name HA)  (resid 9 and name HG*)  1.8 0.0 2.7
assign (resid 9 and name HA)  (resid 9 and name HD*)  1.8 0.0 4.2
assign (resid 9 and name HA)  (resid 9 and name HB1)  1.8 0.0 2.2
assign (resid 9 and name HA)  (resid 9 and name HB2)  1.8 0.0 2.2
assign (resid 9 and name HE*)  (resid 9 and name HG*)  1.8 0.0 3.2
assign (resid 9 and name HE*)  (resid 9 and name HD*)  1.8 0.0 3.2
assign (resid 9 and name HE*)  (resid 9 and name HB1)  1.8 0.0 4.2
assign (resid 9 and name HE*)  (resid 9 and name HB2)  1.8 0.0 4.2
assign (resid 9 and name HB2)  (resid 9 and name HG*)  1.8 0.0 1.4
assign (resid 9 and name HB1)  (resid 9 and name HG*)  1.8 0.0 1.4
assign (resid 9 and name HD*)  (resid 9 and name HG*)  1.8 0.0 1.9
assign (resid 9 and name HB2)  (resid 9 and name HD*)  1.8 0.0 2.7
assign (resid 9 and name HB2)  (resid 9 and name HB1)  1.8 0.0 2.2
assign (resid 9 and name HB1)  (resid 9 and name HD*)  1.8 0.0 2.7
assign (resid 10 and name HN)  (resid 10 and name HG*)  1.8 0.0 2.7
assign (resid 10 and name HN)  (resid 10 and name HD*)  1.8 0.0 4.2
assign (resid 10 and name HN)  (resid 10 and name HB*)  1.8 0.0 2.7
assign (resid 10 and name HN)  (resid 10 and name HE*)  1.8 0.0 4.2
assign (resid 10 and name HN)  (resid 10 and name HA)  1.8 0.0 0.9
assign (resid 10 and name HA)  (resid 10 and name HE*)  1.8 0.0 4.2
assign (resid 10 and name HA)  (resid 10 and name HG*)  1.8 0.0 2.7
assign (resid 10 and name HA)  (resid 10 and name HD*)  1.8 0.0 2.7
assign (resid 10 and name HA)  (resid 10 and name HB*)  1.8 0.0 1.4
assign (resid 10 and name HE*)  (resid 10 and name HG*)  1.8 0.0 4.7
assign (resid 10 and name HE*)  (resid 10 and name HD*)  1.8 0.0 1.9
assign (resid 10 and name HE*)  (resid 10 and name HB*)  1.8 0.0 4.7
assign (resid 10 and name HB*)  (resid 10 and name HG*)  1.8 0.0 1.9
assign (resid 10 and name HD*)  (resid 10 and name HG*)  1.8 0.0 1.9
assign (resid 10 and name HB*)  (resid 10 and name HD*)  1.8 0.0 1.9
assign (resid 11 and name HN)  (resid 11 and name HG)  1.8 0.0 2.2
assign (resid 11 and name HN)  (resid 11 and name HD1*)  1.8 0.0 4.7
assign (resid 11 and name HN)  (resid 11 and name HD2*)  1.8 0.0 4.7
assign (resid 11 and name HN)  (resid 11 and name HB*)  1.8 0.0 2.7
assign (resid 11 and name HN)  (resid 11 and name HA)  1.8 0.0 0.9
assign (resid 11 and name HA)  (resid 11 and name HB*)  1.8 0.0 2.7
assign (resid 11 and name HA)  (resid 11 and name HG)  1.8 0.0 2.2
assign (resid 11 and name HA)  (resid 11 and name HD1*)  1.8 0.0 1.9
assign (resid 11 and name HA)  (resid 11 and name HD2*)  1.8 0.0 1.9
assign (resid 11 and name HB*)  (resid 11 and name HG)  1.8 0.0 1.4
assign (resid 11 and name HB*)  (resid 11 and name HD1*)  1.8 0.0 3.7
assign (resid 11 and name HB*)  (resid 11 and name HD2*)  1.8 0.0 3.7
assign (resid 11 and name HG)  (resid 11 and name HD1*)  1.8 0.0 1.9
assign (resid 11 and name HG)  (resid 11 and name HD2*)  1.8 0.0 1.9
assign (resid 11 and name HD2*)  (resid 11 and name HD1*)  1.8 0.0 2.9
assign (resid 12 and name HG12)  (resid 12 and name HG11)  1.8 0.0 0.9
assign (resid 12 and name HG11)  (resid 12 and name HD*)  1.8 0.0 3.2
assign (resid 12 and name HG11)  (resid 12 and name HG2*)  1.8 0.0 3.2
assign (resid 12 and name HG12)  (resid 12 and name HD*)  1.8 0.0 1.9
assign (resid 12 and name HG12)  (resid 12 and name HG2*)  1.8 0.0 1.9
assign (resid 12 and name HB)  (resid 12 and name HD*)  1.8 0.0 3.2
assign (resid 12 and name HB)  (resid 12 and name HG2*)  1.8 0.0 1.9
assign (resid 12 and name HB)  (resid 12 and name HG11)  1.8 0.0 2.2
assign (resid 12 and name HB)  (resid 12 and name HG12)  1.8 0.0 2.2
assign (resid 12 and name HA)  (resid 12 and name HG11)  1.8 0.0 2.2
assign (resid 12 and name HA)  (resid 12 and name HD*)  1.8 0.0 1.9
assign (resid 12 and name HA)  (resid 12 and name HG2*)  1.8 0.0 1.9
assign (resid 12 and name HN)  (resid 12 and name HG12)  1.8 0.0 2.2
assign (resid 12 and name HN)  (resid 12 and name HB)  1.8 0.0 2.2
assign (resid 12 and name HN)  (resid 12 and name HD*)  1.8 0.0 3.2
assign (resid 12 and name HN)  (resid 12 and name HG2*)  1.8 0.0 3.2
assign (resid 12 and name HN)  (resid 12 and name HG11)  1.8 0.0 0.9
assign (resid 12 and name HN)  (resid 12 and name HA)  1.8 0.0 0.9
assign (resid 12 and name HA)  (resid 12 and name HG12)  1.8 0.0 2.2
assign (resid 12 and name HA)  (resid 12 and name HB)  1.8 0.0 0.9
assign (resid 13 and name HN)  (resid 13 and name HG1)  1.8 0.0 2.2
assign (resid 13 and name HN)  (resid 13 and name HB*)  1.8 0.0 2.7
assign (resid 13 and name HN)  (resid 13 and name HG2)  1.8 0.0 2.2
assign (resid 13 and name HN)  (resid 13 and name HA)  1.8 0.0 0.9
assign (resid 13 and name HA)  (resid 13 and name HG2)  1.8 0.0 0.9
assign (resid 13 and name HA)  (resid 13 and name HG1)  1.8 0.0 0.9
assign (resid 13 and name HA)  (resid 13 and name HB*)  1.8 0.0 1.4
assign (resid 13 and name HG2)  (resid 13 and name HG1)  1.8 0.0 0.9
assign (resid 13 and name HG2)  (resid 13 and name HB*)  1.8 0.0 1.4
assign (resid 13 and name HG1)  (resid 13 and name HB*)  1.8 0.0 1.4
assign (resid 4 and name HN)  (resid 1 and name HA)  1.8 0.0 2.2
assign (resid 6 and name HN)  (resid 3 and name HA)  1.8 0.0 2.2
assign (resid 11 and name HN)  (resid 8 and name HA)  1.8 0.0 2.2
assign (resid 6 and name HN)  (resid 2 and name HA)  1.8 0.0 3.7
assign (resid 8 and name HN)  (resid 4 and name HA)  1.8 0.0 2.2
assign (resid 9 and name HN)  (resid 5 and name HA)  1.8 0.0 2.2
assign (resid 5 and name HA)  (resid 2 and name HG)  1.8 0.0 3.7
assign (resid 6 and name HA)  (resid 9 and name HG*)  1.8 0.0 4.2
assign (resid 6 and name HA)  (resid 10 and name HG*)  1.8 0.0 4.2
assign (resid 5 and name HA)  (resid 9 and name HG*)  1.8 0.0 4.2
assign (resid 6 and name HA)  (resid 9 and name HD*)  1.8 0.0 4.2
assign (resid 6 and name HA)  (resid 9 and name HB2)  1.8 0.0 2.2
assign (resid 6 and name HA)  (resid 9 and name HB1)  1.8 0.0 3.7
assign (resid 6 and name HA)  (resid 10 and name HB*)  1.8 0.0 4.2
assign (resid 6 and name HA)  (resid 10 and name HD*)  1.8 0.0 4.2
assign (resid 9 and name HA)  (resid 12 and name HB)  1.8 0.0 3.7
assign (resid 3 and name HN)  (resid 2 and name HD1*)  1.8 0.0 4.7
assign (resid 3 and name HN)  (resid 2 and name HD2*)  1.8 0.0 4.7
assign (resid 4 and name HN)  (resid 2 and name HD1*)  1.8 0.0 4.7
assign (resid 4 and name HN)  (resid 2 and name HD2*)  1.8 0.0 4.7
assign (resid 7 and name HN)  (resid 11 and name HD1*)  1.8 0.0 4.7
assign (resid 7 and name HN)  (resid 11 and name HD2*)  1.8 0.0 4.7
assign (resid 5 and name HN)  (resid 2 and name HD1*)  1.8 0.0 4.7
assign (resid 5 and name HN)  (resid 2 and name HD2*)  1.8 0.0 4.7
assign (resid 8 and name HN)  (resid 12 and name HG11)  1.8 0.0 3.7
assign (resid 9 and name HN)  (resid 12 and name HG11)  1.8 0.0 3.7
assign (resid 6 and name HE*)  (resid 2 and name HD2*)  1.8 0.0 6.2
assign (resid 6 and name HE*)  (resid 2 and name HD1*)  1.8 0.0 6.2
assign (resid 3 and name HE)  (resid 2 and name HD2*)  1.8 0.0 4.7
assign (resid 3 and name HE)  (resid 2 and name HD1*)  1.8 0.0 4.7
assign (resid 4 and name HE)  (resid 2 and name HD2*)  1.8 0.0 4.7
assign (resid 4 and name HE)  (resid 2 and name HD1*)  1.8 0.0 4.7
assign (resid 5 and name HE*)  (resid 2 and name HD2*)  1.8 0.0 6.2
assign (resid 6 and name HD*)  (resid 2 and name HD2*)  1.8 0.0 6.2
assign (resid 5 and name HE*)  (resid 2 and name HD1*)  1.8 0.0 6.2
assign (resid 6 and name HD*)  (resid 2 and name HD1*)  1.8 0.0 6.2
assign (resid 1 and name HD*)  (resid 2 and name HD2*)  1.8 0.0 6.2
assign (resid 1 and name HD*)  (resid 2 and name HD1*)  1.8 0.0 6.2
assign (resid 5 and name HD*)  (resid 2 and name HD2*)  1.8 0.0 6.2
assign (resid 5 and name HD*)  (resid 2 and name HD1*)  1.8 0.0 6.2
assign (resid 1 and name HE*)  (resid 2 and name HD2*)  1.8 0.0 6.2
assign (resid 1 and name HE*)  (resid 2 and name HD1*)  1.8 0.0 6.2
assign (resid 6 and name HD*)  (resid 9 and name HG*)  1.8 0.0 5.7
assign (resid 5 and name HE*)  (resid 9 and name HG*)  1.8 0.0 5.7
assign (resid 6 and name HE*)  (resid 9 and name HG*)  1.8 0.0 5.7
assign (resid 6 and name HE*)  (resid 10 and name HG*)  1.8 0.0 5.7
assign (resid 6 and name HD*)  (resid 10 and name HG*)  1.8 0.0 5.7
assign (resid 1 and name HD*)  (resid 4 and name HG*)  1.8 0.0 5.7
assign (resid 5 and name HD*)  (resid 8 and name HB*)  1.8 0.0 6.2
assign (resid 1 and name HE*)  (resid 4 and name HG*)  1.8 0.0 5.7
assign (resid 1 and name HE*)  (resid 3 and name HG*)  1.8 0.0 5.7
assign (resid 1 and name HE*)  (resid 3 and name HB1)  1.8 0.0 5.2
assign (resid 1 and name HE*)  (resid 3 and name HB2)  1.8 0.0 5.2
assign (resid 5 and name HD*)  (resid 9 and name HB2)  1.8 0.0 5.2
assign (resid 5 and name HD*)  (resid 9 and name HB1)  1.8 0.0 5.2
assign (resid 5 and name HD*)  (resid 10 and name HD*)  1.8 0.0 5.7
assign (resid 5 and name HD*)  (resid 9 and name HD*)  1.8 0.0 3.7
assign (resid 5 and name HD*)  (resid 2 and name HG)  1.8 0.0 5.2
assign (resid 5 and name HE*)  (resid 9 and name HD*)  1.8 0.0 5.7
assign (resid 1 and name HD*)  (resid 3 and name HG*)  1.8 0.0 5.7
assign (resid 5 and name HE*)  (resid 9 and name HB1)  1.8 0.0 5.2
assign (resid 6 and name HD*)  (resid 10 and name HB*)  1.8 0.0 5.7
assign (resid 1 and name HD*)  (resid 3 and name HB2)  1.8 0.0 5.2
assign (resid 1 and name HD*)  (resid 3 and name HB1)  1.8 0.0 5.2
assign (resid 4 and name HN)  (resid 5 and name HB2)  1.8 0.0 3.7
assign (resid 3 and name HN)  (resid 6 and name HB2)  1.8 0.0 3.7
assign (resid 3 and name HN)  (resid 6 and name HB1)  1.8 0.0 3.7
assign (resid 4 and name HN)  (resid 3 and name HD*)  1.8 0.0 4.2
assign (resid 5 and name HD*)  (resid 6 and name HA)  1.8 0.0 5.2
assign (resid 5 and name HD*)  (resid 2 and name HA)  1.8 0.0 5.2
assign (resid 5 and name HD*)  (resid 4 and name HA)  1.8 0.0 3.7
assign (resid 5 and name HE*)  (resid 6 and name HA)  1.8 0.0 3.7
assign (resid 1 and name HD*)  (resid 2 and name HA)  1.8 0.0 5.2
assign (resid 6 and name HD*)  (resid 3 and name HA)  1.8 0.0 5.2
assign (resid 6 and name HD*)  (resid 4 and name HA)  1.8 0.0 5.2
assign (resid 12 and name HN)  (resid 11 and name HB*)  1.8 0.0 4.2
assign (resid 12 and name HN)  (resid 11 and name HG)  1.8 0.0 3.7
assign (resid 5 and name HA)  (resid 4 and name HB*)  1.8 0.0 4.2
assign (resid 13 and name HG2)  (resid 9 and name HG*)  1.8 0.0 4.2
assign (resid 13 and name HG2)  (resid 9 and name HD*)  1.8 0.0 4.2
assign (resid 13 and name HG2)  (resid 9 and name HB2)  1.8 0.0 3.7
assign (resid 13 and name HG2)  (resid 9 and name HB1)  1.8 0.0 3.7
assign (resid 13 and name HG2)  (resid 12 and name HG11)  1.8 0.0 3.7
assign (resid 13 and name HG2)  (resid 12 and name HG2*)  1.8 0.0 4.2
assign (resid 13 and name HG2)  (resid 12 and name HG12)  1.8 0.0 3.7
assign (resid 10 and name HE*)  (resid 11 and name HD2*)  1.8 0.0 4.7
assign (resid 10 and name HE*)  (resid 11 and name HD1*)  1.8 0.0 4.7
assign (resid 5 and name HB1)  (resid 2 and name HD1*)  1.8 0.0 4.7
assign (resid 5 and name HB2)  (resid 2 and name HD2*)  1.8 0.0 4.7
assign (resid 5 and name HB2)  (resid 2 and name HD1*)  1.8 0.0 4.7
assign (resid 1 and name HB1)  (resid 2 and name HD2*)  1.8 0.0 4.7
assign (resid 1 and name HB1)  (resid 2 and name HD1*)  1.8 0.0 4.7
assign (resid 6 and name HB2)  (resid 2 and name HD2*)  1.8 0.0 4.7
assign (resid 6 and name HB2)  (resid 2 and name HD1*)  1.8 0.0 4.7
assign (resid 1 and name HB2)  (resid 2 and name HD2*)  1.8 0.0 4.7
assign (resid 1 and name HB2)  (resid 2 and name HD1*)  1.8 0.0 4.7
assign (resid 13 and name HA)  (resid 12 and name HG11)  1.8 0.0 3.7
assign (resid 6 and name HA)  (resid 2 and name HD2*)  1.8 0.0 4.7
assign (resid 5 and name HA)  (resid 2 and name HD2*)  1.8 0.0 4.7
assign (resid 5 and name HA)  (resid 2 and name HD1*)  1.8 0.0 4.7
assign (resid 6 and name HA)  (resid 2 and name HD1*)  1.8 0.0 4.7
assign (resid 9 and name HA)  (resid 12 and name HG2*)  1.8 0.0 4.7
assign (resid 9 and name HA)  (resid 12 and name HD*)  1.8 0.0 4.7
assign (resid 9 and name HA)  (resid 13 and name HG2)  1.8 0.0 3.7
assign (resid 10 and name HA)  (resid 13 and name HG2)  1.8 0.0 3.7
assign (resid 9 and name HA)  (resid 13 and name HG1)  1.8 0.0 3.7
assign (resid 10 and name HA)  (resid 13 and name HG1)  1.8 0.0 3.7
assign (resid 9 and name HA)  (resid 13 and name HB*)  1.8 0.0 4.2
assign (resid 10 and name HA)  (resid 13 and name HB*)  1.8 0.0 4.2
assign (resid 2 and name HA)  (resid 5 and name HB1)  1.8 0.0 2.2
assign (resid 2 and name HA)  (resid 5 and name HB2)  1.8 0.0 2.2
end



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    TYR   1          1H        TYR   1   5.666  -0.418   5.678
    2   2H    TYR   1          2H        TYR   1   6.060   0.514   7.041
    3   3H    TYR   1          3H        TYR   1   4.558   0.725   6.275
    4    HA   TYR   1           HA       TYR   1   5.455   1.888   4.503
    5   1HB   TYR   1          1HB       TYR   1   6.150   2.502   7.148
    6   2HB   TYR   1          2HB       TYR   1   7.614   2.788   6.211
    7    HD1  TYR   1           HD1      TYR   1   6.335   3.361   3.570
    8    HD2  TYR   1           HD2      TYR   1   5.466   4.831   7.505
    9    HE1  TYR   1           HE1      TYR   1   5.388   5.407   2.576
   10    HE2  TYR   1           HE2      TYR   1   4.514   6.899   6.518
   11    HH   TYR   1           HH       TYR   1   3.404   7.417   4.043
   12    H    LEU   2           H        LEU   2   7.993   0.267   6.295
   13    HA   LEU   2           HA       LEU   2  10.210   0.598   4.738
   14   1HB   LEU   2          1HB       LEU   2   9.112  -1.666   6.286
   15   2HB   LEU   2          2HB       LEU   2  10.686  -1.819   5.494
   16    HG   LEU   2           HG       LEU   2  10.825   0.684   6.581
   17   1HD1  LEU   2          1HD1      LEU   2   9.082  -1.058   8.294
   18   2HD1  LEU   2          2HD1      LEU   2  10.151   0.131   9.037
   19   3HD1  LEU   2          3HD1      LEU   2   8.908   0.653   7.902
   20   1HD2  LEU   2          1HD2      LEU   2  12.315  -1.523   6.679
   21   2HD2  LEU   2          2HD2      LEU   2  12.558  -0.210   7.830
   22   3HD2  LEU   2          3HD2      LEU   2  11.627  -1.633   8.299
   23    H    ARG   3           H        ARG   3   7.331  -0.920   3.704
   24    HA   ARG   3           HA       ARG   3   8.234  -2.776   1.819
   25   1HB   ARG   3          1HB       ARG   3   5.906  -0.995   2.273
   26   2HB   ARG   3          2HB       ARG   3   6.076  -1.588   0.625
   27   1HG   ARG   3          1HG       ARG   3   5.626  -3.147   3.165
   28   2HG   ARG   3          2HG       ARG   3   4.741  -3.240   1.645
   29   1HD   ARG   3          1HD       ARG   3   6.010  -5.147   1.379
   30   2HD   ARG   3          2HD       ARG   3   7.228  -3.989   0.806
   31    HE   ARG   3           HE       ARG   3   8.229  -4.008   3.046
   32   1HH1  ARG   3          1HH2      ARG   3   7.536  -6.955   2.123
   33   2HH1  ARG   3          2HH2      ARG   3   7.062  -7.615   3.652
   34   1HH2  ARG   3          1HH1      ARG   3   6.795  -4.522   5.201
   35   2HH2  ARG   3          2HH1      ARG   3   6.644  -6.237   5.397
   36    H    ARG   4           H        ARG   4   7.703   0.701   1.414
   37    HA   ARG   4           HA       ARG   4   9.120   0.604  -1.145
   38   1HB   ARG   4          1HB       ARG   4   8.317   2.975  -1.292
   39   2HB   ARG   4          2HB       ARG   4   7.009   1.820  -1.028
   40   1HG   ARG   4          1HG       ARG   4   6.445   2.928   0.842
   41   2HG   ARG   4          2HG       ARG   4   8.015   2.513   1.527
   42   1HD   ARG   4          1HD       ARG   4   8.351   4.670  -0.360
   43   2HD   ARG   4          2HD       ARG   4   7.108   5.101   0.831
   44    HE   ARG   4           HE       ARG   4   9.302   3.818   2.167
   45   1HH1  ARG   4          1HH1      ARG   4  10.906   5.655   0.511
   46   2HH1  ARG   4          2HH1      ARG   4  10.891   7.125   1.428
   47   1HH2  ARG   4          1HH2      ARG   4   8.190   6.184   3.391
   48   2HH2  ARG   4          2HH2      ARG   4   9.352   7.424   3.058
   49    H    PHE   5           H        PHE   5   9.743   1.320   2.126
   50    HA   PHE   5           HA       PHE   5  11.888   3.190   1.644
   51   1HB   PHE   5          1HB       PHE   5  11.046   3.599   3.691
   52   2HB   PHE   5          2HB       PHE   5  10.264   2.049   3.755
   53    HD1  PHE   5           HD1      PHE   5  12.716   4.021   5.289
   54    HD2  PHE   5           HD2      PHE   5  11.969  -0.007   3.996
   55    HE1  PHE   5           HE1      PHE   5  14.421   3.195   6.894
   56    HE2  PHE   5           HE2      PHE   5  13.678  -0.837   5.607
   57    HZ   PHE   5           HZ       PHE   5  14.901   0.765   7.053
   58    H    PHE   6           H        PHE   6  11.423  -0.179   1.602
   59    HA   PHE   6           HA       PHE   6  14.220  -0.855   2.232
   60   1HB   PHE   6          1HB       PHE   6  12.045  -2.032   2.960
   61   2HB   PHE   6          2HB       PHE   6  12.034  -2.672   1.327
   62    HD1  PHE   6           HD1      PHE   6  12.165  -4.672   3.338
   63    HD2  PHE   6           HD2      PHE   6  15.371  -2.272   1.779
   64    HE1  PHE   6           HE1      PHE   6  13.796  -6.419   3.998
   65    HE2  PHE   6           HE2      PHE   6  17.000  -4.020   2.441
   66    HZ   PHE   6           HZ       PHE   6  16.212  -6.094   3.548
   67    H    LYS   7           H        LYS   7  11.971  -1.789  -0.384
   68    HA   LYS   7           HA       LYS   7  13.866  -2.575  -2.278
   69   1HB   LYS   7          1HB       LYS   7  11.396  -2.851  -2.365
   70   2HB   LYS   7          2HB       LYS   7  11.278  -1.134  -2.730
   71   1HG   LYS   7          1HG       LYS   7  13.141  -2.004  -4.569
   72   2HG   LYS   7          2HG       LYS   7  12.008  -3.354  -4.491
   73   1HD   LYS   7          1HD       LYS   7  10.340  -1.141  -4.523
   74   2HD   LYS   7          2HD       LYS   7  11.636  -0.678  -5.626
   75   1HE   LYS   7          1HE       LYS   7  10.000  -1.846  -6.960
   76   2HE   LYS   7          2HE       LYS   7  11.335  -2.990  -6.712
   77   1HZ   LYS   7          1HZ       LYS   7   9.855  -3.330  -4.484
   78   2HZ   LYS   7          2HZ       LYS   7   8.651  -3.049  -5.646
   79   3HZ   LYS   7          3HZ       LYS   7   9.759  -4.318  -5.863
   80    H    ALA   8           H        ALA   8  12.785   0.658  -1.379
   81    HA   ALA   8           HA       ALA   8  13.856   2.101  -3.566
   82   1HB   ALA   8          1HB       ALA   8  13.095   2.640  -0.715
   83   2HB   ALA   8          2HB       ALA   8  13.936   3.899  -1.619
   84   3HB   ALA   8          3HB       ALA   8  12.385   3.289  -2.194
   85    H    LYS   9           H        LYS   9  15.289   2.851  -0.473
   86    HA   LYS   9           HA       LYS   9  17.802   3.462  -1.126
   87   1HB   LYS   9          1HB       LYS   9  16.466   2.143   1.132
   88   2HB   LYS   9          2HB       LYS   9  18.208   1.852   1.090
   89   1HG   LYS   9          1HG       LYS   9  18.508   3.903   1.972
   90   2HG   LYS   9          2HG       LYS   9  17.871   4.587   0.476
   91   1HD   LYS   9          1HD       LYS   9  16.504   5.466   2.229
   92   2HD   LYS   9          2HD       LYS   9  15.543   4.210   1.448
   93   1HE   LYS   9          1HE       LYS   9  15.357   3.892   3.852
   94   2HE   LYS   9          2HE       LYS   9  16.397   2.597   3.229
   95   1HZ   LYS   9          1HZ       LYS   9  17.792   5.054   3.808
   96   2HZ   LYS   9          2HZ       LYS   9  17.104   4.326   5.180
   97   3HZ   LYS   9          3HZ       LYS   9  18.198   3.458   4.214
   98    H    LYS  10           H        LYS  10  16.840   0.033  -0.619
   99    HA   LYS  10           HA       LYS  10  19.135  -1.377  -0.997
  100   1HB   LYS  10          1HB       LYS  10  16.352  -1.663  -2.068
  101   2HB   LYS  10          2HB       LYS  10  17.573  -2.829  -2.582
  102   1HG   LYS  10          1HG       LYS  10  18.135  -3.115  -0.102
  103   2HG   LYS  10          2HG       LYS  10  16.645  -2.231   0.233
  104   1HD   LYS  10          1HD       LYS  10  15.758  -4.348   0.196
  105   2HD   LYS  10          2HD       LYS  10  15.687  -4.020  -1.536
  106   1HE   LYS  10          1HE       LYS  10  18.313  -5.024  -0.718
  107   2HE   LYS  10          2HE       LYS  10  17.006  -6.173  -0.374
  108   1HZ   LYS  10          1HZ       LYS  10  17.410  -4.753  -2.954
  109   2HZ   LYS  10          2HZ       LYS  10  17.794  -6.380  -2.668
  110   3HZ   LYS  10          3HZ       LYS  10  16.174  -5.868  -2.613
  111    H    LEU  11           H        LEU  11  17.259  -0.127  -3.798
  112    HA   LEU  11           HA       LEU  11  19.596  -0.555  -5.530
  113   1HB   LEU  11          1HB       LEU  11  16.656  -0.044  -5.880
  114   2HB   LEU  11          2HB       LEU  11  17.759   0.100  -7.247
  115    HG   LEU  11           HG       LEU  11  18.431  -2.190  -7.062
  116   1HD1  LEU  11          1HD1      LEU  11  16.933  -2.135  -4.432
  117   2HD1  LEU  11          2HD1      LEU  11  17.436  -3.633  -5.218
  118   3HD1  LEU  11          3HD1      LEU  11  18.647  -2.465  -4.689
  119   1HD2  LEU  11          1HD2      LEU  11  15.765  -1.414  -7.488
  120   2HD2  LEU  11          2HD2      LEU  11  16.525  -2.914  -8.021
  121   3HD2  LEU  11          3HD2      LEU  11  15.672  -2.857  -6.478
  122    H    ILE  12           H        ILE  12  17.888   1.996  -3.957
  123    HA   ILE  12           HA       ILE  12  19.435   4.045  -5.408
  124    HB   ILE  12           HB       ILE  12  17.437   5.396  -5.442
  125   1HG1  ILE  12          1HG1      ILE  12  15.866   3.165  -4.194
  126   2HG1  ILE  12          2HG1      ILE  12  16.707   4.293  -3.141
  127   1HG2  ILE  12          1HG2      ILE  12  17.751   3.549  -7.148
  128   2HG2  ILE  12          2HG2      ILE  12  16.666   2.562  -6.169
  129   3HG2  ILE  12          3HG2      ILE  12  16.078   4.054  -6.908
  130   1HD1  ILE  12          1HD1      ILE  12  15.590   5.992  -4.952
  131   2HD1  ILE  12          2HD1      ILE  12  14.354   4.737  -4.849
  132   3HD1  ILE  12          3HD1      ILE  12  14.867   5.589  -3.393
  133    H    GLU  13           H        GLU  13  20.288   2.950  -2.966
  134    HA   GLU  13           HA       GLU  13  19.350   4.129  -0.624
  135   1HB   GLU  13          1HB       GLU  13  21.913   3.037  -1.619
  136   2HB   GLU  13          2HB       GLU  13  21.944   3.919  -0.082
  137   1HG   GLU  13          1HG       GLU  13  19.611   2.431   0.045
  138   2HG   GLU  13          2HG       GLU  13  20.762   1.345  -0.698
  Start of MODEL    2
    1   1H    TYR   1          1H        TYR   1   5.921   1.236   3.291
    2   2H    TYR   1          2H        TYR   1   5.367   0.092   4.417
    3   3H    TYR   1          3H        TYR   1   4.836   1.703   4.507
    4    HA   TYR   1           HA       TYR   1   6.916   2.478   5.242
    5   1HB   TYR   1          1HB       TYR   1   6.706  -0.211   6.592
    6   2HB   TYR   1          2HB       TYR   1   6.940   1.379   7.329
    7    HD1  TYR   1           HD1      TYR   1   4.549  -1.008   5.942
    8    HD2  TYR   1           HD2      TYR   1   5.024   2.905   7.636
    9    HE1  TYR   1           HE1      TYR   1   2.106  -0.853   6.251
   10    HE2  TYR   1           HE2      TYR   1   2.573   3.064   7.952
   11    HH   TYR   1           HH       TYR   1   0.594   0.832   8.156
   12    H    LEU   2           H        LEU   2   8.420  -0.328   6.229
   13    HA   LEU   2           HA       LEU   2  10.699   0.016   4.720
   14   1HB   LEU   2          1HB       LEU   2   9.436  -2.212   6.188
   15   2HB   LEU   2          2HB       LEU   2  10.952  -2.501   5.325
   16    HG   LEU   2           HG       LEU   2  11.311  -0.041   6.547
   17   1HD1  LEU   2          1HD1      LEU   2   9.526  -1.788   8.141
   18   2HD1  LEU   2          2HD1      LEU   2  10.858  -1.021   9.008
   19   3HD1  LEU   2          3HD1      LEU   2   9.685  -0.032   8.139
   20   1HD2  LEU   2          1HD2      LEU   2  12.765  -2.224   6.282
   21   2HD2  LEU   2          2HD2      LEU   2  13.097  -1.113   7.611
   22   3HD2  LEU   2          3HD2      LEU   2  12.168  -2.583   7.902
   23    H    ARG   3           H        ARG   3   7.683  -1.264   3.691
   24    HA   ARG   3           HA       ARG   3   8.547  -2.988   1.625
   25   1HB   ARG   3          1HB       ARG   3   6.174  -1.238   2.204
   26   2HB   ARG   3          2HB       ARG   3   6.286  -2.015   0.625
   27   1HG   ARG   3          1HG       ARG   3   5.066  -3.525   2.015
   28   2HG   ARG   3          2HG       ARG   3   6.690  -4.196   1.871
   29   1HD   ARG   3          1HD       ARG   3   6.211  -2.295   4.111
   30   2HD   ARG   3          2HD       ARG   3   5.520  -3.922   4.260
   31    HE   ARG   3           HE       ARG   3   8.373  -3.651   3.441
   32   1HH1  ARG   3          1HH1      ARG   3   7.244  -3.332   6.411
   33   2HH1  ARG   3          2HH1      ARG   3   7.720  -4.876   7.037
   34   1HH2  ARG   3          1HH2      ARG   3   8.434  -6.215   3.919
   35   2HH2  ARG   3          2HH2      ARG   3   8.396  -6.506   5.626
   36    H    ARG   4           H        ARG   4   7.924   0.534   1.663
   37    HA   ARG   4           HA       ARG   4   9.173   0.771  -0.980
   38   1HB   ARG   4          1HB       ARG   4   8.241   3.017  -0.942
   39   2HB   ARG   4          2HB       ARG   4   7.007   1.884  -0.384
   40   1HG   ARG   4          1HG       ARG   4   6.844   3.273   1.405
   41   2HG   ARG   4          2HG       ARG   4   8.308   2.454   1.946
   42   1HD   ARG   4          1HD       ARG   4   9.345   4.358   0.250
   43   2HD   ARG   4          2HD       ARG   4   7.974   5.217   0.981
   44    HE   ARG   4           HE       ARG   4   9.429   3.713   2.977
   45   1HH1  ARG   4          1HH2      ARG   4   8.333   6.707   2.595
   46   2HH1  ARG   4          2HH2      ARG   4   9.779   7.558   3.030
   47   1HH2  ARG   4          1HH1      ARG   4  11.799   4.746   2.877
   48   2HH2  ARG   4          2HH1      ARG   4  11.740   6.450   3.184
   49    H    PHE   5           H        PHE   5  10.007   1.169   2.303
   50    HA   PHE   5           HA       PHE   5  12.082   3.116   1.929
   51   1HB   PHE   5          1HB       PHE   5  11.351   3.228   4.064
   52   2HB   PHE   5          2HB       PHE   5  10.636   1.641   3.977
   53    HD1  PHE   5           HD1      PHE   5  13.155   3.534   5.537
   54    HD2  PHE   5           HD2      PHE   5  12.383  -0.356   3.894
   55    HE1  PHE   5           HE1      PHE   5  14.990   2.595   6.920
   56    HE2  PHE   5           HE2      PHE   5  14.224  -1.304   5.283
   57    HZ   PHE   5           HZ       PHE   5  15.524   0.175   6.792
   58    H    PHE   6           H        PHE   6  11.676  -0.287   1.754
   59    HA   PHE   6           HA       PHE   6  14.559  -0.876   1.909
   60   1HB   PHE   6          1HB       PHE   6  12.455  -2.116   2.884
   61   2HB   PHE   6          2HB       PHE   6  12.421  -2.828   1.278
   62    HD1  PHE   6           HD1      PHE   6  15.167  -1.858   3.635
   63    HD2  PHE   6           HD2      PHE   6  13.377  -4.953   1.255
   64    HE1  PHE   6           HE1      PHE   6  16.995  -3.405   4.276
   65    HE2  PHE   6           HE2      PHE   6  15.206  -6.502   1.896
   66    HZ   PHE   6           HZ       PHE   6  17.014  -5.728   3.406
   67    H    LYS   7           H        LYS   7  11.883  -1.661  -0.330
   68    HA   LYS   7           HA       LYS   7  13.354  -2.501  -2.534
   69   1HB   LYS   7          1HB       LYS   7  10.826  -2.362  -2.059
   70   2HB   LYS   7          2HB       LYS   7  10.957  -0.736  -2.717
   71   1HG   LYS   7          1HG       LYS   7  12.218  -2.886  -4.321
   72   2HG   LYS   7          2HG       LYS   7  10.455  -2.883  -4.268
   73   1HD   LYS   7          1HD       LYS   7  12.175  -0.496  -4.998
   74   2HD   LYS   7          2HD       LYS   7  11.319  -1.518  -6.153
   75   1HE   LYS   7          1HE       LYS   7   9.380  -0.398  -5.797
   76   2HE   LYS   7          2HE       LYS   7   9.518  -0.632  -4.045
   77   1HZ   LYS   7          1HZ       LYS   7  11.506   1.177  -4.897
   78   2HZ   LYS   7          2HZ       LYS   7  10.006   1.705  -5.491
   79   3HZ   LYS   7          3HZ       LYS   7  10.216   1.452  -3.828
   80    H    ALA   8           H        ALA   8  12.871   0.769  -1.320
   81    HA   ALA   8           HA       ALA   8  13.885   2.039  -3.719
   82   1HB   ALA   8          1HB       ALA   8  13.305   2.984  -0.900
   83   2HB   ALA   8          2HB       ALA   8  13.754   4.061  -2.222
   84   3HB   ALA   8          3HB       ALA   8  12.248   3.149  -2.303
   85    H    LYS   9           H        LYS   9  15.174   2.964  -0.606
   86    HA   LYS   9           HA       LYS   9  17.721   3.518  -1.150
   87   1HB   LYS   9          1HB       LYS   9  16.220   2.474   1.087
   88   2HB   LYS   9          2HB       LYS   9  17.881   1.873   1.144
   89   1HG   LYS   9          1HG       LYS   9  18.738   3.931   1.587
   90   2HG   LYS   9          2HG       LYS   9  17.648   4.732   0.455
   91   1HD   LYS   9          1HD       LYS   9  16.342   5.389   2.164
   92   2HD   LYS   9          2HD       LYS   9  16.085   3.705   2.620
   93   1HE   LYS   9          1HE       LYS   9  18.730   4.791   3.392
   94   2HE   LYS   9          2HE       LYS   9  17.344   5.514   4.232
   95   1HZ   LYS   9          1HZ       LYS   9  17.209   2.644   3.846
   96   2HZ   LYS   9          2HZ       LYS   9  18.421   3.164   4.918
   97   3HZ   LYS   9          3HZ       LYS   9  16.797   3.574   5.203
   98    H    LYS  10           H        LYS  10  16.686   0.120  -0.597
   99    HA   LYS  10           HA       LYS  10  18.980  -1.332  -0.770
  100   1HB   LYS  10          1HB       LYS  10  16.616  -2.158  -0.783
  101   2HB   LYS  10          2HB       LYS  10  16.540  -1.798  -2.509
  102   1HG   LYS  10          1HG       LYS  10  17.467  -3.797  -2.945
  103   2HG   LYS  10          2HG       LYS  10  18.916  -3.298  -2.071
  104   1HD   LYS  10          1HD       LYS  10  18.413  -4.633  -0.326
  105   2HD   LYS  10          2HD       LYS  10  16.766  -4.005  -0.245
  106   1HE   LYS  10          1HE       LYS  10  15.911  -5.698  -1.560
  107   2HE   LYS  10          2HE       LYS  10  17.403  -5.849  -2.509
  108   1HZ   LYS  10          1HZ       LYS  10  18.477  -6.667  -0.418
  109   2HZ   LYS  10          2HZ       LYS  10  16.927  -6.774   0.269
  110   3HZ   LYS  10          3HZ       LYS  10  17.321  -7.721  -1.081
  111    H    LEU  11           H        LEU  11  17.314  -0.188  -3.742
  112    HA   LEU  11           HA       LEU  11  19.773  -0.668  -5.278
  113   1HB   LEU  11          1HB       LEU  11  16.860  -0.217  -5.837
  114   2HB   LEU  11          2HB       LEU  11  18.043  -0.100  -7.138
  115    HG   LEU  11           HG       LEU  11  18.682  -2.360  -6.919
  116   1HD1  LEU  11          1HD1      LEU  11  17.290  -2.274  -4.237
  117   2HD1  LEU  11          2HD1      LEU  11  17.829  -3.773  -4.995
  118   3HD1  LEU  11          3HD1      LEU  11  19.006  -2.538  -4.546
  119   1HD2  LEU  11          1HD2      LEU  11  16.421  -2.060  -7.890
  120   2HD2  LEU  11          2HD2      LEU  11  16.569  -3.606  -7.051
  121   3HD2  LEU  11          3HD2      LEU  11  15.720  -2.263  -6.283
  122    H    ILE  12           H        ILE  12  17.932   1.938  -3.957
  123    HA   ILE  12           HA       ILE  12  19.557   3.915  -5.419
  124    HB   ILE  12           HB       ILE  12  17.549   5.237  -5.646
  125   1HG1  ILE  12          1HG1      ILE  12  15.980   3.026  -4.340
  126   2HG1  ILE  12          2HG1      ILE  12  16.687   4.296  -3.348
  127   1HG2  ILE  12          1HG2      ILE  12  17.172   2.306  -6.313
  128   2HG2  ILE  12          2HG2      ILE  12  16.142   3.594  -6.939
  129   3HG2  ILE  12          3HG2      ILE  12  17.853   3.550  -7.361
  130   1HD1  ILE  12          1HD1      ILE  12  15.587   5.703  -5.438
  131   2HD1  ILE  12          2HD1      ILE  12  14.402   4.423  -5.171
  132   3HD1  ILE  12          3HD1      ILE  12  14.849   5.505  -3.849
  133    H    GLU  13           H        GLU  13  20.265   2.960  -2.875
  134    HA   GLU  13           HA       GLU  13  19.202   4.269  -0.658
  135   1HB   GLU  13          1HB       GLU  13  21.812   3.131  -1.453
  136   2HB   GLU  13          2HB       GLU  13  21.773   4.121   0.016
  137   1HG   GLU  13          1HG       GLU  13  19.439   2.615   0.128
  138   2HG   GLU  13          2HG       GLU  13  20.652   1.499  -0.451
  Start of MODEL    3
    1   1H    TYR   1          1H        TYR   1   5.846   1.295   3.705
    2   2H    TYR   1          2H        TYR   1   5.450   0.059   4.799
    3   3H    TYR   1          3H        TYR   1   4.816   1.621   5.011
    4    HA   TYR   1           HA       TYR   1   6.922   2.509   5.592
    5   1HB   TYR   1          1HB       TYR   1   6.829  -0.187   6.954
    6   2HB   TYR   1          2HB       TYR   1   7.112   1.400   7.676
    7    HD1  TYR   1           HD1      TYR   1   5.268   2.799   8.350
    8    HD2  TYR   1           HD2      TYR   1   4.583  -0.846   6.191
    9    HE1  TYR   1           HE1      TYR   1   2.844   2.974   8.822
   10    HE2  TYR   1           HE2      TYR   1   2.166  -0.675   6.660
   11    HH   TYR   1           HH       TYR   1   0.885   1.596   8.925
   12    H    LEU   2           H        LEU   2   8.492  -0.362   6.438
   13    HA   LEU   2           HA       LEU   2  10.697   0.119   4.819
   14   1HB   LEU   2          1HB       LEU   2   9.623  -2.212   6.300
   15   2HB   LEU   2          2HB       LEU   2  11.145  -2.347   5.411
   16    HG   LEU   2           HG       LEU   2  11.368   0.085   6.668
   17   1HD1  LEU   2          1HD1      LEU   2   9.623  -1.723   8.237
   18   2HD1  LEU   2          2HD1      LEU   2  10.904  -0.901   9.126
   19   3HD1  LEU   2          3HD1      LEU   2   9.712   0.038   8.227
   20   1HD2  LEU   2          1HD2      LEU   2  12.786  -2.252   6.519
   21   2HD2  LEU   2          2HD2      LEU   2  13.254  -0.881   7.526
   22   3HD2  LEU   2          3HD2      LEU   2  12.357  -2.227   8.230
   23    H    ARG   3           H        ARG   3   7.668  -1.248   3.954
   24    HA   ARG   3           HA       ARG   3   8.460  -2.953   1.845
   25   1HB   ARG   3          1HB       ARG   3   6.095  -1.296   2.621
   26   2HB   ARG   3          2HB       ARG   3   6.139  -1.905   0.966
   27   1HG   ARG   3          1HG       ARG   3   4.994  -3.530   2.343
   28   2HG   ARG   3          2HG       ARG   3   6.563  -4.193   1.887
   29   1HD   ARG   3          1HD       ARG   3   6.506  -2.608   4.389
   30   2HD   ARG   3          2HD       ARG   3   5.702  -4.187   4.440
   31    HE   ARG   3           HE       ARG   3   8.532  -3.825   3.512
   32   1HH1  ARG   3          1HH2      ARG   3   6.917  -4.961   6.139
   33   2HH1  ARG   3          2HH2      ARG   3   7.480  -6.596   6.044
   34   1HH2  ARG   3          1HH1      ARG   3   8.859  -6.218   2.888
   35   2HH2  ARG   3          2HH1      ARG   3   8.576  -7.308   4.204
   36    H    ARG   4           H        ARG   4   7.920   0.552   2.029
   37    HA   ARG   4           HA       ARG   4   8.893   0.897  -0.713
   38   1HB   ARG   4          1HB       ARG   4   7.915   3.052  -0.552
   39   2HB   ARG   4          2HB       ARG   4   6.841   2.016   0.388
   40   1HG   ARG   4          1HG       ARG   4   8.779   2.772   2.227
   41   2HG   ARG   4          2HG       ARG   4   8.521   4.235   1.280
   42   1HD   ARG   4          1HD       ARG   4   6.291   4.425   1.933
   43   2HD   ARG   4          2HD       ARG   4   6.128   2.684   2.238
   44    HE   ARG   4           HE       ARG   4   7.905   3.215   4.127
   45   1HH1  ARG   4          1HH2      ARG   4   4.728   3.977   3.999
   46   2HH1  ARG   4          2HH2      ARG   4   4.782   5.322   5.089
   47   1HH2  ARG   4          1HH1      ARG   4   8.244   5.499   5.125
   48   2HH2  ARG   4          2HH1      ARG   4   6.770   6.186   5.721
   49    H    PHE   5           H        PHE   5  10.029   1.256   2.543
   50    HA   PHE   5           HA       PHE   5  12.168   3.071   1.953
   51   1HB   PHE   5          1HB       PHE   5  11.713   3.253   4.148
   52   2HB   PHE   5          2HB       PHE   5  10.792   1.777   4.135
   53    HD1  PHE   5           HD1      PHE   5  13.646   3.310   5.502
   54    HD2  PHE   5           HD2      PHE   5  12.266  -0.432   3.902
   55    HE1  PHE   5           HE1      PHE   5  15.449   2.125   6.728
   56    HE2  PHE   5           HE2      PHE   5  14.071  -1.621   5.138
   57    HZ   PHE   5           HZ       PHE   5  15.660  -0.339   6.547
   58    H    PHE   6           H        PHE   6  11.616  -0.306   1.784
   59    HA   PHE   6           HA       PHE   6  14.458  -1.028   1.892
   60   1HB   PHE   6          1HB       PHE   6  12.323  -2.198   2.833
   61   2HB   PHE   6          2HB       PHE   6  12.224  -2.851   1.204
   62    HD1  PHE   6           HD1      PHE   6  15.113  -2.053   3.437
   63    HD2  PHE   6           HD2      PHE   6  13.026  -5.064   1.190
   64    HE1  PHE   6           HE1      PHE   6  16.884  -3.696   3.993
   65    HE2  PHE   6           HE2      PHE   6  14.797  -6.707   1.750
   66    HZ   PHE   6           HZ       PHE   6  16.726  -6.024   3.151
   67    H    LYS   7           H        LYS   7  11.791  -1.650  -0.423
   68    HA   LYS   7           HA       LYS   7  13.336  -2.479  -2.594
   69   1HB   LYS   7          1HB       LYS   7  10.796  -2.354  -2.220
   70   2HB   LYS   7          2HB       LYS   7  10.947  -0.714  -2.841
   71   1HG   LYS   7          1HG       LYS   7  12.253  -1.813  -4.804
   72   2HG   LYS   7          2HG       LYS   7  11.487  -3.305  -4.261
   73   1HD   LYS   7          1HD       LYS   7   9.271  -2.003  -4.353
   74   2HD   LYS   7          2HD       LYS   7  10.160  -0.787  -5.270
   75   1HE   LYS   7          1HE       LYS   7  10.659  -3.500  -6.260
   76   2HE   LYS   7          2HE       LYS   7   8.951  -3.030  -6.371
   77   1HZ   LYS   7          1HZ       LYS   7   9.920  -0.793  -7.169
   78   2HZ   LYS   7          2HZ       LYS   7  11.316  -1.692  -7.516
   79   3HZ   LYS   7          3HZ       LYS   7   9.845  -2.087  -8.268
   80    H    ALA   8           H        ALA   8  12.862   0.772  -1.339
   81    HA   ALA   8           HA       ALA   8  13.902   2.086  -3.698
   82   1HB   ALA   8          1HB       ALA   8  13.120   2.859  -0.898
   83   2HB   ALA   8          2HB       ALA   8  13.900   4.028  -1.962
   84   3HB   ALA   8          3HB       ALA   8  12.350   3.318  -2.415
   85    H    LYS   9           H        LYS   9  15.212   3.019  -0.608
   86    HA   LYS   9           HA       LYS   9  17.761   3.532  -1.181
   87   1HB   LYS   9          1HB       LYS   9  16.299   2.433   1.097
   88   2HB   LYS   9          2HB       LYS   9  18.017   2.022   1.144
   89   1HG   LYS   9          1HG       LYS   9  18.538   4.117   1.763
   90   2HG   LYS   9          2HG       LYS   9  17.716   4.773   0.348
   91   1HD   LYS   9          1HD       LYS   9  15.898   3.816   2.461
   92   2HD   LYS   9          2HD       LYS   9  16.908   5.182   2.939
   93   1HE   LYS   9          1HE       LYS   9  15.829   6.624   1.528
   94   2HE   LYS   9          2HE       LYS   9  15.694   5.410   0.241
   95   1HZ   LYS   9          1HZ       LYS   9  14.180   5.178   2.773
   96   2HZ   LYS   9          2HZ       LYS   9  13.558   6.034   1.444
   97   3HZ   LYS   9          3HZ       LYS   9  13.899   4.379   1.300
   98    H    LYS  10           H        LYS  10  16.671   0.165  -0.573
   99    HA   LYS  10           HA       LYS  10  18.941  -1.328  -0.711
  100   1HB   LYS  10          1HB       LYS  10  16.619  -2.173  -0.693
  101   2HB   LYS  10          2HB       LYS  10  16.444  -1.722  -2.389
  102   1HG   LYS  10          1HG       LYS  10  17.171  -3.815  -2.853
  103   2HG   LYS  10          2HG       LYS  10  18.768  -3.220  -2.395
  104   1HD   LYS  10          1HD       LYS  10  18.172  -3.826   0.006
  105   2HD   LYS  10          2HD       LYS  10  16.768  -4.671  -0.648
  106   1HE   LYS  10          1HE       LYS  10  18.817  -5.611  -2.252
  107   2HE   LYS  10          2HE       LYS  10  19.590  -5.486  -0.660
  108   1HZ   LYS  10          1HZ       LYS  10  17.518  -6.539   0.250
  109   2HZ   LYS  10          2HZ       LYS  10  17.072  -6.895  -1.347
  110   3HZ   LYS  10          3HZ       LYS  10  18.491  -7.564  -0.694
  111    H    LEU  11           H        LEU  11  17.311  -0.189  -3.708
  112    HA   LEU  11           HA       LEU  11  19.773  -0.720  -5.218
  113   1HB   LEU  11          1HB       LEU  11  16.869  -0.261  -5.791
  114   2HB   LEU  11          2HB       LEU  11  18.051  -0.128  -7.093
  115    HG   LEU  11           HG       LEU  11  18.705  -2.385  -6.883
  116   1HD1  LEU  11          1HD1      LEU  11  17.235  -2.413  -4.235
  117   2HD1  LEU  11          2HD1      LEU  11  17.986  -3.822  -4.984
  118   3HD1  LEU  11          3HD1      LEU  11  18.984  -2.467  -4.457
  119   1HD2  LEU  11          1HD2      LEU  11  16.310  -1.919  -7.713
  120   2HD2  LEU  11          2HD2      LEU  11  16.694  -3.580  -7.261
  121   3HD2  LEU  11          3HD2      LEU  11  15.784  -2.552  -6.153
  122    H    ILE  12           H        ILE  12  17.934   1.963  -3.982
  123    HA   ILE  12           HA       ILE  12  19.654   3.855  -5.446
  124    HB   ILE  12           HB       ILE  12  17.654   5.258  -5.663
  125   1HG1  ILE  12          1HG1      ILE  12  16.197   2.876  -4.494
  126   2HG1  ILE  12          2HG1      ILE  12  16.582   4.320  -3.558
  127   1HG2  ILE  12          1HG2      ILE  12  17.536   2.389  -6.599
  128   2HG2  ILE  12          2HG2      ILE  12  16.364   3.596  -7.128
  129   3HG2  ILE  12          3HG2      ILE  12  18.074   3.802  -7.507
  130   1HD1  ILE  12          1HD1      ILE  12  15.444   5.053  -6.097
  131   2HD1  ILE  12          2HD1      ILE  12  14.365   3.939  -5.253
  132   3HD1  ILE  12          3HD1      ILE  12  14.869   5.442  -4.477
  133    H    GLU  13           H        GLU  13  20.320   3.015  -2.883
  134    HA   GLU  13           HA       GLU  13  19.215   4.353  -0.706
  135   1HB   GLU  13          1HB       GLU  13  21.888   3.314  -1.460
  136   2HB   GLU  13          2HB       GLU  13  21.752   4.276   0.022
  137   1HG   GLU  13          1HG       GLU  13  19.492   2.672   0.049
  138   2HG   GLU  13          2HG       GLU  13  20.754   1.616  -0.539
  Start of MODEL    4
    1   1H    TYR   1          1H        TYR   1   5.588   1.570   3.023
    2   2H    TYR   1          2H        TYR   1   5.122   0.354   4.112
    3   3H    TYR   1          3H        TYR   1   4.470   1.913   4.253
    4    HA   TYR   1           HA       TYR   1   6.563   2.819   4.918
    5   1HB   TYR   1          1HB       TYR   1   6.288   0.200   6.396
    6   2HB   TYR   1          2HB       TYR   1   6.592   1.807   7.060
    7    HD1  TYR   1           HD1      TYR   1   4.786   3.250   7.655
    8    HD2  TYR   1           HD2      TYR   1   4.055  -0.349   5.433
    9    HE1  TYR   1           HE1      TYR   1   2.349   3.539   7.985
   10    HE2  TYR   1           HE2      TYR   1   1.627  -0.062   5.753
   11    HH   TYR   1           HH       TYR   1   0.250   1.630   7.965
   12    H    LEU   2           H        LEU   2   8.043   0.110   6.131
   13    HA   LEU   2           HA       LEU   2  10.361   0.366   4.659
   14   1HB   LEU   2          1HB       LEU   2   9.093  -1.770   6.265
   15   2HB   LEU   2          2HB       LEU   2  10.664  -2.060   5.506
   16    HG   LEU   2           HG       LEU   2  10.882   0.498   6.531
   17   1HD1  LEU   2          1HD1      LEU   2   9.194  -1.233   8.310
   18   2HD1  LEU   2          2HD1      LEU   2  10.279  -0.026   9.001
   19   3HD1  LEU   2          3HD1      LEU   2   8.994   0.470   7.900
   20   1HD2  LEU   2          1HD2      LEU   2  12.349  -1.729   6.586
   21   2HD2  LEU   2          2HD2      LEU   2  12.647  -0.412   7.720
   22   3HD2  LEU   2          3HD2      LEU   2  11.713  -1.818   8.229
   23    H    ARG   3           H        ARG   3   7.395  -1.048   3.677
   24    HA   ARG   3           HA       ARG   3   8.325  -2.930   1.780
   25   1HB   ARG   3          1HB       ARG   3   5.941  -1.049   1.831
   26   2HB   ARG   3          2HB       ARG   3   6.110  -2.374   0.674
   27   1HG   ARG   3          1HG       ARG   3   5.900  -2.574   3.688
   28   2HG   ARG   3          2HG       ARG   3   4.778  -3.215   2.487
   29   1HD   ARG   3          1HD       ARG   3   5.980  -5.153   2.892
   30   2HD   ARG   3          2HD       ARG   3   7.055  -4.442   1.671
   31    HE   ARG   3           HE       ARG   3   8.422  -3.524   3.518
   32   1HH1  ARG   3          1HH2      ARG   3   8.572  -6.437   3.988
   33   2HH1  ARG   3          2HH2      ARG   3   8.119  -6.583   5.653
   34   1HH2  ARG   3          1HH1      ARG   3   6.698  -3.423   5.816
   35   2HH2  ARG   3          2HH1      ARG   3   7.056  -4.877   6.687
   36    H    ARG   4           H        ARG   4   7.739   0.582   1.543
   37    HA   ARG   4           HA       ARG   4   9.022   0.617  -1.094
   38   1HB   ARG   4          1HB       ARG   4   7.990   2.734  -1.335
   39   2HB   ARG   4          2HB       ARG   4   6.834   1.802  -0.385
   40   1HG   ARG   4          1HG       ARG   4   8.615   2.906   1.491
   41   2HG   ARG   4          2HG       ARG   4   8.270   4.206   0.351
   42   1HD   ARG   4          1HD       ARG   4   6.010   4.257   0.892
   43   2HD   ARG   4          2HD       ARG   4   5.982   2.546   1.365
   44    HE   ARG   4           HE       ARG   4   7.432   3.270   3.349
   45   1HH1  ARG   4          1HH2      ARG   4   4.441   4.396   2.941
   46   2HH1  ARG   4          2HH2      ARG   4   4.651   5.931   3.714
   47   1HH2  ARG   4          1HH1      ARG   4   8.109   5.714   3.804
   48   2HH2  ARG   4          2HH1      ARG   4   6.725   6.678   4.202
   49    H    PHE   5           H        PHE   5   9.786   1.310   2.183
   50    HA   PHE   5           HA       PHE   5  11.923   3.159   1.689
   51   1HB   PHE   5          1HB       PHE   5  11.164   3.485   3.784
   52   2HB   PHE   5          2HB       PHE   5  10.370   1.939   3.812
   53    HD1  PHE   5           HD1      PHE   5  12.881   3.830   5.347
   54    HD2  PHE   5           HD2      PHE   5  12.064  -0.138   3.922
   55    HE1  PHE   5           HE1      PHE   5  14.611   2.931   6.884
   56    HE2  PHE   5           HE2      PHE   5  13.798  -1.045   5.464
   57    HZ   PHE   5           HZ       PHE   5  15.070   0.493   6.940
   58    H    PHE   6           H        PHE   6  11.466  -0.240   1.703
   59    HA   PHE   6           HA       PHE   6  14.299  -0.880   2.151
   60   1HB   PHE   6          1HB       PHE   6  12.113  -2.057   2.942
   61   2HB   PHE   6          2HB       PHE   6  12.163  -2.782   1.344
   62    HD1  PHE   6           HD1      PHE   6  12.903  -5.007   1.609
   63    HD2  PHE   6           HD2      PHE   6  14.909  -1.826   3.683
   64    HE1  PHE   6           HE1      PHE   6  14.623  -6.609   2.403
   65    HE2  PHE   6           HE2      PHE   6  16.628  -3.426   4.477
   66    HZ   PHE   6           HZ       PHE   6  16.486  -5.818   3.837
   67    H    LYS   7           H        LYS   7  11.901  -1.716  -0.378
   68    HA   LYS   7           HA       LYS   7  13.694  -2.553  -2.354
   69   1HB   LYS   7          1HB       LYS   7  11.189  -2.701  -2.309
   70   2HB   LYS   7          2HB       LYS   7  11.167  -0.996  -2.744
   71   1HG   LYS   7          1HG       LYS   7  11.332  -1.596  -4.905
   72   2HG   LYS   7          2HG       LYS   7  12.953  -2.196  -4.551
   73   1HD   LYS   7          1HD       LYS   7  12.068  -4.183  -5.259
   74   2HD   LYS   7          2HD       LYS   7  11.475  -4.258  -3.599
   75   1HE   LYS   7          1HE       LYS   7   9.297  -3.696  -4.206
   76   2HE   LYS   7          2HE       LYS   7   9.822  -2.819  -5.657
   77   1HZ   LYS   7          1HZ       LYS   7  10.631  -5.578  -5.639
   78   2HZ   LYS   7          2HZ       LYS   7   8.943  -5.391  -5.615
   79   3HZ   LYS   7          3HZ       LYS   7   9.852  -4.687  -6.859
   80    H    ALA   8           H        ALA   8  12.830   0.687  -1.323
   81    HA   ALA   8           HA       ALA   8  13.882   2.098  -3.570
   82   1HB   ALA   8          1HB       ALA   8  13.407   2.851  -0.674
   83   2HB   ALA   8          2HB       ALA   8  13.764   4.014  -1.951
   84   3HB   ALA   8          3HB       ALA   8  12.277   3.066  -2.011
   85    H    LYS   9           H        LYS   9  15.291   2.902  -0.478
   86    HA   LYS   9           HA       LYS   9  17.811   3.490  -1.123
   87   1HB   LYS   9          1HB       LYS   9  16.448   2.263   1.155
   88   2HB   LYS   9          2HB       LYS   9  18.171   1.874   1.118
   89   1HG   LYS   9          1HG       LYS   9  18.809   4.043   1.477
   90   2HG   LYS   9          2HG       LYS   9  17.458   4.702   0.554
   91   1HD   LYS   9          1HD       LYS   9  17.223   5.223   2.957
   92   2HD   LYS   9          2HD       LYS   9  15.922   4.165   2.411
   93   1HE   LYS   9          1HE       LYS   9  16.602   3.088   4.384
   94   2HE   LYS   9          2HE       LYS   9  17.591   2.245   3.175
   95   1HZ   LYS   9          1HZ       LYS   9  19.342   3.894   3.536
   96   2HZ   LYS   9          2HZ       LYS   9  18.409   4.635   4.743
   97   3HZ   LYS   9          3HZ       LYS   9  18.984   3.054   4.969
   98    H    LYS  10           H        LYS  10  16.796   0.082  -0.616
   99    HA   LYS  10           HA       LYS  10  19.073  -1.376  -0.933
  100   1HB   LYS  10          1HB       LYS  10  16.617  -2.088  -0.905
  101   2HB   LYS  10          2HB       LYS  10  16.626  -1.843  -2.651
  102   1HG   LYS  10          1HG       LYS  10  18.350  -3.505  -2.949
  103   2HG   LYS  10          2HG       LYS  10  18.591  -3.637  -1.207
  104   1HD   LYS  10          1HD       LYS  10  17.234  -5.508  -1.831
  105   2HD   LYS  10          2HD       LYS  10  16.151  -4.355  -1.050
  106   1HE   LYS  10          1HE       LYS  10  15.751  -3.451  -3.474
  107   2HE   LYS  10          2HE       LYS  10  16.386  -5.030  -3.977
  108   1HZ   LYS  10          1HZ       LYS  10  14.823  -6.003  -2.276
  109   2HZ   LYS  10          2HZ       LYS  10  14.080  -4.477  -2.198
  110   3HZ   LYS  10          3HZ       LYS  10  14.086  -5.349  -3.656
  111    H    LEU  11           H        LEU  11  17.273  -0.160  -3.802
  112    HA   LEU  11           HA       LEU  11  19.670  -0.577  -5.453
  113   1HB   LEU  11          1HB       LEU  11  16.731  -0.151  -5.873
  114   2HB   LEU  11          2HB       LEU  11  17.852   0.035  -7.222
  115    HG   LEU  11           HG       LEU  11  18.549  -2.223  -7.096
  116   1HD1  LEU  11          1HD1      LEU  11  17.158  -2.326  -4.405
  117   2HD1  LEU  11          2HD1      LEU  11  17.866  -3.722  -5.219
  118   3HD1  LEU  11          3HD1      LEU  11  18.898  -2.393  -4.690
  119   1HD2  LEU  11          1HD2      LEU  11  15.956  -1.605  -7.585
  120   2HD2  LEU  11          2HD2      LEU  11  16.604  -3.236  -7.749
  121   3HD2  LEU  11          3HD2      LEU  11  15.753  -2.769  -6.275
  122    H    ILE  12           H        ILE  12  17.915   1.970  -3.940
  123    HA   ILE  12           HA       ILE  12  19.435   4.010  -5.430
  124    HB   ILE  12           HB       ILE  12  17.429   5.336  -5.502
  125   1HG1  ILE  12          1HG1      ILE  12  15.850   3.153  -4.188
  126   2HG1  ILE  12          2HG1      ILE  12  16.727   4.274  -3.156
  127   1HG2  ILE  12          1HG2      ILE  12  17.766   3.357  -7.105
  128   2HG2  ILE  12          2HG2      ILE  12  16.580   2.505  -6.119
  129   3HG2  ILE  12          3HG2      ILE  12  16.123   3.984  -6.963
  130   1HD1  ILE  12          1HD1      ILE  12  15.600   5.943  -5.027
  131   2HD1  ILE  12          2HD1      ILE  12  14.337   4.737  -4.780
  132   3HD1  ILE  12          3HD1      ILE  12  14.961   5.655  -3.408
  133    H    GLU  13           H        GLU  13  20.285   2.956  -2.956
  134    HA   GLU  13           HA       GLU  13  19.340   4.202  -0.650
  135   1HB   GLU  13          1HB       GLU  13  21.897   3.059  -1.599
  136   2HB   GLU  13          2HB       GLU  13  21.937   4.001  -0.099
  137   1HG   GLU  13          1HG       GLU  13  19.590   2.525   0.074
  138   2HG   GLU  13          2HG       GLU  13  20.756   1.409  -0.600
  Start of MODEL    5
    1   1H    TYR   1          1H        TYR   1   5.818   1.088   3.312
    2   2H    TYR   1          2H        TYR   1   5.351  -0.137   4.393
    3   3H    TYR   1          3H        TYR   1   4.709   1.425   4.554
    4    HA   TYR   1           HA       TYR   1   6.752   2.316   5.288
    5   1HB   TYR   1          1HB       TYR   1   6.611  -0.423   6.557
    6   2HB   TYR   1          2HB       TYR   1   6.871   1.136   7.346
    7    HD1  TYR   1           HD1      TYR   1   4.994   2.605   7.858
    8    HD2  TYR   1           HD2      TYR   1   4.417  -1.108   5.787
    9    HE1  TYR   1           HE1      TYR   1   2.550   2.780   8.223
   10    HE2  TYR   1           HE2      TYR   1   1.984  -0.939   6.147
   11    HH   TYR   1           HH       TYR   1   0.536   1.939   7.637
   12    H    LEU   2           H        LEU   2   8.352  -0.471   6.217
   13    HA   LEU   2           HA       LEU   2  10.627   0.033   4.722
   14   1HB   LEU   2          1HB       LEU   2   9.506  -2.271   6.197
   15   2HB   LEU   2          2HB       LEU   2  11.051  -2.446   5.354
   16    HG   LEU   2           HG       LEU   2  11.236   0.027   6.562
   17   1HD1  LEU   2          1HD1      LEU   2   9.448  -1.742   8.097
   18   2HD1  LEU   2          2HD1      LEU   2  10.752  -1.000   9.025
   19   3HD1  LEU   2          3HD1      LEU   2   9.615   0.013   8.137
   20   1HD2  LEU   2          1HD2      LEU   2  12.744  -2.189   6.412
   21   2HD2  LEU   2          2HD2      LEU   2  13.081  -0.914   7.583
   22   3HD2  LEU   2          3HD2      LEU   2  12.196  -2.356   8.080
   23    H    ARG   3           H        ARG   3   7.685  -1.374   3.684
   24    HA   ARG   3           HA       ARG   3   8.647  -3.091   1.641
   25   1HB   ARG   3          1HB       ARG   3   6.175  -1.467   2.196
   26   2HB   ARG   3          2HB       ARG   3   6.337  -2.268   0.634
   27   1HG   ARG   3          1HG       ARG   3   5.199  -3.818   2.052
   28   2HG   ARG   3          2HG       ARG   3   6.860  -4.399   1.922
   29   1HD   ARG   3          1HD       ARG   3   6.282  -2.484   4.125
   30   2HD   ARG   3          2HD       ARG   3   5.661  -4.136   4.305
   31    HE   ARG   3           HE       ARG   3   8.510  -3.732   3.512
   32   1HH1  ARG   3          1HH2      ARG   3   6.811  -3.797   6.357
   33   2HH1  ARG   3          2HH2      ARG   3   7.570  -5.212   7.009
   34   1HH2  ARG   3          1HH1      ARG   3   9.192  -6.026   4.051
   35   2HH2  ARG   3          2HH1      ARG   3   8.914  -6.478   5.700
   36    H    ARG   4           H        ARG   4   7.943   0.392   1.759
   37    HA   ARG   4           HA       ARG   4   9.052   0.747  -0.930
   38   1HB   ARG   4          1HB       ARG   4   7.949   2.836  -0.881
   39   2HB   ARG   4          2HB       ARG   4   6.889   1.788   0.060
   40   1HG   ARG   4          1HG       ARG   4   8.737   2.730   1.926
   41   2HG   ARG   4          2HG       ARG   4   8.401   4.132   0.912
   42   1HD   ARG   4          1HD       ARG   4   6.170   4.222   1.541
   43   2HD   ARG   4          2HD       ARG   4   6.079   2.473   1.840
   44    HE   ARG   4           HE       ARG   4   7.691   3.001   3.812
   45   1HH1  ARG   4          1HH2      ARG   4   4.828   4.589   2.890
   46   2HH1  ARG   4          2HH2      ARG   4   4.857   5.726   4.195
   47   1HH2  ARG   4          1HH1      ARG   4   7.966   4.724   5.355
   48   2HH2  ARG   4          2HH1      ARG   4   6.632   5.803   5.588
   49    H    PHE   5           H        PHE   5  10.003   1.150   2.373
   50    HA   PHE   5           HA       PHE   5  12.073   3.078   1.911
   51   1HB   PHE   5          1HB       PHE   5  11.516   3.198   4.089
   52   2HB   PHE   5          2HB       PHE   5  10.666   1.682   4.011
   53    HD1  PHE   5           HD1      PHE   5  13.389   3.324   5.517
   54    HD2  PHE   5           HD2      PHE   5  12.245  -0.458   3.831
   55    HE1  PHE   5           HE1      PHE   5  15.186   2.207   6.815
   56    HE2  PHE   5           HE2      PHE   5  14.046  -1.579   5.133
   57    HZ   PHE   5           HZ       PHE   5  15.514  -0.245   6.623
   58    H    PHE   6           H        PHE   6  11.677  -0.323   1.747
   59    HA   PHE   6           HA       PHE   6  14.549  -0.914   1.865
   60   1HB   PHE   6          1HB       PHE   6  12.487  -2.192   2.813
   61   2HB   PHE   6          2HB       PHE   6  12.369  -2.806   1.172
   62    HD1  PHE   6           HD1      PHE   6  13.102  -5.043   1.264
   63    HD2  PHE   6           HD2      PHE   6  15.403  -1.951   3.164
   64    HE1  PHE   6           HE1      PHE   6  14.916  -6.671   1.717
   65    HE2  PHE   6           HE2      PHE   6  17.216  -3.580   3.617
   66    HZ   PHE   6           HZ       PHE   6  16.974  -5.940   2.895
   67    H    LYS   7           H        LYS   7  11.923  -1.788  -0.388
   68    HA   LYS   7           HA       LYS   7  13.392  -2.491  -2.619
   69   1HB   LYS   7          1HB       LYS   7  10.877  -2.437  -2.175
   70   2HB   LYS   7          2HB       LYS   7  10.958  -0.762  -2.709
   71   1HG   LYS   7          1HG       LYS   7  10.601  -1.652  -4.774
   72   2HG   LYS   7          2HG       LYS   7  12.336  -1.965  -4.712
   73   1HD   LYS   7          1HD       LYS   7  11.806  -4.202  -3.662
   74   2HD   LYS   7          2HD       LYS   7  10.105  -3.887  -4.002
   75   1HE   LYS   7          1HE       LYS   7  10.544  -3.756  -6.395
   76   2HE   LYS   7          2HE       LYS   7  12.289  -3.902  -6.114
   77   1HZ   LYS   7          1HZ       LYS   7  11.080  -5.961  -4.701
   78   2HZ   LYS   7          2HZ       LYS   7  10.348  -5.959  -6.234
   79   3HZ   LYS   7          3HZ       LYS   7  12.033  -6.097  -6.099
   80    H    ALA   8           H        ALA   8  12.899   0.725  -1.305
   81    HA   ALA   8           HA       ALA   8  13.871   2.096  -3.665
   82   1HB   ALA   8          1HB       ALA   8  13.006   2.772  -0.877
   83   2HB   ALA   8          2HB       ALA   8  13.886   3.984  -1.809
   84   3HB   ALA   8          3HB       ALA   8  12.353   3.350  -2.410
   85    H    LYS   9           H        LYS   9  15.195   3.022  -0.584
   86    HA   LYS   9           HA       LYS   9  17.730   3.577  -1.180
   87   1HB   LYS   9          1HB       LYS   9  16.275   2.498   1.105
   88   2HB   LYS   9          2HB       LYS   9  17.988   2.065   1.158
   89   1HG   LYS   9          1HG       LYS   9  18.519   4.156   1.786
   90   2HG   LYS   9          2HG       LYS   9  17.759   4.802   0.330
   91   1HD   LYS   9          1HD       LYS   9  15.534   4.300   1.724
   92   2HD   LYS   9          2HD       LYS   9  16.640   4.511   3.082
   93   1HE   LYS   9          1HE       LYS   9  16.259   6.512   0.822
   94   2HE   LYS   9          2HE       LYS   9  15.603   6.675   2.464
   95   1HZ   LYS   9          1HZ       LYS   9  18.481   6.310   1.815
   96   2HZ   LYS   9          2HZ       LYS   9  17.766   7.795   2.213
   97   3HZ   LYS   9          3HZ       LYS   9  17.819   6.544   3.362
   98    H    LYS  10           H        LYS  10  16.718   0.189  -0.513
   99    HA   LYS  10           HA       LYS  10  19.019  -1.251  -0.705
  100   1HB   LYS  10          1HB       LYS  10  16.585  -2.009  -0.669
  101   2HB   LYS  10          2HB       LYS  10  16.607  -1.856  -2.428
  102   1HG   LYS  10          1HG       LYS  10  18.286  -3.531  -2.651
  103   2HG   LYS  10          2HG       LYS  10  18.658  -3.492  -0.928
  104   1HD   LYS  10          1HD       LYS  10  16.658  -4.596  -0.345
  105   2HD   LYS  10          2HD       LYS  10  15.905  -4.239  -1.900
  106   1HE   LYS  10          1HE       LYS  10  16.665  -6.205  -2.724
  107   2HE   LYS  10          2HE       LYS  10  18.334  -5.721  -2.362
  108   1HZ   LYS  10          1HZ       LYS  10  16.535  -6.564  -0.187
  109   2HZ   LYS  10          2HZ       LYS  10  17.327  -7.740  -1.124
  110   3HZ   LYS  10          3HZ       LYS  10  18.229  -6.599  -0.245
  111    H    LEU  11           H        LEU  11  17.266  -0.195  -3.670
  112    HA   LEU  11           HA       LEU  11  19.700  -0.704  -5.242
  113   1HB   LEU  11          1HB       LEU  11  16.773  -0.290  -5.773
  114   2HB   LEU  11          2HB       LEU  11  17.938  -0.180  -7.093
  115    HG   LEU  11           HG       LEU  11  18.662  -2.429  -6.772
  116   1HD1  LEU  11          1HD1      LEU  11  17.064  -2.331  -4.202
  117   2HD1  LEU  11          2HD1      LEU  11  17.735  -3.814  -4.880
  118   3HD1  LEU  11          3HD1      LEU  11  18.811  -2.516  -4.362
  119   1HD2  LEU  11          1HD2      LEU  11  16.047  -1.802  -7.413
  120   2HD2  LEU  11          2HD2      LEU  11  16.801  -3.378  -7.648
  121   3HD2  LEU  11          3HD2      LEU  11  15.860  -3.060  -6.191
  122    H    ILE  12           H        ILE  12  17.924   1.923  -3.904
  123    HA   ILE  12           HA       ILE  12  19.500   3.886  -5.443
  124    HB   ILE  12           HB       ILE  12  17.500   5.220  -5.625
  125   1HG1  ILE  12          1HG1      ILE  12  15.862   3.118  -4.267
  126   2HG1  ILE  12          2HG1      ILE  12  16.753   4.237  -3.246
  127   1HG2  ILE  12          1HG2      ILE  12  16.984   2.287  -6.184
  128   2HG2  ILE  12          2HG2      ILE  12  16.020   3.611  -6.838
  129   3HG2  ILE  12          3HG2      ILE  12  17.717   3.450  -7.290
  130   1HD1  ILE  12          1HD1      ILE  12  15.733   5.949  -5.080
  131   2HD1  ILE  12          2HD1      ILE  12  14.444   4.746  -5.008
  132   3HD1  ILE  12          3HD1      ILE  12  14.953   5.584  -3.540
  133    H    GLU  13           H        GLU  13  20.268   2.934  -2.898
  134    HA   GLU  13           HA       GLU  13  19.260   4.289  -0.682
  135   1HB   GLU  13          1HB       GLU  13  21.824   3.067  -1.492
  136   2HB   GLU  13          2HB       GLU  13  21.843   4.086  -0.043
  137   1HG   GLU  13          1HG       GLU  13  19.464   2.662   0.145
  138   2HG   GLU  13          2HG       GLU  13  20.622   1.492  -0.441
  Start of MODEL    6
    1   1H    TYR   1          1H        TYR   1   5.609   1.355   3.080
    2   2H    TYR   1          2H        TYR   1   5.172   0.211   4.253
    3   3H    TYR   1          3H        TYR   1   4.472   1.759   4.274
    4    HA   TYR   1           HA       TYR   1   6.512   2.777   4.902
    5   1HB   TYR   1          1HB       TYR   1   6.402   0.254   6.552
    6   2HB   TYR   1          2HB       TYR   1   6.524   1.927   7.103
    7    HD1  TYR   1           HD1      TYR   1   4.533   3.265   7.441
    8    HD2  TYR   1           HD2      TYR   1   4.286  -0.651   5.701
    9    HE1  TYR   1           HE1      TYR   1   2.069   3.304   7.694
   10    HE2  TYR   1           HE2      TYR   1   1.832  -0.616   5.950
   11    HH   TYR   1           HH       TYR   1   0.087   0.474   6.852
   12    H    LEU   2           H        LEU   2   8.107   0.147   6.220
   13    HA   LEU   2           HA       LEU   2  10.419   0.451   4.749
   14   1HB   LEU   2          1HB       LEU   2   9.204  -1.680   6.393
   15   2HB   LEU   2          2HB       LEU   2  10.766  -1.971   5.619
   16    HG   LEU   2           HG       LEU   2  10.970   0.606   6.593
   17   1HD1  LEU   2          1HD1      LEU   2   9.512  -1.147   8.570
   18   2HD1  LEU   2          2HD1      LEU   2  10.352   0.342   8.999
   19   3HD1  LEU   2          3HD1      LEU   2   8.971   0.393   7.905
   20   1HD2  LEU   2          1HD2      LEU   2  12.449  -1.626   6.673
   21   2HD2  LEU   2          2HD2      LEU   2  12.771  -0.268   7.750
   22   3HD2  LEU   2          3HD2      LEU   2  11.853  -1.656   8.334
   23    H    ARG   3           H        ARG   3   7.494  -1.090   3.792
   24    HA   ARG   3           HA       ARG   3   8.487  -2.976   1.937
   25   1HB   ARG   3          1HB       ARG   3   6.038  -1.185   1.980
   26   2HB   ARG   3          2HB       ARG   3   6.259  -2.477   0.795
   27   1HG   ARG   3          1HG       ARG   3   6.101  -2.773   3.807
   28   2HG   ARG   3          2HG       ARG   3   4.944  -3.372   2.617
   29   1HD   ARG   3          1HD       ARG   3   6.158  -5.319   2.884
   30   2HD   ARG   3          2HD       ARG   3   7.219  -4.546   1.690
   31    HE   ARG   3           HE       ARG   3   8.538  -3.641   3.635
   32   1HH1  ARG   3          1HH2      ARG   3   6.178  -4.690   5.464
   33   2HH1  ARG   3          2HH2      ARG   3   7.018  -5.959   6.289
   34   1HH2  ARG   3          1HH1      ARG   3   9.713  -5.957   4.106
   35   2HH2  ARG   3          2HH1      ARG   3   9.021  -6.676   5.521
   36    H    ARG   4           H        ARG   4   7.819   0.509   1.620
   37    HA   ARG   4           HA       ARG   4   9.092   0.504  -1.022
   38   1HB   ARG   4          1HB       ARG   4   8.044   2.618  -1.296
   39   2HB   ARG   4          2HB       ARG   4   6.889   1.665  -0.367
   40   1HG   ARG   4          1HG       ARG   4   8.631   2.831   1.523
   41   2HG   ARG   4          2HG       ARG   4   8.229   4.109   0.380
   42   1HD   ARG   4          1HD       ARG   4   5.967   4.060   0.914
   43   2HD   ARG   4          2HD       ARG   4   6.016   2.352   1.399
   44    HE   ARG   4           HE       ARG   4   7.544   3.270   3.326
   45   1HH1  ARG   4          1HH1      ARG   4   4.494   4.309   2.230
   46   2HH1  ARG   4          2HH1      ARG   4   4.315   5.545   3.429
   47   1HH2  ARG   4          1HH2      ARG   4   7.511   5.143   4.707
   48   2HH2  ARG   4          2HH2      ARG   4   6.024   6.022   4.825
   49    H    PHE   5           H        PHE   5   9.845   1.317   2.246
   50    HA   PHE   5           HA       PHE   5  11.961   3.170   1.693
   51   1HB   PHE   5          1HB       PHE   5  11.257   3.525   3.798
   52   2HB   PHE   5          2HB       PHE   5  10.445   1.988   3.854
   53    HD1  PHE   5           HD1      PHE   5  12.126  -0.111   3.969
   54    HD2  PHE   5           HD2      PHE   5  12.996   3.867   5.339
   55    HE1  PHE   5           HE1      PHE   5  13.875  -1.014   5.497
   56    HE2  PHE   5           HE2      PHE   5  14.743   2.969   6.856
   57    HZ   PHE   5           HZ       PHE   5  15.182   0.529   6.934
   58    H    PHE   6           H        PHE   6  11.551  -0.227   1.745
   59    HA   PHE   6           HA       PHE   6  14.401  -0.830   2.161
   60   1HB   PHE   6          1HB       PHE   6  12.232  -1.992   3.035
   61   2HB   PHE   6          2HB       PHE   6  12.264  -2.772   1.463
   62    HD1  PHE   6           HD1      PHE   6  15.524  -2.344   1.620
   63    HD2  PHE   6           HD2      PHE   6  12.524  -4.384   3.915
   64    HE1  PHE   6           HE1      PHE   6  17.240  -3.931   2.450
   65    HE2  PHE   6           HE2      PHE   6  14.238  -5.970   4.748
   66    HZ   PHE   6           HZ       PHE   6  16.597  -5.744   4.016
   67    H    LYS   7           H        LYS   7  11.907  -1.620  -0.282
   68    HA   LYS   7           HA       LYS   7  13.610  -2.582  -2.295
   69   1HB   LYS   7          1HB       LYS   7  11.024  -2.493  -1.981
   70   2HB   LYS   7          2HB       LYS   7  11.178  -0.967  -2.844
   71   1HG   LYS   7          1HG       LYS   7  12.645  -2.420  -4.502
   72   2HG   LYS   7          2HG       LYS   7  11.696  -3.741  -3.822
   73   1HD   LYS   7          1HD       LYS   7  10.028  -1.442  -4.479
   74   2HD   LYS   7          2HD       LYS   7  10.898  -2.046  -5.888
   75   1HE   LYS   7          1HE       LYS   7  10.005  -4.274  -5.582
   76   2HE   LYS   7          2HE       LYS   7   9.302  -3.825  -4.015
   77   1HZ   LYS   7          1HZ       LYS   7   7.968  -2.148  -5.127
   78   2HZ   LYS   7          2HZ       LYS   7   8.632  -2.580  -6.630
   79   3HZ   LYS   7          3HZ       LYS   7   7.650  -3.678  -5.785
   80    H    ALA   8           H        ALA   8  12.810   0.715  -1.360
   81    HA   ALA   8           HA       ALA   8  13.842   1.998  -3.707
   82   1HB   ALA   8          1HB       ALA   8  13.262   2.863  -0.865
   83   2HB   ALA   8          2HB       ALA   8  13.761   3.993  -2.123
   84   3HB   ALA   8          3HB       ALA   8  12.244   3.108  -2.283
   85    H    LYS   9           H        LYS   9  15.202   2.918  -0.621
   86    HA   LYS   9           HA       LYS   9  17.728   3.516  -1.253
   87   1HB   LYS   9          1HB       LYS   9  16.315   2.416   1.037
   88   2HB   LYS   9          2HB       LYS   9  18.015   1.938   1.051
   89   1HG   LYS   9          1HG       LYS   9  18.672   4.023   1.599
   90   2HG   LYS   9          2HG       LYS   9  17.720   4.728   0.292
   91   1HD   LYS   9          1HD       LYS   9  16.456   5.604   1.966
   92   2HD   LYS   9          2HD       LYS   9  15.758   3.986   2.059
   93   1HE   LYS   9          1HE       LYS   9  17.587   3.391   3.717
   94   2HE   LYS   9          2HE       LYS   9  18.014   5.114   3.748
   95   1HZ   LYS   9          1HZ       LYS   9  15.607   5.559   4.175
   96   2HZ   LYS   9          2HZ       LYS   9  15.393   3.892   4.418
   97   3HZ   LYS   9          3HZ       LYS   9  16.411   4.774   5.448
   98    H    LYS  10           H        LYS  10  16.718   0.104  -0.702
   99    HA   LYS  10           HA       LYS  10  19.039  -1.316  -0.922
  100   1HB   LYS  10          1HB       LYS  10  16.266  -1.624  -1.887
  101   2HB   LYS  10          2HB       LYS  10  17.437  -2.666  -2.695
  102   1HG   LYS  10          1HG       LYS  10  18.288  -3.151  -0.265
  103   2HG   LYS  10          2HG       LYS  10  16.694  -2.568   0.213
  104   1HD   LYS  10          1HD       LYS  10  16.429  -4.916  -0.058
  105   2HD   LYS  10          2HD       LYS  10  15.749  -4.207  -1.524
  106   1HE   LYS  10          1HE       LYS  10  17.370  -5.119  -2.851
  107   2HE   LYS  10          2HE       LYS  10  18.650  -4.768  -1.674
  108   1HZ   LYS  10          1HZ       LYS  10  16.581  -6.857  -1.272
  109   2HZ   LYS  10          2HZ       LYS  10  18.117  -7.182  -1.915
  110   3HZ   LYS  10          3HZ       LYS  10  17.969  -6.587  -0.330
  111    H    LEU  11           H        LEU  11  17.285  -0.156  -3.835
  112    HA   LEU  11           HA       LEU  11  19.687  -0.593  -5.467
  113   1HB   LEU  11          1HB       LEU  11  16.768  -0.039  -5.915
  114   2HB   LEU  11          2HB       LEU  11  17.916   0.096  -7.244
  115    HG   LEU  11           HG       LEU  11  18.477  -2.193  -7.150
  116   1HD1  LEU  11          1HD1      LEU  11  17.065  -2.311  -4.472
  117   2HD1  LEU  11          2HD1      LEU  11  17.816  -3.678  -5.292
  118   3HD1  LEU  11          3HD1      LEU  11  18.812  -2.342  -4.710
  119   1HD2  LEU  11          1HD2      LEU  11  15.958  -1.472  -7.677
  120   2HD2  LEU  11          2HD2      LEU  11  16.461  -3.162  -7.705
  121   3HD2  LEU  11          3HD2      LEU  11  15.641  -2.510  -6.286
  122    H    ILE  12           H        ILE  12  17.928   1.980  -3.970
  123    HA   ILE  12           HA       ILE  12  19.552   4.009  -5.369
  124    HB   ILE  12           HB       ILE  12  17.563   5.368  -5.490
  125   1HG1  ILE  12          1HG1      ILE  12  15.948   3.143  -4.281
  126   2HG1  ILE  12          2HG1      ILE  12  16.737   4.293  -3.212
  127   1HG2  ILE  12          1HG2      ILE  12  17.871   3.645  -7.240
  128   2HG2  ILE  12          2HG2      ILE  12  16.971   2.494  -6.252
  129   3HG2  ILE  12          3HG2      ILE  12  16.160   3.916  -6.906
  130   1HD1  ILE  12          1HD1      ILE  12  15.549   5.727  -5.372
  131   2HD1  ILE  12          2HD1      ILE  12  14.330   4.662  -4.667
  132   3HD1  ILE  12          3HD1      ILE  12  15.175   5.834  -3.652
  133    H    GLU  13           H        GLU  13  20.311   2.939  -2.891
  134    HA   GLU  13           HA       GLU  13  19.273   4.128  -0.597
  135   1HB   GLU  13          1HB       GLU  13  21.886   3.053  -1.476
  136   2HB   GLU  13          2HB       GLU  13  21.842   3.949   0.053
  137   1HG   GLU  13          1HG       GLU  13  19.524   2.437   0.101
  138   2HG   GLU  13          2HG       GLU  13  20.712   1.358  -0.593
  Start of MODEL    7
    1   1H    TYR   1          1H        TYR   1   5.598   1.124   3.170
    2   2H    TYR   1          2H        TYR   1   5.189  -0.134   4.234
    3   3H    TYR   1          3H        TYR   1   4.461   1.390   4.402
    4    HA   TYR   1           HA       TYR   1   6.475   2.386   5.131
    5   1HB   TYR   1          1HB       TYR   1   6.363  -0.335   6.449
    6   2HB   TYR   1          2HB       TYR   1   6.614   1.239   7.214
    7    HD1  TYR   1           HD1      TYR   1   4.151  -0.960   5.552
    8    HD2  TYR   1           HD2      TYR   1   4.748   2.634   7.820
    9    HE1  TYR   1           HE1      TYR   1   1.716  -0.780   5.892
   10    HE2  TYR   1           HE2      TYR   1   2.302   2.814   8.169
   11    HH   TYR   1           HH       TYR   1   0.282   2.029   7.503
   12    H    LEU   2           H        LEU   2   8.128  -0.334   6.157
   13    HA   LEU   2           HA       LEU   2  10.418   0.215   4.685
   14   1HB   LEU   2          1HB       LEU   2   9.361  -2.101   6.196
   15   2HB   LEU   2          2HB       LEU   2  10.948  -2.200   5.421
   16    HG   LEU   2           HG       LEU   2  10.960   0.301   6.558
   17   1HD1  LEU   2          1HD1      LEU   2   8.854  -0.981   7.778
   18   2HD1  LEU   2          2HD1      LEU   2  10.181  -1.251   8.908
   19   3HD1  LEU   2          3HD1      LEU   2   9.741   0.391   8.438
   20   1HD2  LEU   2          1HD2      LEU   2  12.479  -1.988   6.651
   21   2HD2  LEU   2          2HD2      LEU   2  12.833  -0.519   7.561
   22   3HD2  LEU   2          3HD2      LEU   2  11.952  -1.841   8.327
   23    H    ARG   3           H        ARG   3   7.549  -1.361   3.682
   24    HA   ARG   3           HA       ARG   3   8.578  -3.096   1.701
   25   1HB   ARG   3          1HB       ARG   3   6.063  -1.523   2.186
   26   2HB   ARG   3          2HB       ARG   3   6.264  -2.340   0.636
   27   1HG   ARG   3          1HG       ARG   3   5.132  -3.872   2.105
   28   2HG   ARG   3          2HG       ARG   3   6.788  -4.449   1.916
   29   1HD   ARG   3          1HD       ARG   3   6.245  -2.552   4.149
   30   2HD   ARG   3          2HD       ARG   3   5.687  -4.225   4.334
   31    HE   ARG   3           HE       ARG   3   8.494  -3.719   3.452
   32   1HH1  ARG   3          1HH1      ARG   3   7.995  -3.401   6.428
   33   2HH1  ARG   3          2HH1      ARG   3   8.350  -4.994   7.006
   34   1HH2  ARG   3          1HH2      ARG   3   8.178  -6.460   3.871
   35   2HH2  ARG   3          2HH2      ARG   3   8.453  -6.724   5.560
   36    H    ARG   4           H        ARG   4   7.830   0.388   1.693
   37    HA   ARG   4           HA       ARG   4   8.982   0.642  -0.993
   38   1HB   ARG   4          1HB       ARG   4   7.815   2.668  -1.096
   39   2HB   ARG   4          2HB       ARG   4   6.795   1.718  -0.020
   40   1HG   ARG   4          1HG       ARG   4   8.664   2.857   1.699
   41   2HG   ARG   4          2HG       ARG   4   8.331   4.142   0.542
   42   1HD   ARG   4          1HD       ARG   4   6.116   4.336   1.193
   43   2HD   ARG   4          2HD       ARG   4   5.998   2.624   1.653
   44    HE   ARG   4           HE       ARG   4   7.424   3.174   3.642
   45   1HH1  ARG   4          1HH1      ARG   4   6.941   5.946   1.769
   46   2HH1  ARG   4          2HH1      ARG   4   6.549   6.983   3.101
   47   1HH2  ARG   4          1HH2      ARG   4   6.482   4.413   5.426
   48   2HH2  ARG   4          2HH2      ARG   4   6.294   6.116   5.170
   49    H    PHE   5           H        PHE   5   9.848   1.232   2.303
   50    HA   PHE   5           HA       PHE   5  11.935   3.126   1.787
   51   1HB   PHE   5          1HB       PHE   5  11.288   3.382   3.928
   52   2HB   PHE   5          2HB       PHE   5  10.465   1.847   3.922
   53    HD1  PHE   5           HD1      PHE   5  12.082  -0.266   3.922
   54    HD2  PHE   5           HD2      PHE   5  13.101   3.633   5.408
   55    HE1  PHE   5           HE1      PHE   5  13.856  -1.271   5.351
   56    HE2  PHE   5           HE2      PHE   5  14.875   2.634   6.831
   57    HZ   PHE   5           HZ       PHE   5  15.253   0.181   6.800
   58    H    PHE   6           H        PHE   6  11.571  -0.277   1.730
   59    HA   PHE   6           HA       PHE   6  14.436  -0.844   2.071
   60   1HB   PHE   6          1HB       PHE   6  12.298  -2.078   2.933
   61   2HB   PHE   6          2HB       PHE   6  12.343  -2.811   1.337
   62    HD1  PHE   6           HD1      PHE   6  13.223  -4.977   1.506
   63    HD2  PHE   6           HD2      PHE   6  15.047  -1.761   3.695
   64    HE1  PHE   6           HE1      PHE   6  15.027  -6.507   2.252
   65    HE2  PHE   6           HE2      PHE   6  16.850  -3.291   4.441
   66    HZ   PHE   6           HZ       PHE   6  16.840  -5.664   3.719
   67    H    LYS   7           H        LYS   7  11.929  -1.650  -0.346
   68    HA   LYS   7           HA       LYS   7  13.609  -2.535  -2.397
   69   1HB   LYS   7          1HB       LYS   7  11.024  -2.446  -2.045
   70   2HB   LYS   7          2HB       LYS   7  11.174  -0.914  -2.896
   71   1HG   LYS   7          1HG       LYS   7  11.999  -1.925  -4.856
   72   2HG   LYS   7          2HG       LYS   7  12.437  -3.405  -4.003
   73   1HD   LYS   7          1HD       LYS   7  10.476  -4.046  -5.102
   74   2HD   LYS   7          2HD       LYS   7   9.867  -3.571  -3.516
   75   1HE   LYS   7          1HE       LYS   7   9.594  -1.200  -4.581
   76   2HE   LYS   7          2HE       LYS   7   9.687  -2.071  -6.125
   77   1HZ   LYS   7          1HZ       LYS   7   8.065  -3.687  -4.901
   78   2HZ   LYS   7          2HZ       LYS   7   7.698  -2.309  -3.978
   79   3HZ   LYS   7          3HZ       LYS   7   7.467  -2.288  -5.657
   80    H    ALA   8           H        ALA   8  12.858   0.724  -1.333
   81    HA   ALA   8           HA       ALA   8  13.875   2.058  -3.671
   82   1HB   ALA   8          1HB       ALA   8  12.935   2.720  -0.924
   83   2HB   ALA   8          2HB       ALA   8  13.944   3.921  -1.731
   84   3HB   ALA   8          3HB       ALA   8  12.431   3.400  -2.471
   85    H    LYS   9           H        LYS   9  15.206   2.935  -0.560
   86    HA   LYS   9           HA       LYS   9  17.740   3.523  -1.159
   87   1HB   LYS   9          1HB       LYS   9  16.314   2.334   1.105
   88   2HB   LYS   9          2HB       LYS   9  18.044   1.976   1.136
   89   1HG   LYS   9          1HG       LYS   9  18.499   4.080   1.795
   90   2HG   LYS   9          2HG       LYS   9  17.659   4.729   0.386
   91   1HD   LYS   9          1HD       LYS   9  16.288   5.609   2.003
   92   2HD   LYS   9          2HD       LYS   9  15.522   4.025   1.872
   93   1HE   LYS   9          1HE       LYS   9  17.591   3.548   3.658
   94   2HE   LYS   9          2HE       LYS   9  17.031   5.170   4.114
   95   1HZ   LYS   9          1HZ       LYS   9  14.709   4.016   3.647
   96   2HZ   LYS   9          2HZ       LYS   9  15.576   2.637   4.119
   97   3HZ   LYS   9          3HZ       LYS   9  15.449   3.962   5.176
   98    H    LYS  10           H        LYS  10  16.696   0.126  -0.634
   99    HA   LYS  10           HA       LYS  10  18.973  -1.348  -0.865
  100   1HB   LYS  10          1HB       LYS  10  16.242  -1.570  -2.071
  101   2HB   LYS  10          2HB       LYS  10  17.455  -2.766  -2.528
  102   1HG   LYS  10          1HG       LYS  10  17.050  -2.099   0.375
  103   2HG   LYS  10          2HG       LYS  10  15.942  -3.212  -0.429
  104   1HD   LYS  10          1HD       LYS  10  17.562  -4.696   0.327
  105   2HD   LYS  10          2HD       LYS  10  18.182  -4.328  -1.283
  106   1HE   LYS  10          1HE       LYS  10  19.885  -2.950  -0.460
  107   2HE   LYS  10          2HE       LYS  10  19.014  -2.613   1.050
  108   1HZ   LYS  10          1HZ       LYS  10  19.174  -5.137   1.397
  109   2HZ   LYS  10          2HZ       LYS  10  20.420  -5.082   0.244
  110   3HZ   LYS  10          3HZ       LYS  10  20.562  -4.202   1.687
  111    H    LEU  11           H        LEU  11  17.270  -0.162  -3.811
  112    HA   LEU  11           HA       LEU  11  19.740  -0.609  -5.354
  113   1HB   LEU  11          1HB       LEU  11  17.143   0.325  -6.508
  114   2HB   LEU  11          2HB       LEU  11  18.334  -0.773  -7.201
  115    HG   LEU  11           HG       LEU  11  16.364  -1.364  -4.977
  116   1HD1  LEU  11          1HD1      LEU  11  15.625  -1.467  -7.385
  117   2HD1  LEU  11          2HD1      LEU  11  16.837  -2.724  -7.637
  118   3HD1  LEU  11          3HD1      LEU  11  15.498  -3.000  -6.521
  119   1HD2  LEU  11          1HD2      LEU  11  18.852  -2.311  -4.838
  120   2HD2  LEU  11          2HD2      LEU  11  17.471  -3.347  -4.486
  121   3HD2  LEU  11          3HD2      LEU  11  18.251  -3.422  -6.066
  122    H    ILE  12           H        ILE  12  17.937   1.953  -3.949
  123    HA   ILE  12           HA       ILE  12  19.503   3.974  -5.422
  124    HB   ILE  12           HB       ILE  12  17.501   5.304  -5.546
  125   1HG1  ILE  12          1HG1      ILE  12  15.872   3.155  -4.250
  126   2HG1  ILE  12          2HG1      ILE  12  16.770   4.241  -3.198
  127   1HG2  ILE  12          1HG2      ILE  12  17.850   2.874  -6.823
  128   2HG2  ILE  12          2HG2      ILE  12  16.210   2.753  -6.189
  129   3HG2  ILE  12          3HG2      ILE  12  16.647   4.088  -7.257
  130   1HD1  ILE  12          1HD1      ILE  12  15.795   6.114  -4.721
  131   2HD1  ILE  12          2HD1      ILE  12  14.593   4.897  -5.149
  132   3HD1  ILE  12          3HD1      ILE  12  14.772   5.406  -3.468
  133    H    GLU  13           H        GLU  13  20.279   2.929  -2.909
  134    HA   GLU  13           HA       GLU  13  19.280   4.227  -0.653
  135   1HB   GLU  13          1HB       GLU  13  21.841   3.016  -1.497
  136   2HB   GLU  13          2HB       GLU  13  21.864   3.995  -0.021
  137   1HG   GLU  13          1HG       GLU  13  19.479   2.572   0.118
  138   2HG   GLU  13          2HG       GLU  13  20.645   1.417  -0.482
  Start of MODEL    8
    1   1H    TYR   1          1H        TYR   1   5.798   1.231   3.592
    2   2H    TYR   1          2H        TYR   1   5.374   0.054   4.741
    3   3H    TYR   1          3H        TYR   1   4.713   1.616   4.837
    4    HA   TYR   1           HA       TYR   1   6.759   2.566   5.474
    5   1HB   TYR   1          1HB       TYR   1   6.867  -0.027   6.973
    6   2HB   TYR   1          2HB       TYR   1   6.796   1.618   7.607
    7    HD1  TYR   1           HD1      TYR   1   4.902  -1.260   6.388
    8    HD2  TYR   1           HD2      TYR   1   4.616   2.791   7.779
    9    HE1  TYR   1           HE1      TYR   1   2.467  -1.545   6.699
   10    HE2  TYR   1           HE2      TYR   1   2.172   2.507   8.095
   11    HH   TYR   1           HH       TYR   1   0.359   1.074   7.227
   12    H    LEU   2           H        LEU   2   8.560   0.046   6.577
   13    HA   LEU   2           HA       LEU   2  10.717   0.442   4.914
   14   1HB   LEU   2          1HB       LEU   2   9.736  -1.767   6.617
   15   2HB   LEU   2          2HB       LEU   2  11.242  -1.971   5.712
   16    HG   LEU   2           HG       LEU   2  11.433   0.586   6.711
   17   1HD1  LEU   2          1HD1      LEU   2   9.692  -1.031   8.426
   18   2HD1  LEU   2          2HD1      LEU   2  11.062  -0.313   9.274
   19   3HD1  LEU   2          3HD1      LEU   2   9.937   0.715   8.388
   20   1HD2  LEU   2          1HD2      LEU   2  12.946  -1.655   6.692
   21   2HD2  LEU   2          2HD2      LEU   2  13.353  -0.245   7.670
   22   3HD2  LEU   2          3HD2      LEU   2  12.514  -1.613   8.401
   23    H    ARG   3           H        ARG   3   7.785  -1.219   4.190
   24    HA   ARG   3           HA       ARG   3   8.665  -3.060   2.253
   25   1HB   ARG   3          1HB       ARG   3   6.207  -1.269   2.304
   26   2HB   ARG   3          2HB       ARG   3   6.369  -2.735   1.332
   27   1HG   ARG   3          1HG       ARG   3   6.353  -2.534   4.355
   28   2HG   ARG   3          2HG       ARG   3   5.164  -3.339   3.331
   29   1HD   ARG   3          1HD       ARG   3   6.438  -5.186   3.910
   30   2HD   ARG   3          2HD       ARG   3   7.387  -4.643   2.511
   31    HE   ARG   3           HE       ARG   3   8.960  -3.589   4.032
   32   1HH1  ARG   3          1HH2      ARG   3   8.379  -6.379   5.236
   33   2HH1  ARG   3          2HH2      ARG   3   8.243  -5.972   6.914
   34   1HH2  ARG   3          1HH1      ARG   3   7.927  -2.569   6.336
   35   2HH2  ARG   3          2HH1      ARG   3   7.992  -3.816   7.536
   36    H    ARG   4           H        ARG   4   7.915   0.417   1.983
   37    HA   ARG   4           HA       ARG   4   8.992   0.440  -0.745
   38   1HB   ARG   4          1HB       ARG   4   8.082   2.747  -0.755
   39   2HB   ARG   4          2HB       ARG   4   6.868   1.576  -0.236
   40   1HG   ARG   4          1HG       ARG   4   6.640   2.688   1.700
   41   2HG   ARG   4          2HG       ARG   4   8.331   2.348   2.068
   42   1HD   ARG   4          1HD       ARG   4   8.480   4.418   0.205
   43   2HD   ARG   4          2HD       ARG   4   7.113   4.868   1.245
   44    HE   ARG   4           HE       ARG   4   9.136   3.894   2.956
   45   1HH1  ARG   4          1HH1      ARG   4   8.618   6.460   0.699
   46   2HH1  ARG   4          2HH1      ARG   4   9.679   7.560   1.512
   47   1HH2  ARG   4          1HH2      ARG   4  10.528   5.318   4.015
   48   2HH2  ARG   4          2HH2      ARG   4  10.766   6.912   3.381
   49    H    PHE   5           H        PHE   5   9.931   1.324   2.472
   50    HA   PHE   5           HA       PHE   5  11.984   3.179   1.743
   51   1HB   PHE   5          1HB       PHE   5  11.440   3.540   3.895
   52   2HB   PHE   5          2HB       PHE   5  10.670   1.984   4.027
   53    HD1  PHE   5           HD1      PHE   5  12.364  -0.080   4.050
   54    HD2  PHE   5           HD2      PHE   5  13.329   3.935   5.240
   55    HE1  PHE   5           HE1      PHE   5  14.258  -0.936   5.423
   56    HE2  PHE   5           HE2      PHE   5  15.220   3.082   6.602
   57    HZ   PHE   5           HZ       PHE   5  15.686   0.647   6.692
   58    H    PHE   6           H        PHE   6  11.633  -0.214   1.773
   59    HA   PHE   6           HA       PHE   6  14.514  -0.780   1.997
   60   1HB   PHE   6          1HB       PHE   6  12.439  -1.996   2.990
   61   2HB   PHE   6          2HB       PHE   6  12.343  -2.717   1.394
   62    HD1  PHE   6           HD1      PHE   6  12.757  -4.549   3.565
   63    HD2  PHE   6           HD2      PHE   6  15.661  -2.163   1.481
   64    HE1  PHE   6           HE1      PHE   6  14.531  -6.165   4.185
   65    HE2  PHE   6           HE2      PHE   6  17.434  -3.781   2.102
   66    HZ   PHE   6           HZ       PHE   6  16.869  -5.782   3.454
   67    H    LYS   7           H        LYS   7  11.921  -1.762  -0.247
   68    HA   LYS   7           HA       LYS   7  13.413  -2.613  -2.414
   69   1HB   LYS   7          1HB       LYS   7  10.953  -2.679  -2.116
   70   2HB   LYS   7          2HB       LYS   7  10.918  -0.951  -2.437
   71   1HG   LYS   7          1HG       LYS   7  11.625  -1.228  -4.684
   72   2HG   LYS   7          2HG       LYS   7  12.136  -2.891  -4.394
   73   1HD   LYS   7          1HD       LYS   7   9.989  -3.718  -4.504
   74   2HD   LYS   7          2HD       LYS   7   9.275  -2.237  -3.865
   75   1HE   LYS   7          1HE       LYS   7   8.666  -2.442  -6.225
   76   2HE   LYS   7          2HE       LYS   7   9.832  -1.112  -6.062
   77   1HZ   LYS   7          1HZ       LYS   7  11.526  -3.083  -6.314
   78   2HZ   LYS   7          2HZ       LYS   7  10.233  -3.810  -7.139
   79   3HZ   LYS   7          3HZ       LYS   7  10.859  -2.326  -7.682
   80    H    ALA   8           H        ALA   8  12.868   0.693  -1.329
   81    HA   ALA   8           HA       ALA   8  13.868   1.906  -3.763
   82   1HB   ALA   8          1HB       ALA   8  12.891   2.740  -1.074
   83   2HB   ALA   8          2HB       ALA   8  13.904   3.886  -1.950
   84   3HB   ALA   8          3HB       ALA   8  12.398   3.313  -2.667
   85    H    LYS   9           H        LYS   9  15.148   2.898  -0.654
   86    HA   LYS   9           HA       LYS   9  17.674   3.521  -1.217
   87   1HB   LYS   9          1HB       LYS   9  16.233   2.356   1.035
   88   2HB   LYS   9          2HB       LYS   9  17.952   1.956   1.084
   89   1HG   LYS   9          1HG       LYS   9  18.426   4.038   1.787
   90   2HG   LYS   9          2HG       LYS   9  17.696   4.704   0.327
   91   1HD   LYS   9          1HD       LYS   9  15.556   3.872   1.990
   92   2HD   LYS   9          2HD       LYS   9  16.682   4.758   3.019
   93   1HE   LYS   9          1HE       LYS   9  16.127   5.965   0.351
   94   2HE   LYS   9          2HE       LYS   9  14.809   6.019   1.537
   95   1HZ   LYS   9          1HZ       LYS   9  17.282   6.549   2.807
   96   2HZ   LYS   9          2HZ       LYS   9  17.088   7.607   1.494
   97   3HZ   LYS   9          3HZ       LYS   9  15.903   7.537   2.710
   98    H    LYS  10           H        LYS  10  16.712   0.092  -0.674
   99    HA   LYS  10           HA       LYS  10  19.051  -1.294  -0.864
  100   1HB   LYS  10          1HB       LYS  10  16.584  -2.055  -0.944
  101   2HB   LYS  10          2HB       LYS  10  16.739  -1.934  -2.698
  102   1HG   LYS  10          1HG       LYS  10  17.293  -4.185  -2.233
  103   2HG   LYS  10          2HG       LYS  10  18.857  -3.389  -2.417
  104   1HD   LYS  10          1HD       LYS  10  18.888  -3.065   0.089
  105   2HD   LYS  10          2HD       LYS  10  17.455  -4.090   0.175
  106   1HE   LYS  10          1HE       LYS  10  18.952  -5.739  -1.283
  107   2HE   LYS  10          2HE       LYS  10  20.274  -4.838  -0.513
  108   1HZ   LYS  10          1HZ       LYS  10  18.048  -5.550   1.212
  109   2HZ   LYS  10          2HZ       LYS  10  18.995  -6.853   0.681
  110   3HZ   LYS  10          3HZ       LYS  10  19.716  -5.569   1.529
  111    H    LEU  11           H        LEU  11  17.322  -0.208  -3.826
  112    HA   LEU  11           HA       LEU  11  19.773  -0.591  -5.391
  113   1HB   LEU  11          1HB       LEU  11  16.846  -0.162  -5.900
  114   2HB   LEU  11          2HB       LEU  11  18.007   0.018  -7.213
  115    HG   LEU  11           HG       LEU  11  18.615  -2.231  -7.160
  116   1HD1  LEU  11          1HD1      LEU  11  19.092  -2.274  -4.703
  117   2HD1  LEU  11          2HD1      LEU  11  17.367  -2.503  -4.413
  118   3HD1  LEU  11          3HD1      LEU  11  18.288  -3.735  -5.277
  119   1HD2  LEU  11          1HD2      LEU  11  16.063  -1.709  -7.578
  120   2HD2  LEU  11          2HD2      LEU  11  16.621  -3.378  -7.492
  121   3HD2  LEU  11          3HD2      LEU  11  15.847  -2.635  -6.094
  122    H    ILE  12           H        ILE  12  17.953   1.957  -3.942
  123    HA   ILE  12           HA       ILE  12  19.539   4.000  -5.367
  124    HB   ILE  12           HB       ILE  12  17.534   5.334  -5.494
  125   1HG1  ILE  12          1HG1      ILE  12  15.905   3.131  -4.280
  126   2HG1  ILE  12          2HG1      ILE  12  16.753   4.225  -3.196
  127   1HG2  ILE  12          1HG2      ILE  12  17.858   3.584  -7.219
  128   2HG2  ILE  12          2HG2      ILE  12  16.946   2.451  -6.221
  129   3HG2  ILE  12          3HG2      ILE  12  16.148   3.870  -6.900
  130   1HD1  ILE  12          1HD1      ILE  12  15.717   5.974  -5.008
  131   2HD1  ILE  12          2HD1      ILE  12  14.448   4.750  -4.941
  132   3HD1  ILE  12          3HD1      ILE  12  14.958   5.573  -3.466
  133    H    GLU  13           H        GLU  13  20.296   2.943  -2.867
  134    HA   GLU  13           HA       GLU  13  19.231   4.178  -0.606
  135   1HB   GLU  13          1HB       GLU  13  21.843   3.042  -1.415
  136   2HB   GLU  13          2HB       GLU  13  21.795   3.977   0.089
  137   1HG   GLU  13          1HG       GLU  13  19.449   2.508   0.144
  138   2HG   GLU  13          2HG       GLU  13  20.628   1.390  -0.503
  Start of MODEL    9
    1   1H    TYR   1          1H        TYR   1   5.640   1.498   3.410
    2   2H    TYR   1          2H        TYR   1   5.235   0.392   4.633
    3   3H    TYR   1          3H        TYR   1   4.577   1.959   4.649
    4    HA   TYR   1           HA       TYR   1   6.662   2.938   5.162
    5   1HB   TYR   1          1HB       TYR   1   6.574   0.427   6.832
    6   2HB   TYR   1          2HB       TYR   1   6.809   2.095   7.365
    7    HD1  TYR   1           HD1      TYR   1   4.917   3.523   7.827
    8    HD2  TYR   1           HD2      TYR   1   4.365  -0.371   6.112
    9    HE1  TYR   1           HE1      TYR   1   2.478   3.685   8.238
   10    HE2  TYR   1           HE2      TYR   1   1.937  -0.213   6.517
   11    HH   TYR   1           HH       TYR   1   0.420   2.745   7.481
   12    H    LEU   2           H        LEU   2   8.287   0.320   6.444
   13    HA   LEU   2           HA       LEU   2  10.524   0.567   4.856
   14   1HB   LEU   2          1HB       LEU   2   9.379  -1.542   6.582
   15   2HB   LEU   2          2HB       LEU   2  10.913  -1.829   5.751
   16    HG   LEU   2           HG       LEU   2  11.151   0.753   6.688
   17   1HD1  LEU   2          1HD1      LEU   2   9.315  -0.786   8.392
   18   2HD1  LEU   2          2HD1      LEU   2  10.661  -0.040   9.255
   19   3HD1  LEU   2          3HD1      LEU   2   9.573   0.954   8.287
   20   1HD2  LEU   2          1HD2      LEU   2  12.624  -1.486   6.761
   21   2HD2  LEU   2          2HD2      LEU   2  12.987  -0.106   7.797
   22   3HD2  LEU   2          3HD2      LEU   2  12.086  -1.479   8.440
   23    H    ARG   3           H        ARG   3   7.548  -0.983   4.089
   24    HA   ARG   3           HA       ARG   3   8.433  -2.900   2.208
   25   1HB   ARG   3          1HB       ARG   3   5.994  -1.100   2.344
   26   2HB   ARG   3          2HB       ARG   3   6.144  -2.443   1.203
   27   1HG   ARG   3          1HG       ARG   3   6.108  -2.584   4.229
   28   2HG   ARG   3          2HG       ARG   3   4.956  -3.303   3.103
   29   1HD   ARG   3          1HD       ARG   3   6.264  -5.175   3.504
   30   2HD   ARG   3          2HD       ARG   3   7.224  -4.464   2.193
   31    HE   ARG   3           HE       ARG   3   8.763  -3.575   3.847
   32   1HH1  ARG   3          1HH1      ARG   3   6.988  -2.952   6.104
   33   2HH1  ARG   3          2HH1      ARG   3   7.328  -4.219   7.236
   34   1HH2  ARG   3          1HH2      ARG   3   8.846  -6.272   4.888
   35   2HH2  ARG   3          2HH2      ARG   3   8.377  -6.100   6.547
   36    H    ARG   4           H        ARG   4   7.746   0.580   1.870
   37    HA   ARG   4           HA       ARG   4   8.862   0.532  -0.841
   38   1HB   ARG   4          1HB       ARG   4   7.778   2.613  -1.101
   39   2HB   ARG   4          2HB       ARG   4   6.710   1.725  -0.016
   40   1HG   ARG   4          1HG       ARG   4   8.599   2.933   1.668
   41   2HG   ARG   4          2HG       ARG   4   8.193   4.169   0.479
   42   1HD   ARG   4          1HD       ARG   4   5.985   4.290   1.162
   43   2HD   ARG   4          2HD       ARG   4   5.948   2.593   1.685
   44    HE   ARG   4           HE       ARG   4   7.573   3.389   3.541
   45   1HH1  ARG   4          1HH2      ARG   4   7.702   6.239   2.828
   46   2HH1  ARG   4          2HH2      ARG   4   6.455   6.947   3.801
   47   1HH2  ARG   4          1HH1      ARG   4   4.881   3.927   4.451
   48   2HH2  ARG   4          2HH1      ARG   4   4.861   5.638   4.721
   49    H    PHE   5           H        PHE   5   9.821   1.357   2.359
   50    HA   PHE   5           HA       PHE   5  11.914   3.190   1.656
   51   1HB   PHE   5          1HB       PHE   5  11.311   3.601   3.785
   52   2HB   PHE   5          2HB       PHE   5  10.500   2.070   3.918
   53    HD1  PHE   5           HD1      PHE   5  13.145   3.971   5.212
   54    HD2  PHE   5           HD2      PHE   5  12.159  -0.033   4.009
   55    HE1  PHE   5           HE1      PHE   5  14.962   3.097   6.659
   56    HE2  PHE   5           HE2      PHE   5  13.980  -0.913   5.464
   57    HZ   PHE   5           HZ       PHE   5  15.379   0.653   6.786
   58    H    PHE   6           H        PHE   6  11.477  -0.193   1.732
   59    HA   PHE   6           HA       PHE   6  14.302  -0.858   2.140
   60   1HB   PHE   6          1HB       PHE   6  12.178  -2.035   2.969
   61   2HB   PHE   6          2HB       PHE   6  12.062  -2.654   1.333
   62    HD1  PHE   6           HD1      PHE   6  15.430  -2.283   1.622
   63    HD2  PHE   6           HD2      PHE   6  12.277  -4.686   3.280
   64    HE1  PHE   6           HE1      PHE   6  17.070  -4.056   2.176
   65    HE2  PHE   6           HE2      PHE   6  13.921  -6.458   3.833
   66    HZ   PHE   6           HZ       PHE   6  16.316  -6.143   3.281
   67    H    LYS   7           H        LYS   7  11.953  -1.860  -0.361
   68    HA   LYS   7           HA       LYS   7  13.718  -2.605  -2.362
   69   1HB   LYS   7          1HB       LYS   7  11.147  -2.648  -2.176
   70   2HB   LYS   7          2HB       LYS   7  11.236  -1.036  -2.875
   71   1HG   LYS   7          1HG       LYS   7  11.736  -1.822  -4.938
   72   2HG   LYS   7          2HG       LYS   7  12.889  -2.992  -4.295
   73   1HD   LYS   7          1HD       LYS   7  10.723  -4.225  -3.447
   74   2HD   LYS   7          2HD       LYS   7   9.931  -3.286  -4.712
   75   1HE   LYS   7          1HE       LYS   7  10.546  -5.183  -5.925
   76   2HE   LYS   7          2HE       LYS   7  11.992  -4.182  -6.165
   77   1HZ   LYS   7          1HZ       LYS   7  12.471  -5.281  -3.765
   78   2HZ   LYS   7          2HZ       LYS   7  11.640  -6.547  -4.530
   79   3HZ   LYS   7          3HZ       LYS   7  13.052  -5.914  -5.230
   80    H    ALA   8           H        ALA   8  12.840   0.635  -1.321
   81    HA   ALA   8           HA       ALA   8  13.864   2.032  -3.598
   82   1HB   ALA   8          1HB       ALA   8  13.168   2.699  -0.743
   83   2HB   ALA   8          2HB       ALA   8  13.862   3.922  -1.809
   84   3HB   ALA   8          3HB       ALA   8  12.320   3.169  -2.216
   85    H    LYS   9           H        LYS   9  15.260   2.894  -0.517
   86    HA   LYS   9           HA       LYS   9  17.774   3.507  -1.166
   87   1HB   LYS   9          1HB       LYS   9  16.412   2.289   1.120
   88   2HB   LYS   9          2HB       LYS   9  18.141   1.927   1.104
   89   1HG   LYS   9          1HG       LYS   9  18.564   4.001   1.867
   90   2HG   LYS   9          2HG       LYS   9  17.840   4.673   0.405
   91   1HD   LYS   9          1HD       LYS   9  15.569   4.251   1.572
   92   2HD   LYS   9          2HD       LYS   9  16.514   4.086   3.051
   93   1HE   LYS   9          1HE       LYS   9  17.307   6.331   2.924
   94   2HE   LYS   9          2HE       LYS   9  16.786   6.498   1.236
   95   1HZ   LYS   9          1HZ       LYS   9  14.938   5.914   3.486
   96   2HZ   LYS   9          2HZ       LYS   9  15.208   7.475   2.879
   97   3HZ   LYS   9          3HZ       LYS   9  14.517   6.285   1.882
   98    H    LYS  10           H        LYS  10  16.753   0.107  -0.671
   99    HA   LYS  10           HA       LYS  10  19.026  -1.366  -0.940
  100   1HB   LYS  10          1HB       LYS  10  16.525  -2.012  -0.997
  101   2HB   LYS  10          2HB       LYS  10  16.656  -1.849  -2.748
  102   1HG   LYS  10          1HG       LYS  10  17.366  -3.997  -2.739
  103   2HG   LYS  10          2HG       LYS  10  18.883  -3.363  -2.098
  104   1HD   LYS  10          1HD       LYS  10  17.922  -3.587   0.213
  105   2HD   LYS  10          2HD       LYS  10  16.525  -4.396  -0.499
  106   1HE   LYS  10          1HE       LYS  10  18.623  -5.779  -1.641
  107   2HE   LYS  10          2HE       LYS  10  19.226  -5.450  -0.004
  108   1HZ   LYS  10          1HZ       LYS  10  16.975  -6.144   0.806
  109   2HZ   LYS  10          2HZ       LYS  10  16.649  -6.714  -0.762
  110   3HZ   LYS  10          3HZ       LYS  10  17.910  -7.400   0.143
  111    H    LEU  11           H        LEU  11  17.285  -0.153  -3.845
  112    HA   LEU  11           HA       LEU  11  19.735  -0.541  -5.435
  113   1HB   LEU  11          1HB       LEU  11  17.084   0.361  -6.504
  114   2HB   LEU  11          2HB       LEU  11  18.286  -0.678  -7.265
  115    HG   LEU  11           HG       LEU  11  16.373  -1.384  -5.031
  116   1HD1  LEU  11          1HD1      LEU  11  16.535  -1.832  -7.894
  117   2HD1  LEU  11          2HD1      LEU  11  16.467  -3.357  -7.013
  118   3HD1  LEU  11          3HD1      LEU  11  15.198  -2.153  -6.789
  119   1HD2  LEU  11          1HD2      LEU  11  19.059  -2.334  -5.449
  120   2HD2  LEU  11          2HD2      LEU  11  17.890  -2.842  -4.229
  121   3HD2  LEU  11          3HD2      LEU  11  17.922  -3.635  -5.803
  122    H    ILE  12           H        ILE  12  17.924   1.962  -3.947
  123    HA   ILE  12           HA       ILE  12  19.430   4.039  -5.407
  124    HB   ILE  12           HB       ILE  12  17.406   5.341  -5.459
  125   1HG1  ILE  12          1HG1      ILE  12  15.833   3.149  -4.175
  126   2HG1  ILE  12          2HG1      ILE  12  16.747   4.210  -3.115
  127   1HG2  ILE  12          1HG2      ILE  12  16.849   2.439  -6.143
  128   2HG2  ILE  12          2HG2      ILE  12  15.935   3.820  -6.749
  129   3HG2  ILE  12          3HG2      ILE  12  17.626   3.615  -7.203
  130   1HD1  ILE  12          1HD1      ILE  12  15.537   5.862  -5.052
  131   2HD1  ILE  12          2HD1      ILE  12  14.286   4.757  -4.480
  132   3HD1  ILE  12          3HD1      ILE  12  15.161   5.770  -3.331
  133    H    GLU  13           H        GLU  13  20.288   2.944  -2.955
  134    HA   GLU  13           HA       GLU  13  19.330   4.141  -0.627
  135   1HB   GLU  13          1HB       GLU  13  21.875   2.996  -1.591
  136   2HB   GLU  13          2HB       GLU  13  21.946   3.940  -0.092
  137   1HG   GLU  13          1HG       GLU  13  19.583   2.478   0.103
  138   2HG   GLU  13          2HG       GLU  13  20.739   1.356  -0.571
  Start of MODEL   10
    1   1H    TYR   1          1H        TYR   1   5.792   1.427   3.519
    2   2H    TYR   1          2H        TYR   1   5.403   0.238   4.663
    3   3H    TYR   1          3H        TYR   1   4.737   1.795   4.799
    4    HA   TYR   1           HA       TYR   1   6.820   2.748   5.360
    5   1HB   TYR   1          1HB       TYR   1   6.793   0.134   6.859
    6   2HB   TYR   1          2HB       TYR   1   6.976   1.770   7.498
    7    HD1  TYR   1           HD1      TYR   1   5.045   3.098   8.072
    8    HD2  TYR   1           HD2      TYR   1   4.597  -0.686   6.097
    9    HE1  TYR   1           HE1      TYR   1   2.607   3.151   8.515
   10    HE2  TYR   1           HE2      TYR   1   2.168  -0.634   6.534
   11    HH   TYR   1           HH       TYR   1   0.421   0.912   7.034
   12    H    LEU   2           H        LEU   2   8.520   0.129   6.472
   13    HA   LEU   2           HA       LEU   2  10.698   0.490   4.818
   14   1HB   LEU   2          1HB       LEU   2   9.675  -1.719   6.504
   15   2HB   LEU   2          2HB       LEU   2  11.201  -1.909   5.631
   16    HG   LEU   2           HG       LEU   2  11.384   0.634   6.653
   17   1HD1  LEU   2          1HD1      LEU   2   9.324  -0.553   8.078
   18   2HD1  LEU   2          2HD1      LEU   2  10.726  -0.744   9.130
   19   3HD1  LEU   2          3HD1      LEU   2  10.252   0.861   8.574
   20   1HD2  LEU   2          1HD2      LEU   2  12.811  -1.716   6.754
   21   2HD2  LEU   2          2HD2      LEU   2  13.287  -0.226   7.570
   22   3HD2  LEU   2          3HD2      LEU   2  12.403  -1.473   8.452
   23    H    ARG   3           H        ARG   3   7.735  -1.109   4.092
   24    HA   ARG   3           HA       ARG   3   8.586  -2.948   2.139
   25   1HB   ARG   3          1HB       ARG   3   6.167  -1.297   2.748
   26   2HB   ARG   3          2HB       ARG   3   6.234  -2.085   1.172
   27   1HG   ARG   3          1HG       ARG   3   5.145  -3.585   2.728
   28   2HG   ARG   3          2HG       ARG   3   6.732  -4.241   2.331
   29   1HD   ARG   3          1HD       ARG   3   6.564  -2.402   4.667
   30   2HD   ARG   3          2HD       ARG   3   5.932  -4.047   4.868
   31    HE   ARG   3           HE       ARG   3   8.715  -3.455   3.919
   32   1HH1  ARG   3          1HH1      ARG   3   7.874  -4.365   6.776
   33   2HH1  ARG   3          2HH1      ARG   3   8.316  -6.037   6.701
   34   1HH2  ARG   3          1HH2      ARG   3   8.636  -6.072   3.248
   35   2HH2  ARG   3          2HH2      ARG   3   8.751  -7.003   4.704
   36    H    ARG   4           H        ARG   4   7.887   0.542   1.927
   37    HA   ARG   4           HA       ARG   4   8.939   0.581  -0.808
   38   1HB   ARG   4          1HB       ARG   4   7.851   2.677  -0.981
   39   2HB   ARG   4          2HB       ARG   4   6.793   1.730   0.064
   40   1HG   ARG   4          1HG       ARG   4   8.695   2.896   1.781
   41   2HG   ARG   4          2HG       ARG   4   8.226   4.173   0.661
   42   1HD   ARG   4          1HD       ARG   4   6.036   4.208   1.414
   43   2HD   ARG   4          2HD       ARG   4   6.048   2.483   1.834
   44    HE   ARG   4           HE       ARG   4   7.798   3.305   3.641
   45   1HH1  ARG   4          1HH1      ARG   4   4.553   3.960   3.265
   46   2HH1  ARG   4          2HH1      ARG   4   4.501   5.285   4.380
   47   1HH2  ARG   4          1HH2      ARG   4   7.945   5.446   4.759
   48   2HH2  ARG   4          2HH2      ARG   4   6.422   6.127   5.226
   49    H    PHE   5           H        PHE   5   9.941   1.380   2.403
   50    HA   PHE   5           HA       PHE   5  12.015   3.223   1.681
   51   1HB   PHE   5          1HB       PHE   5  11.455   3.604   3.826
   52   2HB   PHE   5          2HB       PHE   5  10.665   2.059   3.962
   53    HD1  PHE   5           HD1      PHE   5  13.358   3.981   5.168
   54    HD2  PHE   5           HD2      PHE   5  12.315  -0.025   4.018
   55    HE1  PHE   5           HE1      PHE   5  15.222   3.106   6.554
   56    HE2  PHE   5           HE2      PHE   5  14.182  -0.906   5.415
   57    HZ   PHE   5           HZ       PHE   5  15.633   0.662   6.677
   58    H    PHE   6           H        PHE   6  11.614  -0.166   1.740
   59    HA   PHE   6           HA       PHE   6  14.485  -0.761   2.004
   60   1HB   PHE   6          1HB       PHE   6  12.382  -1.956   2.989
   61   2HB   PHE   6          2HB       PHE   6  12.322  -2.708   1.403
   62    HD1  PHE   6           HD1      PHE   6  15.022  -3.163   0.611
   63    HD2  PHE   6           HD2      PHE   6  13.316  -3.431   4.544
   64    HE1  PHE   6           HE1      PHE   6  16.822  -4.729   1.284
   65    HE2  PHE   6           HE2      PHE   6  15.116  -4.998   5.217
   66    HZ   PHE   6           HZ       PHE   6  16.870  -5.647   3.588
   67    H    LYS   7           H        LYS   7  11.912  -1.745  -0.275
   68    HA   LYS   7           HA       LYS   7  13.480  -2.614  -2.389
   69   1HB   LYS   7          1HB       LYS   7  11.201  -2.951  -2.602
   70   2HB   LYS   7          2HB       LYS   7  10.832  -1.317  -2.068
   71   1HG   LYS   7          1HG       LYS   7  11.411  -0.376  -4.183
   72   2HG   LYS   7          2HG       LYS   7  12.193  -1.870  -4.706
   73   1HD   LYS   7          1HD       LYS   7   9.235  -1.620  -4.091
   74   2HD   LYS   7          2HD       LYS   7   9.922  -1.543  -5.714
   75   1HE   LYS   7          1HE       LYS   7  10.961  -3.824  -5.275
   76   2HE   LYS   7          2HE       LYS   7   9.973  -3.899  -3.803
   77   1HZ   LYS   7          1HZ       LYS   7   8.191  -3.040  -5.609
   78   2HZ   LYS   7          2HZ       LYS   7   9.156  -4.046  -6.580
   79   3HZ   LYS   7          3HZ       LYS   7   8.403  -4.674  -5.197
   80    H    ALA   8           H        ALA   8  12.863   0.672  -1.320
   81    HA   ALA   8           HA       ALA   8  13.876   1.951  -3.702
   82   1HB   ALA   8          1HB       ALA   8  12.911   2.680  -0.982
   83   2HB   ALA   8          2HB       ALA   8  13.944   3.855  -1.796
   84   3HB   ALA   8          3HB       ALA   8  12.437   3.337  -2.548
   85    H    LYS   9           H        LYS   9  15.167   2.810  -0.566
   86    HA   LYS   9           HA       LYS   9  17.693   3.464  -1.069
   87   1HB   LYS   9          1HB       LYS   9  16.764   1.537   1.086
   88   2HB   LYS   9          2HB       LYS   9  18.248   2.483   1.166
   89   1HG   LYS   9          1HG       LYS   9  15.424   3.577   1.050
   90   2HG   LYS   9          2HG       LYS   9  16.516   3.626   2.430
   91   1HD   LYS   9          1HD       LYS   9  18.115   4.822   0.670
   92   2HD   LYS   9          2HD       LYS   9  16.574   5.233  -0.086
   93   1HE   LYS   9          1HE       LYS   9  15.900   5.895   2.397
   94   2HE   LYS   9          2HE       LYS   9  17.656   6.077   2.580
   95   1HZ   LYS   9          1HZ       LYS   9  16.503   7.115   0.121
   96   2HZ   LYS   9          2HZ       LYS   9  16.111   7.971   1.535
   97   3HZ   LYS   9          3HZ       LYS   9  17.738   7.755   1.094
   98    H    LYS  10           H        LYS  10  16.783   0.020  -0.616
   99    HA   LYS  10           HA       LYS  10  19.102  -1.355  -0.911
  100   1HB   LYS  10          1HB       LYS  10  16.596  -2.062  -0.984
  101   2HB   LYS  10          2HB       LYS  10  16.788  -1.981  -2.735
  102   1HG   LYS  10          1HG       LYS  10  18.340  -3.727  -2.782
  103   2HG   LYS  10          2HG       LYS  10  18.800  -3.494  -1.095
  104   1HD   LYS  10          1HD       LYS  10  17.483  -5.438  -1.013
  105   2HD   LYS  10          2HD       LYS  10  16.344  -4.168  -0.567
  106   1HE   LYS  10          1HE       LYS  10  15.329  -4.164  -2.722
  107   2HE   LYS  10          2HE       LYS  10  16.672  -5.078  -3.439
  108   1HZ   LYS  10          1HZ       LYS  10  16.144  -6.878  -1.818
  109   2HZ   LYS  10          2HZ       LYS  10  14.726  -6.034  -1.411
  110   3HZ   LYS  10          3HZ       LYS  10  14.938  -6.622  -2.987
  111    H    LEU  11           H        LEU  11  17.324  -0.187  -3.815
  112    HA   LEU  11           HA       LEU  11  19.744  -0.565  -5.434
  113   1HB   LEU  11          1HB       LEU  11  16.811  -0.122  -5.884
  114   2HB   LEU  11          2HB       LEU  11  17.948   0.075  -7.216
  115    HG   LEU  11           HG       LEU  11  18.585  -2.184  -7.167
  116   1HD1  LEU  11          1HD1      LEU  11  18.998  -2.276  -4.712
  117   2HD1  LEU  11          2HD1      LEU  11  17.262  -2.455  -4.457
  118   3HD1  LEU  11          3HD1      LEU  11  18.162  -3.709  -5.309
  119   1HD2  LEU  11          1HD2      LEU  11  16.123  -1.698  -7.770
  120   2HD2  LEU  11          2HD2      LEU  11  16.561  -3.375  -7.448
  121   3HD2  LEU  11          3HD2      LEU  11  15.737  -2.425  -6.210
  122    H    ILE  12           H        ILE  12  17.917   1.982  -3.970
  123    HA   ILE  12           HA       ILE  12  19.508   4.025  -5.376
  124    HB   ILE  12           HB       ILE  12  17.490   5.357  -5.491
  125   1HG1  ILE  12          1HG1      ILE  12  15.973   3.054  -4.283
  126   2HG1  ILE  12          2HG1      ILE  12  16.660   4.296  -3.245
  127   1HG2  ILE  12          1HG2      ILE  12  17.982   3.343  -7.090
  128   2HG2  ILE  12          2HG2      ILE  12  16.624   2.583  -6.264
  129   3HG2  ILE  12          3HG2      ILE  12  16.388   4.098  -7.139
  130   1HD1  ILE  12          1HD1      ILE  12  15.160   5.200  -5.639
  131   2HD1  ILE  12          2HD1      ILE  12  14.217   4.551  -4.295
  132   3HD1  ILE  12          3HD1      ILE  12  15.278   5.939  -4.045
  133    H    GLU  13           H        GLU  13  20.298   2.975  -2.920
  134    HA   GLU  13           HA       GLU  13  19.261   4.087  -0.598
  135   1HB   GLU  13          1HB       GLU  13  21.931   3.199  -1.544
  136   2HB   GLU  13          2HB       GLU  13  21.828   4.013   0.026
  137   1HG   GLU  13          1HG       GLU  13  19.626   2.371   0.033
  138   2HG   GLU  13          2HG       GLU  13  20.833   1.399  -0.775