*HEADER    TOXIN                                   01-SEP-13   2MD6              
*TITLE     NMR SOLUTION STRUCTURE OF ALPHA CONOTOXIN LO1A FROM CONUS LONGURIONIS 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA CONOTOXIN LO1A;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS LONGURIONIS;                              
*SOURCE   4 ORGANISM_TAXID: 1077918                                              
*KEYWDS    TOXIN, CONOTOXIN, ALPHA CONOTOXIN                                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    15                                                                    
*AUTHOR    M.MAITI, E.LESCRINIER, P.HERDEWIJN, E.K.M.LEBBE, S.PEIGNEUR,          
*AUTHOR   2 L.D'SOUZA, J.TYTGAT                                                  
*REVDAT   1   05-MAR-14 2MD6    0                                                


! DIHEDRAL restraints
!! 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 -60.0 60.0 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 -60.0 60.0 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 -60.0 60.0 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 -120.0 60.0 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 -60.0 60.0 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 -60.0 60.0 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 -60.0 60.0 2
  !!    15
 assign (resid   14 and name c )   (resid   15 and name n ) 
        (resid   15 and name ca)   (resid   15 and name c )  1.0 -60.0 60.0 2

!! Omega restraints: minimum deviation = 30 degrees
  !!    7
 assign (resid   6 and name ca )   (resid   6 and name c ) 
        (resid   7 and name n)   (resid   7 and name ca )  1.0 180.0 60.0 2
  !!    14
 assign (resid   13 and name ca )   (resid   13 and name c ) 
        (resid   14 and name n)   (resid   14 and name ca )  1.0 180.0 60.0 2

!NOE restraints
! intra resid H/HA
assign (resid    2 and  name H   ) (resid   2 and  name HA#   ) 4.8 2.0 1.0
assign (resid    3 and  name H   ) (resid   3 and  name HA   ) 4.1 0.8 0.8
assign (resid    4 and  name H   ) (resid   4 and  name HA   ) 3.2 0.6 0.6
assign (resid    5 and  name H   ) (resid   5 and  name HA   ) 3.2 0.6 0.6
assign (resid    6 and  name H   ) (resid   6 and  name HA   ) 3.4 0.7 0.7
assign (resid    8 and  name H   ) (resid   8 and  name HA   ) 2.9 0.6 0.6
assign (resid    9 and  name H   ) (resid   9 and  name HA   ) 3.1 0.6 0.6
assign (resid    10 and  name H   ) (resid   10 and  name HA   ) 3.1 0.6 0.6
assign (resid    11 and  name H   ) (resid   11 and  name HA   ) 2.9 0.6 0.6
assign (resid    12 and  name H   ) (resid   12 and  name HA   ) 3.2 0.6 0.6
assign (resid    13 and  name H   ) (resid   13 and  name HA   ) 3.3 0.7 0.7
assign (resid    15 and  name H   ) (resid   15 and  name HA   ) 3.0 0.6 0.6
assign (resid    16 and  name H   ) (resid   16 and  name HA   ) 3.3 0.7 0.7
assign (resid    17 and  name H   ) (resid   17 and  name HA   ) 3.3 0.7 0.7
assign (resid    18 and  name H   ) (resid   18 and  name HA   ) 3.2 0.6 0.6
! intra resid H/HB
assign (resid    3 and  name H   ) (resid   3 and  name HB#   ) 3.8 0.8 0.8
assign (resid    3 and  name H   ) (resid   3 and  name HB#   ) 3.7 0.7 0.7
assign (resid    4 and  name H   ) (resid   4 and  name HB#   ) 2.9 0.6 0.6
assign (resid    4 and  name H   ) (resid   4 and  name HB#   ) 3.2 0.6 0.6
assign (resid    5 and  name H   ) (resid   5 and  name HB#   ) 3.2 0.6 0.6
assign (resid    6 and  name H   ) (resid   6 and  name HB#   ) 3.2 0.6 0.6
assign (resid    6 and  name H   ) (resid   6 and  name HB#   ) 3.0 0.6 0.6
assign (resid    9 and  name H   ) (resid   9 and  name HB#   ) 2.9 0.6 0.6
assign (resid    9 and  name H   ) (resid   9 and  name HB#   ) 3.1 0.6 0.6
assign (resid    10 and  name H   ) (resid   10 and  name HB#   ) 3.0 0.6 0.6
assign (resid    10 and  name H   ) (resid   10 and  name HB#   ) 3.0 0.6 0.6
assign (resid    11 and  name H   ) (resid   11 and  name HB   ) 2.7 0.5 0.5
assign (resid    12 and  name H   ) (resid   12 and  name HB#   ) 3.4 0.7 0.7
assign (resid    12 and  name H   ) (resid   12 and  name HB#   ) 3.0 0.6 0.6
assign (resid    13 and  name H   ) (resid   13 and  name HB#   ) 3.2 0.6 0.6
assign (resid    13 and  name H   ) (resid   13 and  name HB#   ) 3.8 0.8 0.8
assign (resid    15 and  name H   ) (resid   15 and  name HB#   ) 2.8 0.6 0.6
assign (resid    15 and  name H   ) (resid   15 and  name HB#   ) 3.0 0.6 0.6
assign (resid    16 and  name H   ) (resid   16 and  name HB   ) 3.0 0.6 0.6
assign (resid    17 and  name H   ) (resid   17 and  name HB#   ) 3.0 0.6 0.6
assign (resid    17 and  name H   ) (resid   17 and  name HB#   ) 3.3 0.7 0.7
assign (resid    18 and  name H   ) (resid   18 and  name HB#   ) 3.5 0.7 0.7
assign (resid    18 and  name H   ) (resid   18 and  name HB#   ) 3.2 0.6 0.6
! intra resid HA/HB
assign (resid    1 and  name HA   ) (resid   1 and  name HB#   ) 3.3 0.7 0.7
assign (resid    3 and  name HA   ) (resid   3 and  name HB#   ) 3.2 0.6 0.6
assign (resid    3 and  name HA   ) (resid   3 and  name HB#   ) 3.0 0.6 0.6
assign (resid    4 and  name HA   ) (resid   4 and  name HB#   ) 3.3 0.7 0.7
assign (resid    4 and  name HA   ) (resid   4 and  name HB#   ) 3.2 0.6 0.6
assign (resid    5 and  name HA   ) (resid   5 and  name HB#   ) 2.9 0.6 0.6
assign (resid    6 and  name HA   ) (resid   6 and  name HB#   ) 3.2 0.6 0.6
assign (resid    6 and  name HA   ) (resid   6 and  name HB#   ) 3.5 0.7 0.7
assign (resid    9 and  name HA   ) (resid   9 and  name HB#   ) 2.9 0.6 0.6
assign (resid    10 and  name HA   ) (resid   10 and  name HB#   ) 3.3 0.7 0.7
assign (resid    10 and  name HA   ) (resid   10 and  name HB#   ) 3.6 0.7 0.7
assign (resid    12 and  name HA   ) (resid   12 and  name HB#   ) 3.0 0.6 0.6
assign (resid    12 and  name HA   ) (resid   12 and  name HB#   ) 3.4 0.7 0.7
assign (resid    13 and  name HA   ) (resid   13 and  name HB#   ) 3.3 0.7 0.7
assign (resid    13 and  name HA   ) (resid   13 and  name HB#   ) 3.0 0.6 0.6
assign (resid    15 and  name HA   ) (resid   15 and  name HB#   ) 2.8 0.6 0.6
assign (resid    15 and  name HA   ) (resid   15 and  name HB#   ) 2.9 0.6 0.6
assign (resid    16 and  name HA   ) (resid   16 and  name HB   ) 3.2 0.6 0.6
assign (resid    17 and  name HA   ) (resid   17 and  name HB#   ) 3.3 0.7 0.7
assign (resid    17 and  name HA   ) (resid   17 and  name HB#   ) 3.4 0.7 0.7
assign (resid    18 and  name HA   ) (resid   18 and  name HB#   ) 3.4 0.7 0.7
assign (resid    18 and  name HA   ) (resid   18 and  name HB#   ) 3.5 0.7 0.7
! intra resid 13
assign (resid    13 and  name H   ) (resid   13 and  name HD2   ) 3.6 0.7 0.7
assign (resid    13 and  name HA   ) (resid   13 and  name HD2   ) 3.8 0.8 0.8
assign (resid    13 and  name HD2   ) (resid   13 and  name HB#   ) 3.0 1.2 0.6
assign (resid    13 and  name HD2   ) (resid   13 and  name HB#   ) 3.2 1.4 0.6
assign (resid    13 and  name HA   ) (resid   13 and  name HE1   ) 5.0 1.0 1.0
! sequential noe H/H
assign (resid    4 and  name H   ) (resid   5 and  name H   ) 3.2 0.6 0.6
assign (resid    5 and  name H   ) (resid   6 and  name H   ) 3.0 0.6 0.6
assign (resid    8 and  name H   ) (resid   9 and  name H   ) 2.8 0.6 0.6
assign (resid    9 and  name H   ) (resid   10 and  name H   ) 2.8 0.6 0.6
assign (resid    10 and  name H   ) (resid   11 and  name H   ) 3.1 0.6 0.6
assign (resid    11 and  name H   ) (resid   12 and  name H   ) 3.0 0.6 1.3
assign (resid    12 and  name H   ) (resid   13 and  name H   ) 2.8 0.6 0.6
assign (resid    15 and  name H   ) (resid   16 and  name H   ) 3.1 0.6 0.6
assign (resid    16 and  name H   ) (resid   17 and  name H   ) 2.9 0.6 0.6
assign (resid    17 and  name H   ) (resid   18 and  name H   ) 3.1 0.6 0.6
! sequential noe HA/H
assign (resid    2 and  name HA#   ) (resid   3 and  name H   ) 3.8 0.6 0.6
assign (resid    3 and  name HA   ) (resid   4 and  name H   ) 3.8 0.8 0.8
assign (resid    4 and  name HA   ) (resid   5 and  name H   ) 4.2 2.4 0.8
assign (resid    5 and  name HA   ) (resid   6 and  name H   ) 3.5 0.7 0.7
assign (resid    8 and  name HA   ) (resid   9 and  name H   ) 3.7 0.7 0.7
assign (resid    9 and  name HA   ) (resid   10 and  name H   ) 3.6 0.7 0.7
assign (resid    10 and  name HA   ) (resid   11 and  name H   ) 3.6 1.3 0.7
assign (resid    11 and  name HA   ) (resid   12 and  name H   ) 3.6 0.7 0.7
assign (resid    12 and  name HA   ) (resid   13 and  name H   ) 3.8 0.8 0.8
assign (resid    14 and  name HA   ) (resid   15 and  name H   ) 3.6 0.7 0.7
assign (resid    15 and  name HA   ) (resid   16 and  name H   ) 3.7 0.7 0.7
assign (resid    16 and  name HA   ) (resid   17 and  name H   ) 3.6 0.7 0.7
assign (resid    17 and  name HA   ) (resid   18 and  name H   ) 3.3 0.7 0.7
! sequential noe H/HA
assign (resid    6 and  name H   ) (resid   7 and  name HA   ) 4.3 0.9 0.9
assign (resid    13 and  name H   ) (resid   14 and  name HA   ) 3.5 0.7 1.8
assign (resid    15 and  name H   ) (resid   16 and  name HA   ) 5.0 1.0 1.0

! sequential noe HB/H
assign (resid    3 and  name HB#   ) (resid   4 and  name H   ) 3.0 0.6 0.6
assign (resid    3 and  name HB#   ) (resid   4 and  name H   ) 3.4 0.7 0.7
assign (resid    4 and  name HB#   ) (resid   5 and  name H   ) 4.0 0.8 0.8
assign (resid    4 and  name HB#   ) (resid   5 and  name H   ) 4.2 0.8 0.8
assign (resid    5 and  name HB#   ) (resid   6 and  name H   ) 4.0 0.8 0.8
assign (resid    7 and  name HB#   ) (resid   8 and  name H   ) 3.8 2.0 0.8
assign (resid    8 and  name HB#   ) (resid   9 and  name H   ) 4.0 1.0 1.0
assign (resid    9 and  name HB#   ) (resid   10 and  name H   ) 3.7 0.7 0.7
assign (resid    9 and  name HB#   ) (resid   10 and  name H   ) 3.3 0.7 0.7
assign (resid    10 and  name HB#   ) (resid   11 and  name H   ) 3.1 1.3 0.6
assign (resid    10 and  name HB#   ) (resid   11 and  name H   ) 3.4 1.6 0.7
assign (resid    11 and  name HB   ) (resid   12 and  name H   ) 3.3 0.7 0.7
assign (resid    12 and  name HB#   ) (resid   13 and  name H   ) 4.3 0.9 0.9
assign (resid    12 and  name HB#   ) (resid   13 and  name H   ) 3.9 0.8 0.8
assign (resid    14 and  name HB#   ) (resid   15 and  name H   ) 4.1 0.8 0.8
assign (resid    15 and  name HB#   ) (resid   16 and  name H   ) 4.2 0.8 0.8
assign (resid    16 and  name HB   ) (resid   17 and  name H   ) 3.2 0.6 0.6
assign (resid    17 and  name HB#   ) (resid   18 and  name H   ) 3.4 0.7 0.7
assign (resid    17 and  name HB#   ) (resid   18 and  name H   ) 3.8 0.8 0.8
! sequential noe H/HB
assign (resid    10 and  name HB#   ) (resid   9 and  name H   ) 4.2 0.8 0.8
assign (resid    10 and  name HB#   ) (resid   9 and  name H   ) 4.6 0.9 0.9
! sequential noe others
assign (resid    6 and  name HA   ) (resid   7 and  name HG#   ) 4.3 0.9 0.9
assign (resid    6 and  name HA   ) (resid   7 and  name HD#   ) 2.7 0.5 0.5
assign (resid    6 and  name HA   ) (resid   7 and  name HD#   ) 2.9 0.6 0.6
assign (resid    6 and  name HB#   ) (resid   7 and  name HD#   ) 4.5 0.9 0.9
assign (resid    6 and  name HB#   ) (resid   7 and  name HD#   ) 4.4 0.9 0.9
assign (resid    7 and  name HG#   ) (resid   8 and  name H   ) 3.6 1.8 0.7    
assign (resid    7 and  name HD#   ) (resid   8 and  name H   ) 3.1 0.6 1.9
assign (resid    10 and  name HG#   ) (resid   11 and  name H   ) 3.8 0.8 0.8
assign (resid    10 and  name HD#   ) (resid   11 and  name H   ) 4.4 0.9 0.9
assign (resid    10 and  name HG#   ) (resid   11 and  name HA   ) 4.6 0.9 0.9
assign (resid    12 and  name HB#   ) (resid   13 and  name HD2   ) 3.3 0.7 0.7
assign (resid    13 and  name HE1   ) (resid   14 and  name HA   ) 4.5 0.9 0.9
assign (resid    13 and  name HA   ) (resid   14 and  name HD#   ) 3.2 0.6 0.6
assign (resid    13 and  name HA   ) (resid   14 and  name HD#   ) 2.8 0.6 0.6
assign (resid    13 and  name HB#   ) (resid   14 and  name HD#   ) 4.7 0.9 0.9
assign (resid    14 and  name HD#   ) (resid   15 and  name H   ) 3.9 0.8 0.8
assign (resid    14 and  name HD#   ) (resid   15 and  name H   ) 3.3 0.7 0.7
assign (resid    13 and  name H   ) (resid   14 and  name HD#   ) 3.4 1.5 0.7
assign (resid    13 and  name H   ) (resid   14 and  name HD#   ) 3.7 1.9 0.7

! medium range noe
assign (resid    4 and  name H   ) (resid   6 and  name H   ) 4.3 0.9 0.9
assign (resid    8 and  name H   ) (resid   10 and  name H   ) 3.9 0.8 0.8
assign (resid    15 and  name H   ) (resid   17 and  name H   ) 4.0 0.8 0.8
assign (resid    16 and  name H   ) (resid   18 and  name H   ) 5.5 1.1 1.1
assign (resid    6 and  name H   ) (resid   10 and  name H   ) 5.1 1.0 1.0

assign (resid    2 and  name HA#   ) (resid   4 and  name H   ) 4.5 0.9 0.9
assign (resid    4 and  name HA   ) (resid   6 and  name H   ) 4.0 0.8 0.8
assign (resid    6 and  name HA   ) (resid   8 and  name H   ) 4.0 0.8 0.8
assign (resid    7 and  name HA   ) (resid   9 and  name H   ) 4.9 1.0 1.0
assign (resid    7 and  name HA   ) (resid   10 and  name H   ) 3.7 0.7 0.7
assign (resid    15 and  name HA   ) (resid   18 and  name H   ) 4.4 0.9 0.9
assign (resid    14 and  name HA   ) (resid   18 and  name H   ) 3.5 0.7 1.6
assign (resid    16 and  name HA   ) (resid   18 and  name H   ) 4.8 1.0 1.0
assign (resid    7 and  name HA   ) (resid   11 and  name H   ) 3.7 0.7 0.7
assign (resid    9 and  name HA   ) (resid   11 and  name H   ) 4.5 0.9 0.9


assign (resid    5 and  name H   ) (resid   7 and  name HA   ) 4.0 0.8 0.8
assign (resid    12 and  name H   ) (resid   14 and  name HA   ) 3.8 0.8 0.8

assign (resid    8 and  name H   ) (resid   10 and  name HB#   ) 3.3 0.7 0.7
assign (resid    9 and  name H   ) (resid   6 and  name HB#   ) 4.0 2.2 0.8
assign (resid    9 and  name H   ) (resid   6 and  name HB#   ) 3.5 1.7 0.7
assign (resid    15 and  name H   ) (resid   13 and  name HB#   ) 5.0 1.0 1.0
assign (resid    15 and  name H   ) (resid   13 and  name HB#   ) 4.5 0.9 0.9
assign (resid    6 and  name H   ) (resid   8 and  name HB#   ) 5.5 1.1 1.1
assign (resid    6 and  name H   ) (resid   9 and  name HB#   ) 4.6 0.9 0.9
assign (resid    6 and  name H   ) (resid   9 and  name HB#   ) 4.4 0.9 0.9
assign (resid    6 and  name H   ) (resid   10 and  name HB#   ) 4.8 1.0 1.0
assign (resid    6 and  name H   ) (resid   10 and  name HB#   ) 4.3 0.9 0.9
assign (resid    10 and  name H   ) (resid   6 and  name HB#   ) 4.8 1.0 1.0
assign (resid    10 and  name H   ) (resid   6 and  name HB#   ) 4.1 0.8 0.8
assign (resid    10 and  name H   ) (resid   8 and  name HB#   ) 5.0 1.0 1.0
assign (resid    11 and  name H   ) (resid   8 and  name HB#   ) 5.0 1.0 1.0
assign (resid    11 and  name H   ) (resid   9 and  name HB#   ) 5.0 1.0 1.0

assign (resid    8 and  name H   ) (resid   11 and  name HG2#   ) 5.0 1.0 1.0
assign (resid    18 and  name H   ) (resid   14 and  name HG#   ) 4.9 1.0 1.0

assign (resid    16 and  name HB   ) (resid   13 and  name HB#   ) 4.1 0.8 0.8
assign (resid    16 and  name HB   ) (resid   13 and  name HB#   ) 3.6 0.7 1.8
assign (resid    15 and  name HB#   ) (resid   13 and  name HA   ) 4.2 0.8 0.8
assign (resid    13 and  name HB#   ) (resid   10 and  name HA   ) 4.4 0.9 0.9
assign (resid    12 and  name HB#   ) (resid   9 and  name HA   ) 3.8 0.8 0.8
assign (resid    10 and  name HB#   ) (resid   7 and  name HA   ) 3.5 0.7 0.7
assign (resid    12 and  name HB#   ) (resid   9 and  name HA   ) 3.8 0.8 0.8

assign (resid    6 and  name HB#   ) (resid   9 and  name HB#   ) 3.9 0.8 0.8

assign (resid    13 and  name HD2   ) (resid   16 and  name HB   ) 4.5 0.9 0.9
assign (resid    14 and  name HD#   ) (resid   12 and  name HA   ) 4.3 0.9 0.9
assign (resid    14 and  name HD#   ) (resid   12 and  name HA   ) 4.3 0.9 0.9
assign (resid    10 and  name HG#   ) (resid   7 and  name HA   ) 4.4 0.9 0.9

! long range noe 
assign (resid    3 and  name HA   ) (resid   10 and  name H   ) 4.8 1.0 1.0
assign (resid    3 and  name HB#   ) (resid   14 and  name HA   ) 3.8 0.8 1.5
assign (resid    3 and  name HA   ) (resid   17 and  name HB#   ) 4.0 0.8 0.8
assign (resid    4 and  name HA   ) (resid   10 and  name H   ) 4.2 0.8 0.8
assign (resid    4 and  name HA   ) (resid   10 and  name HA   ) 3.6 0.7 0.7
assign (resid    4 and  name HA   ) (resid   10 and  name HB#   ) 3.8 0.8 0.8
assign (resid    4 and  name HA   ) (resid   10 and  name HB#   ) 3.4 0.7 0.7
assign (resid    4 and  name HA   ) (resid   10 and  name HG#   ) 3.9 2.1 0.8
assign (resid    4 and  name HB#   ) (resid   17 and  name HA   ) 4.6 1.5 0.9
assign (resid    4 and  name HB#   ) (resid   17 and  name HA   ) 4.4 1.5 0.9
assign (resid    10 and  name HA   ) (resid   17 and  name HB#   ) 4.1 0.8 0.8
assign (resid    10 and  name HG#   ) (resid   17 and  name HB#   ) 3.9 0.8 0.8
assign (resid    10 and  name HE   ) (resid   18 and  name H   ) 3.8 0.8 0.8


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1           H1       GLU   1  16.774  25.266  20.095
    2    H2   GLU   1           H2       GLU   1  15.436  24.867  19.160
    3    H3   GLU   1           H3       GLU   1  16.075  26.411  19.103
    4    HA   GLU   1           HA       GLU   1  17.674  25.864  17.685
    5    HB2  GLU   1           HB3      GLU   1  17.909  23.308  19.420
    6    HB3  GLU   1           HB2      GLU   1  18.963  23.543  18.040
    7    HG2  GLU   1           HG3      GLU   1  20.289  24.235  19.786
    8    HG3  GLU   1           HG2      GLU   1  19.754  25.771  19.031
    9    H    GLY   2           H        GLY   2  18.275  23.494  16.294
   10    HA2  GLY   2           HA3      GLY   2  15.593  23.175  14.977
   11    HA3  GLY   2           HA2      GLY   2  16.921  23.499  14.007
   12    H    CYS   3           H        CYS   3  18.220  21.226  16.122
   13    HA   CYS   3           HA       CYS   3  16.716  19.051  14.674
   14    HB2  CYS   3           HB3      CYS   3  19.791  18.997  14.898
   15    HB3  CYS   3           HB2      CYS   3  18.819  17.611  14.655
   16    H    CYS   4           H        CYS   4  17.172  20.253  17.557
   17    HA   CYS   4           HA       CYS   4  17.416  17.615  18.789
   18    HB2  CYS   4           HB3      CYS   4  17.504  20.388  20.093
   19    HB3  CYS   4           HB2      CYS   4  17.034  19.033  21.059
   20    H    SER   5           H        SER   5  15.455  16.945  17.694
   21    HA   SER   5           HA       SER   5  13.493  16.650  19.588
   22    HB2  SER   5           HB3      SER   5  11.462  17.680  18.474
   23    HB3  SER   5           HB2      SER   5  12.604  18.915  19.041
   24    HG   SER   5           HG       SER   5  11.863  19.313  17.012
   25    H    ASN   6           H        ASN   6  13.698  16.794  16.092
   26    HA   ASN   6           HA       ASN   6  12.542  14.275  15.764
   27    HB2  ASN   6           HB3      ASN   6  14.435  15.897  13.838
   28    HB3  ASN   6           HB2      ASN   6  13.766  14.428  13.279
   29   HD21  ASN   6          HD21      ASN   6  13.166  17.713  13.437
   30   HD22  ASN   6          HD22      ASN   6  11.431  17.687  13.273
   31    HA   PRO   7           HA       PRO   7  16.076  12.707  17.654
   32    HB2  PRO   7           HB3      PRO   7  15.834   9.920  17.642
   33    HB3  PRO   7           HB2      PRO   7  14.903  11.064  18.674
   34    HG2  PRO   7           HG3      PRO   7  14.043   9.939  15.939
   35    HG3  PRO   7           HG2      PRO   7  13.118   9.899  17.504
   36    HD2  PRO   7           HD3      PRO   7  12.596  11.832  15.759
   37    HD3  PRO   7           HD2      PRO   7  12.878  12.307  17.505
   38    H    ALA   8           H        ALA   8  15.882  12.438  14.446
   39    HA   ALA   8           HA       ALA   8  18.135  10.578  14.057
   40    HB1  ALA   8           HB1      ALA   8  15.946  11.344  12.058
   41    HB2  ALA   8           HB2      ALA   8  16.064   9.820  13.011
   42    HB3  ALA   8           HB3      ALA   8  17.309  10.192  11.774
   43    H    CYS   9           H        CYS   9  17.103  13.911  13.370
   44    HA   CYS   9           HA       CYS   9  19.538  14.378  11.892
   45    HB2  CYS   9           HB3      CYS   9  17.756  15.860  11.305
   46    HB3  CYS   9           HB2      CYS   9  17.577  16.453  12.980
   47    H    ARG  10           H        ARG  10  18.358  14.442  15.118
   48    HA   ARG  10           HA       ARG  10  20.515  15.846  16.276
   49    HB2  ARG  10           HB3      ARG  10  18.098  14.996  17.518
   50    HB3  ARG  10           HB2      ARG  10  18.991  13.534  17.733
   51    HG2  ARG  10           HG3      ARG  10  20.773  14.693  18.978
   52    HG3  ARG  10           HG2      ARG  10  19.997  16.273  18.704
   53    HD2  ARG  10           HD3      ARG  10  18.285  15.884  20.266
   54    HD3  ARG  10           HD2      ARG  10  18.346  14.103  20.092
   55    HE   ARG  10           HE       ARG  10  20.480  15.779  21.499
   56   HH11  ARG  10          HH21      ARG  10  19.038  12.520  20.984
   57   HH12  ARG  10          HH22      ARG  10  20.066  11.818  22.188
   58   HH21  ARG  10          HH11      ARG  10  21.832  14.834  22.736
   59   HH22  ARG  10          HH12      ARG  10  21.840  13.120  23.114
   60    H    THR  11           H        THR  11  19.953  12.350  16.167
   61    HA   THR  11           HA       THR  11  22.326  11.657  17.435
   62    HB   THR  11           HB       THR  11  20.200  10.389  17.065
   63    HG1  THR  11           HG1      THR  11  21.248   8.496  17.304
   64   HG21  THR  11          HG21      THR  11  21.661   9.347  14.539
   65   HG22  THR  11          HG22      THR  11  20.247  10.467  14.506
   66   HG23  THR  11          HG23      THR  11  20.084   8.809  15.192
   67    H    ASN  12           H        ASN  12  22.158  13.067  14.664
   68    HA   ASN  12           HA       ASN  12  24.264  11.486  13.299
   69    HB2  ASN  12           HB3      ASN  12  22.166  12.388  11.825
   70    HB3  ASN  12           HB2      ASN  12  22.923  13.979  11.983
   71   HD21  ASN  12          HD21      ASN  12  23.678  10.591  11.015
   72   HD22  ASN  12          HD22      ASN  12  24.721  11.077   9.695
   73    H    HIS  13           H        HIS  13  23.876  14.263  15.319
   74    HA   HIS  13           HA       HIS  13  26.500  15.133  14.997
   75    HB2  HIS  13           HB3      HIS  13  26.202  16.742  13.071
   76    HB3  HIS  13           HB2      HIS  13  24.921  15.579  12.672
   77    HD1  HIS  13           HD1      HIS  13  25.474  18.822  12.787
   78    HD2  HIS  13           HD2      HIS  13  22.347  16.532  14.389
   79    HE1  HIS  13           HE1      HIS  13  23.727  20.402  13.622
   80    HE2  HIS  13           HE2      HIS  13  21.754  19.097  14.267
   81    HA   PRO  14           HA       PRO  14  23.198  16.630  17.539
   82    HB2  PRO  14           HB3      PRO  14  23.576  15.732  20.186
   83    HB3  PRO  14           HB2      PRO  14  22.960  14.682  18.869
   84    HG2  PRO  14           HG3      PRO  14  25.896  14.973  19.744
   85    HG3  PRO  14           HG2      PRO  14  24.923  13.443  19.586
   86    HD2  PRO  14           HD3      PRO  14  26.521  14.266  17.542
   87    HD3  PRO  14           HD2      PRO  14  24.840  13.639  17.198
   88    H    GLU  15           H        GLU  15  26.425  17.388  18.049
   89    HA   GLU  15           HA       GLU  15  26.169  18.983  20.388
   90    HB2  GLU  15           HB3      GLU  15  28.309  17.871  19.744
   91    HB3  GLU  15           HB2      GLU  15  28.458  18.995  18.366
   92    HG2  GLU  15           HG3      GLU  15  29.912  19.685  20.118
   93    HG3  GLU  15           HG2      GLU  15  28.625  20.923  19.943
   94    H    VAL  16           H        VAL  16  25.217  19.576  17.182
   95    HA   VAL  16           HA       VAL  16  25.499  22.433  17.407
   96    HB   VAL  16           HB       VAL  16  24.050  20.925  15.268
   97   HG11  VAL  16          HG11      VAL  16  23.831  23.426  15.158
   98   HG12  VAL  16          HG12      VAL  16  24.958  22.862  13.886
   99   HG13  VAL  16          HG13      VAL  16  25.617  23.593  15.386
  100   HG21  VAL  16          HG21      VAL  16  26.299  20.975  14.048
  101   HG22  VAL  16          HG22      VAL  16  26.265  19.813  15.411
  102   HG23  VAL  16          HG23      VAL  16  27.082  21.415  15.603
  103    H    CYS  17           H        CYS  17  23.518  20.326  18.919
  104    HA   CYS  17           HA       CYS  17  21.909  22.562  19.384
  105    HB2  CYS  17           HB3      CYS  17  19.584  21.191  19.015
  106    HB3  CYS  17           HB2      CYS  17  20.579  20.921  17.571
  107    H    ASP  18           H        ASP  18  22.282  19.323  20.792
  108    HA   ASP  18           HA       ASP  18  21.251  20.309  23.091
  109    HB2  ASP  18           HB3      ASP  18  23.635  18.235  22.914
  110    HB3  ASP  18           HB2      ASP  18  22.777  18.408  24.374
  Start of MODEL    2
    1    H1   GLU   1           H1       GLU   1  17.837  24.950  17.096
    2    H2   GLU   1           H2       GLU   1  18.702  25.760  15.895
    3    H3   GLU   1           H3       GLU   1  18.426  24.123  15.722
    4    HA   GLU   1           HA       GLU   1  16.339  26.183  15.862
    5    HB2  GLU   1           HB3      GLU   1  17.592  24.736  13.416
    6    HB3  GLU   1           HB2      GLU   1  16.119  25.681  13.281
    7    HG2  GLU   1           HG3      GLU   1  17.672  27.152  12.519
    8    HG3  GLU   1           HG2      GLU   1  17.556  27.700  14.219
    9    H    GLY   2           H        GLY   2  16.561  23.188  14.043
   10    HA2  GLY   2           HA3      GLY   2  14.032  22.345  15.461
   11    HA3  GLY   2           HA2      GLY   2  14.128  22.119  13.803
   12    H    CYS   3           H        CYS   3  17.220  21.480  15.118
   13    HA   CYS   3           HA       CYS   3  16.478  18.590  14.807
   14    HB2  CYS   3           HB3      CYS   3  19.434  19.485  15.262
   15    HB3  CYS   3           HB2      CYS   3  18.906  17.985  14.788
   16    H    CYS   4           H        CYS   4  16.747  20.654  17.371
   17    HA   CYS   4           HA       CYS   4  18.149  18.730  18.939
   18    HB2  CYS   4           HB3      CYS   4  16.694  21.341  19.876
   19    HB3  CYS   4           HB2      CYS   4  17.952  20.606  20.799
   20    H    SER   5           H        SER   5  16.001  17.440  18.262
   21    HA   SER   5           HA       SER   5  14.441  16.970  20.510
   22    HB2  SER   5           HB3      SER   5  12.200  17.928  19.802
   23    HB3  SER   5           HB2      SER   5  13.390  19.208  20.108
   24    HG   SER   5           HG       SER   5  12.376  19.632  18.202
   25    H    ASN   6           H        ASN   6  14.005  17.185  17.029
   26    HA   ASN   6           HA       ASN   6  12.887  14.722  16.704
   27    HB2  ASN   6           HB3      ASN   6  14.699  16.365  14.721
   28    HB3  ASN   6           HB2      ASN   6  13.934  14.932  14.152
   29   HD21  ASN   6          HD21      ASN   6  13.497  17.912  13.655
   30   HD22  ASN   6          HD22      ASN   6  11.768  18.120  13.835
   31    HA   PRO   7           HA       PRO   7  16.457  12.660  18.005
   32    HB2  PRO   7           HB3      PRO   7  15.351  10.232  16.457
   33    HB3  PRO   7           HB2      PRO   7  16.266  10.213  18.029
   34    HG2  PRO   7           HG3      PRO   7  13.534  10.207  18.075
   35    HG3  PRO   7           HG2      PRO   7  14.426  11.360  19.166
   36    HD2  PRO   7           HD3      PRO   7  13.038  11.937  16.536
   37    HD3  PRO   7           HD2      PRO   7  13.158  12.898  18.097
   38    H    ALA   8           H        ALA   8  15.844  12.788  14.737
   39    HA   ALA   8           HA       ALA   8  17.979  11.015  13.848
   40    HB1  ALA   8           HB1      ALA   8  16.859  10.996  11.665
   41    HB2  ALA   8           HB2      ALA   8  15.656  12.218  12.225
   42    HB3  ALA   8           HB3      ALA   8  15.725  10.598  12.990
   43    H    CYS   9           H        CYS   9  17.209  14.456  13.719
   44    HA   CYS   9           HA       CYS   9  19.620  14.872  12.105
   45    HB2  CYS   9           HB3      CYS   9  17.884  16.347  11.446
   46    HB3  CYS   9           HB2      CYS   9  17.609  16.924  13.099
   47    H    ARG  10           H        ARG  10  18.428  15.144  15.412
   48    HA   ARG  10           HA       ARG  10  20.700  16.127  16.553
   49    HB2  ARG  10           HB3      ARG  10  18.360  15.217  17.881
   50    HB3  ARG  10           HB2      ARG  10  19.154  13.682  17.731
   51    HG2  ARG  10           HG3      ARG  10  21.195  14.915  18.957
   52    HG3  ARG  10           HG2      ARG  10  19.923  16.095  19.382
   53    HD2  ARG  10           HD3      ARG  10  18.582  14.283  20.463
   54    HD3  ARG  10           HD2      ARG  10  19.810  13.053  19.950
   55    HE   ARG  10           HE       ARG  10  21.199  15.180  21.347
   56   HH11  ARG  10          HH21      ARG  10  18.652  12.802  22.291
   57   HH12  ARG  10          HH22      ARG  10  19.342  12.659  23.878
   58   HH21  ARG  10          HH11      ARG  10  21.628  15.211  23.452
   59   HH22  ARG  10          HH12      ARG  10  20.731  14.286  24.558
   60    H    THR  11           H        THR  11  20.109  12.611  16.222
   61    HA   THR  11           HA       THR  11  22.502  11.845  17.246
   62    HB   THR  11           HB       THR  11  20.466  10.556  16.865
   63    HG1  THR  11           HG1      THR  11  22.570   9.557  17.260
   64   HG21  THR  11          HG21      THR  11  20.073  11.169  14.466
   65   HG22  THR  11          HG22      THR  11  20.094   9.389  14.718
   66   HG23  THR  11          HG23      THR  11  21.513  10.209  13.971
   67    H    ASN  12           H        ASN  12  22.180  13.396  14.479
   68    HA   ASN  12           HA       ASN  12  24.530  12.107  13.214
   69    HB2  ASN  12           HB3      ASN  12  22.241  12.420  11.738
   70    HB3  ASN  12           HB2      ASN  12  22.768  14.103  11.630
   71   HD21  ASN  12          HD21      ASN  12  24.708  10.991  11.576
   72   HD22  ASN  12          HD22      ASN  12  25.350  11.305  10.001
   73    H    HIS  13           H        HIS  13  23.701  14.907  14.942
   74    HA   HIS  13           HA       HIS  13  26.402  15.775  14.676
   75    HB2  HIS  13           HB3      HIS  13  25.996  17.718  13.105
   76    HB3  HIS  13           HB2      HIS  13  24.723  16.614  12.581
   77    HD1  HIS  13           HD1      HIS  13  25.337  19.760  14.126
   78    HD2  HIS  13           HD2      HIS  13  22.148  17.193  13.416
   79    HE1  HIS  13           HE1      HIS  13  23.261  21.009  14.903
   80    HE2  HIS  13           HE2      HIS  13  21.320  19.618  14.092
   81    HA   PRO  14           HA       PRO  14  23.428  16.420  17.822
   82    HB2  PRO  14           HB3      PRO  14  24.277  15.042  20.140
   83    HB3  PRO  14           HB2      PRO  14  23.437  14.279  18.747
   84    HG2  PRO  14           HG3      PRO  14  26.480  14.470  19.179
   85    HG3  PRO  14           HG2      PRO  14  25.492  12.989  18.834
   86    HD2  PRO  14           HD3      PRO  14  26.708  14.233  16.786
   87    HD3  PRO  14           HD2      PRO  14  24.964  13.747  16.613
   88    H    GLU  15           H        GLU  15  26.773  16.952  18.391
   89    HA   GLU  15           HA       GLU  15  26.662  18.199  20.862
   90    HB2  GLU  15           HB3      GLU  15  28.743  17.340  20.141
   91    HB3  GLU  15           HB2      GLU  15  28.829  18.403  18.721
   92    HG2  GLU  15           HG3      GLU  15  28.981  20.403  20.200
   93    HG3  GLU  15           HG2      GLU  15  28.797  19.361  21.656
   94    H    VAL  16           H        VAL  16  25.726  19.525  17.791
   95    HA   VAL  16           HA       VAL  16  25.940  22.247  18.739
   96    HB   VAL  16           HB       VAL  16  24.749  20.998  16.238
   97   HG11  VAL  16          HG11      VAL  16  25.125  23.966  16.990
   98   HG12  VAL  16          HG12      VAL  16  23.549  23.134  16.663
   99   HG13  VAL  16          HG13      VAL  16  24.752  23.323  15.353
  100   HG21  VAL  16          HG21      VAL  16  27.338  22.579  16.869
  101   HG22  VAL  16          HG22      VAL  16  26.800  22.080  15.227
  102   HG23  VAL  16          HG23      VAL  16  27.259  20.832  16.439
  103    H    CYS  17           H        CYS  17  23.588  19.662  18.862
  104    HA   CYS  17           HA       CYS  17  21.538  21.692  19.314
  105    HB2  CYS  17           HB3      CYS  17  21.492  19.676  17.251
  106    HB3  CYS  17           HB2      CYS  17  20.257  19.195  18.432
  107    H    ASP  18           H        ASP  18  22.276  18.277  20.580
  108    HA   ASP  18           HA       ASP  18  21.359  19.169  23.018
  109    HB2  ASP  18           HB3      ASP  18  19.035  18.700  21.464
  110    HB3  ASP  18           HB2      ASP  18  19.601  17.046  21.508
  Start of MODEL    3
    1    H1   GLU   1           H1       GLU   1  19.477  25.895  16.573
    2    H2   GLU   1           H2       GLU   1  19.632  26.549  18.127
    3    H3   GLU   1           H3       GLU   1  18.165  26.640  17.337
    4    HA   GLU   1           HA       GLU   1  19.445  24.075  18.010
    5    HB2  GLU   1           HB3      GLU   1  17.355  25.796  19.471
    6    HB3  GLU   1           HB2      GLU   1  17.530  24.104  19.903
    7    HG2  GLU   1           HG3      GLU   1  19.634  24.382  20.939
    8    HG3  GLU   1           HG2      GLU   1  20.029  25.877  20.033
    9    H    GLY   2           H        GLY   2  18.751  23.225  16.023
   10    HA2  GLY   2           HA3      GLY   2  15.759  23.205  15.661
   11    HA3  GLY   2           HA2      GLY   2  16.734  23.456  14.317
   12    H    CYS   3           H        CYS   3  18.287  21.080  16.233
   13    HA   CYS   3           HA       CYS   3  16.612  19.014  14.795
   14    HB2  CYS   3           HB3      CYS   3  19.699  18.754  15.012
   15    HB3  CYS   3           HB2      CYS   3  18.631  17.491  14.655
   16    H    CYS   4           H        CYS   4  17.106  20.083  17.691
   17    HA   CYS   4           HA       CYS   4  17.214  17.395  18.856
   18    HB2  CYS   4           HB3      CYS   4  17.313  20.136  20.273
   19    HB3  CYS   4           HB2      CYS   4  16.826  18.735  21.171
   20    H    SER   5           H        SER   5  15.374  16.874  17.646
   21    HA   SER   5           HA       SER   5  13.126  16.864  19.342
   22    HB2  SER   5           HB3      SER   5  11.408  17.848  17.795
   23    HB3  SER   5           HB2      SER   5  12.595  19.066  18.295
   24    HG   SER   5           HG       SER   5  12.000  18.883  16.030
   25    H    ASN   6           H        ASN   6  13.821  16.436  15.909
   26    HA   ASN   6           HA       ASN   6  12.516  13.921  15.974
   27    HB2  ASN   6           HB3      ASN   6  14.261  15.252  13.720
   28    HB3  ASN   6           HB2      ASN   6  13.452  13.795  13.380
   29   HD21  ASN   6          HD21      ASN   6  10.922  13.847  14.290
   30   HD22  ASN   6          HD22      ASN   6  10.115  15.357  14.012
   31    HA   PRO   7           HA       PRO   7  16.110  12.128  17.665
   32    HB2  PRO   7           HB3      PRO   7  15.222   9.597  16.188
   33    HB3  PRO   7           HB2      PRO   7  16.022   9.716  17.811
   34    HG2  PRO   7           HG3      PRO   7  13.297   9.571  17.634
   35    HG3  PRO   7           HG2      PRO   7  14.073  10.753  18.794
   36    HD2  PRO   7           HD3      PRO   7  12.732  11.244  16.161
   37    HD3  PRO   7           HD2      PRO   7  12.906  12.305  17.649
   38    H    ALA   8           H        ALA   8  15.771  12.015  14.306
   39    HA   ALA   8           HA       ALA   8  18.242  10.547  13.841
   40    HB1  ALA   8           HB1      ALA   8  17.588  10.232  11.546
   41    HB2  ALA   8           HB2      ALA   8  16.148  11.298  11.743
   42    HB3  ALA   8           HB3      ALA   8  16.266   9.766  12.663
   43    H    CYS   9           H        CYS   9  17.105  13.877  13.138
   44    HA   CYS   9           HA       CYS   9  19.673  14.445  11.931
   45    HB2  CYS   9           HB3      CYS   9  17.844  15.872  11.240
   46    HB3  CYS   9           HB2      CYS   9  17.556  16.429  12.912
   47    H    ARG  10           H        ARG  10  18.273  14.336  15.004
   48    HA   ARG  10           HA       ARG  10  20.254  15.849  16.350
   49    HB2  ARG  10           HB3      ARG  10  17.734  14.841  17.345
   50    HB3  ARG  10           HB2      ARG  10  18.692  13.455  17.666
   51    HG2  ARG  10           HG3      ARG  10  20.201  14.825  19.168
   52    HG3  ARG  10           HG2      ARG  10  19.181  16.249  18.798
   53    HD2  ARG  10           HD3      ARG  10  17.162  15.040  19.725
   54    HD3  ARG  10           HD2      ARG  10  18.213  13.602  20.062
   55    HE   ARG  10           HE       ARG  10  19.418  15.871  21.364
   56   HH11  ARG  10          HH11      ARG  10  16.641  13.601  21.673
   57   HH12  ARG  10          HH12      ARG  10  16.370  14.021  23.314
   58   HH21  ARG  10          HH21      ARG  10  18.840  16.499  23.581
   59   HH22  ARG  10          HH22      ARG  10  17.515  15.691  24.288
   60    H    THR  11           H        THR  11  19.900  12.290  16.427
   61    HA   THR  11           HA       THR  11  22.207  11.916  17.880
   62    HB   THR  11           HB       THR  11  20.292  10.387  17.440
   63    HG1  THR  11           HG1      THR  11  22.073   9.563  18.478
   64   HG21  THR  11          HG21      THR  11  21.876   9.620  14.890
   65   HG22  THR  11          HG22      THR  11  20.295  10.494  14.925
   66   HG23  THR  11          HG23      THR  11  20.427   8.812  15.546
   67    H    ASN  12           H        ASN  12  22.073  13.026  14.911
   68    HA   ASN  12           HA       ASN  12  24.537  11.671  13.994
   69    HB2  ASN  12           HB3      ASN  12  22.221  12.816  12.243
   70    HB3  ASN  12           HB2      ASN  12  23.794  12.528  11.531
   71   HD21  ASN  12          HD21      ASN  12  20.848  11.013  12.202
   72   HD22  ASN  12          HD22      ASN  12  21.381   9.371  11.982
   73    H    HIS  13           H        HIS  13  23.403  14.716  15.056
   74    HA   HIS  13           HA       HIS  13  26.042  15.587  14.776
   75    HB2  HIS  13           HB3      HIS  13  25.782  17.225  12.872
   76    HB3  HIS  13           HB2      HIS  13  24.432  16.103  12.511
   77    HD1  HIS  13           HD1      HIS  13  25.193  19.426  13.797
   78    HD2  HIS  13           HD2      HIS  13  21.933  16.955  13.062
   79    HE1  HIS  13           HE1      HIS  13  23.153  20.886  14.048
   80    HE2  HIS  13           HE2      HIS  13  21.177  19.450  13.326
   81    HA   PRO  14           HA       PRO  14  22.954  16.775  17.658
   82    HB2  PRO  14           HB3      PRO  14  23.768  15.924  20.215
   83    HB3  PRO  14           HB2      PRO  14  22.995  14.857  18.991
   84    HG2  PRO  14           HG3      PRO  14  26.006  15.264  19.465
   85    HG3  PRO  14           HG2      PRO  14  25.090  13.692  19.381
   86    HD2  PRO  14           HD3      PRO  14  26.398  14.654  17.224
   87    HD3  PRO  14           HD2      PRO  14  24.727  13.945  17.019
   88    H    GLU  15           H        GLU  15  26.092  17.783  17.602
   89    HA   GLU  15           HA       GLU  15  26.347  19.188  20.034
   90    HB2  GLU  15           HB3      GLU  15  28.311  18.309  18.919
   91    HB3  GLU  15           HB2      GLU  15  28.081  19.379  17.516
   92    HG2  GLU  15           HG3      GLU  15  28.404  21.366  19.125
   93    HG3  GLU  15           HG2      GLU  15  28.889  20.148  20.365
   94    H    VAL  16           H        VAL  16  24.734  20.082  17.120
   95    HA   VAL  16           HA       VAL  16  24.890  22.914  17.825
   96    HB   VAL  16           HB       VAL  16  24.005  21.467  15.331
   97   HG11  VAL  16          HG11      VAL  16  22.845  23.692  15.379
   98   HG12  VAL  16          HG12      VAL  16  24.303  23.875  14.361
   99   HG13  VAL  16          HG13      VAL  16  24.334  24.482  16.051
  100   HG21  VAL  16          HG21      VAL  16  26.521  23.127  16.041
  101   HG22  VAL  16          HG22      VAL  16  26.136  22.447  14.425
  102   HG23  VAL  16          HG23      VAL  16  26.497  21.348  15.795
  103    H    CYS  17           H        CYS  17  23.332  20.546  18.984
  104    HA   CYS  17           HA       CYS  17  21.468  22.435  19.800
  105    HB2  CYS  17           HB3      CYS  17  19.249  20.980  19.239
  106    HB3  CYS  17           HB2      CYS  17  20.277  20.866  17.799
  107    H    ASP  18           H        ASP  18  22.547  19.211  20.810
  108    HA   ASP  18           HA       ASP  18  22.187  20.473  23.380
  109    HB2  ASP  18           HB3      ASP  18  21.506  17.504  22.695
  110    HB3  ASP  18           HB2      ASP  18  22.536  17.716  24.073
  Start of MODEL    4
    1    H1   GLU   1           H1       GLU   1  16.948  24.686  16.959
    2    H2   GLU   1           H2       GLU   1  16.293  25.896  17.916
    3    H3   GLU   1           H3       GLU   1  16.258  26.047  16.238
    4    HA   GLU   1           HA       GLU   1  14.833  23.992  17.761
    5    HB2  GLU   1           HB3      GLU   1  14.138  26.808  16.996
    6    HB3  GLU   1           HB2      GLU   1  12.872  25.662  16.658
    7    HG2  GLU   1           HG3      GLU   1  14.156  26.114  19.413
    8    HG3  GLU   1           HG2      GLU   1  12.519  26.599  18.858
    9    H    GLY   2           H        GLY   2  16.455  23.533  15.413
   10    HA2  GLY   2           HA3      GLY   2  14.217  22.154  13.980
   11    HA3  GLY   2           HA2      GLY   2  15.499  22.720  13.036
   12    H    CYS   3           H        CYS   3  17.033  21.653  15.875
   13    HA   CYS   3           HA       CYS   3  17.072  18.882  14.721
   14    HB2  CYS   3           HB3      CYS   3  19.677  20.457  15.109
   15    HB3  CYS   3           HB2      CYS   3  19.591  18.750  15.028
   16    H    CYS   4           H        CYS   4  17.127  20.720  17.619
   17    HA   CYS   4           HA       CYS   4  18.169  18.420  18.949
   18    HB2  CYS   4           HB3      CYS   4  16.863  20.988  20.188
   19    HB3  CYS   4           HB2      CYS   4  17.866  19.926  21.109
   20    H    SER   5           H        SER   5  16.076  17.268  17.977
   21    HA   SER   5           HA       SER   5  14.386  16.757  20.137
   22    HB2  SER   5           HB3      SER   5  12.197  17.738  19.256
   23    HB3  SER   5           HB2      SER   5  13.357  18.967  19.814
   24    HG   SER   5           HG       SER   5  13.155  19.789  17.978
   25    H    ASN   6           H        ASN   6  14.174  16.942  16.616
   26    HA   ASN   6           HA       ASN   6  12.856  14.492  16.468
   27    HB2  ASN   6           HB3      ASN   6  14.521  16.025  14.284
   28    HB3  ASN   6           HB2      ASN   6  14.048  14.443  13.903
   29   HD21  ASN   6          HD21      ASN   6  12.812  17.645  14.626
   30   HD22  ASN   6          HD22      ASN   6  11.174  17.343  14.074
   31    HA   PRO   7           HA       PRO   7  16.474  12.445  17.660
   32    HB2  PRO   7           HB3      PRO   7  15.957   9.677  17.233
   33    HB3  PRO   7           HB2      PRO   7  15.490  10.688  18.656
   34    HG2  PRO   7           HG3      PRO   7  13.829  10.119  16.129
   35    HG3  PRO   7           HG2      PRO   7  13.322   9.960  17.867
   36    HD2  PRO   7           HD3      PRO   7  12.631  12.153  16.564
   37    HD3  PRO   7           HD2      PRO   7  13.434  12.363  18.192
   38    H    ALA   8           H        ALA   8  15.984  12.913  14.571
   39    HA   ALA   8           HA       ALA   8  18.026  11.038  13.576
   40    HB1  ALA   8           HB1      ALA   8  17.051  11.189  11.332
   41    HB2  ALA   8           HB2      ALA   8  15.680  12.163  11.964
   42    HB3  ALA   8           HB3      ALA   8  15.936  10.498  12.547
   43    H    CYS   9           H        CYS   9  17.024  14.549  13.339
   44    HA   CYS   9           HA       CYS   9  19.536  15.067  12.098
   45    HB2  CYS   9           HB3      CYS   9  17.760  16.670  11.662
   46    HB3  CYS   9           HB2      CYS   9  17.682  17.136  13.372
   47    H    ARG  10           H        ARG  10  18.282  14.913  15.356
   48    HA   ARG  10           HA       ARG  10  20.546  16.114  16.513
   49    HB2  ARG  10           HB3      ARG  10  18.115  15.332  17.793
   50    HB3  ARG  10           HB2      ARG  10  18.963  13.808  17.928
   51    HG2  ARG  10           HG3      ARG  10  20.790  14.897  19.183
   52    HG3  ARG  10           HG2      ARG  10  19.972  16.478  18.983
   53    HD2  ARG  10           HD3      ARG  10  18.016  15.684  20.315
   54    HD3  ARG  10           HD2      ARG  10  18.816  14.077  20.547
   55    HE   ARG  10           HE       ARG  10  19.717  16.719  21.708
   56   HH11  ARG  10          HH11      ARG  10  20.509  13.267  21.644
   57   HH12  ARG  10          HH12      ARG  10  22.184  13.578  22.013
   58   HH21  ARG  10          HH21      ARG  10  21.508  16.972  22.691
   59   HH22  ARG  10          HH22      ARG  10  22.736  15.737  22.886
   60    H    THR  11           H        THR  11  19.939  12.566  16.312
   61    HA   THR  11           HA       THR  11  22.379  11.967  17.432
   62    HB   THR  11           HB       THR  11  20.338  10.586  17.137
   63    HG1  THR  11           HG1      THR  11  22.440   9.760  17.771
   64   HG21  THR  11          HG21      THR  11  20.161   9.155  15.123
   65   HG22  THR  11          HG22      THR  11  21.539   9.980  14.334
   66   HG23  THR  11          HG23      THR  11  20.019  10.885  14.673
   67    H    ASN  12           H        ASN  12  21.970  13.350  14.615
   68    HA   ASN  12           HA       ASN  12  24.236  11.985  13.286
   69    HB2  ASN  12           HB3      ASN  12  21.864  12.422  11.941
   70    HB3  ASN  12           HB2      ASN  12  22.569  14.035  11.697
   71   HD21  ASN  12          HD21      ASN  12  23.486  14.082   9.689
   72   HD22  ASN  12          HD22      ASN  12  24.232  12.717   8.907
   73    H    HIS  13           H        HIS  13  23.543  14.841  15.001
   74    HA   HIS  13           HA       HIS  13  26.260  15.528  14.758
   75    HB2  HIS  13           HB3      HIS  13  26.042  17.563  13.281
   76    HB3  HIS  13           HB2      HIS  13  24.693  16.568  12.669
   77    HD1  HIS  13           HD1      HIS  13  25.484  19.717  13.985
   78    HD2  HIS  13           HD2      HIS  13  22.134  17.297  13.577
   79    HE1  HIS  13           HE1      HIS  13  23.556  21.020  14.961
   80    HE2  HIS  13           HE2      HIS  13  21.480  19.774  14.119
   81    HA   PRO  14           HA       PRO  14  23.275  16.426  17.874
   82    HB2  PRO  14           HB3      PRO  14  23.949  14.926  20.185
   83    HB3  PRO  14           HB2      PRO  14  23.062  14.252  18.775
   84    HG2  PRO  14           HG3      PRO  14  26.100  14.172  19.251
   85    HG3  PRO  14           HG2      PRO  14  24.987  12.785  18.865
   86    HD2  PRO  14           HD3      PRO  14  26.374  13.941  16.866
   87    HD3  PRO  14           HD2      PRO  14  24.608  13.615  16.647
   88    H    GLU  15           H        GLU  15  26.612  16.718  18.300
   89    HA   GLU  15           HA       GLU  15  26.521  17.801  20.973
   90    HB2  GLU  15           HB3      GLU  15  28.258  16.219  20.387
   91    HB3  GLU  15           HB2      GLU  15  28.911  17.276  19.124
   92    HG2  GLU  15           HG3      GLU  15  29.348  19.020  20.999
   93    HG3  GLU  15           HG2      GLU  15  28.971  17.685  22.171
   94    H    VAL  16           H        VAL  16  26.411  19.124  17.698
   95    HA   VAL  16           HA       VAL  16  26.978  21.746  18.563
   96    HB   VAL  16           HB       VAL  16  25.487  20.688  16.138
   97   HG11  VAL  16          HG11      VAL  16  25.115  23.122  16.442
   98   HG12  VAL  16          HG12      VAL  16  26.364  22.867  15.176
   99   HG13  VAL  16          HG13      VAL  16  26.861  23.374  16.830
  100   HG21  VAL  16          HG21      VAL  16  27.792  21.029  15.056
  101   HG22  VAL  16          HG22      VAL  16  27.722  19.634  16.178
  102   HG23  VAL  16          HG23      VAL  16  28.480  21.191  16.707
  103    H    CYS  17           H        CYS  17  24.092  19.727  18.383
  104    HA   CYS  17           HA       CYS  17  22.499  22.108  18.881
  105    HB2  CYS  17           HB3      CYS  17  21.710  20.115  17.155
  106    HB3  CYS  17           HB2      CYS  17  21.043  19.422  18.603
  107    H    ASP  18           H        ASP  18  23.222  19.179  20.649
  108    HA   ASP  18           HA       ASP  18  22.459  18.489  22.757
  109    HB2  ASP  18           HB3      ASP  18  23.840  20.922  23.197
  110    HB3  ASP  18           HB2      ASP  18  22.228  21.381  23.675
  Start of MODEL    5
    1    H1   GLU   1           H1       GLU   1  18.927  23.977  17.232
    2    H2   GLU   1           H2       GLU   1  18.083  23.924  18.689
    3    H3   GLU   1           H3       GLU   1  18.954  25.291  18.279
    4    HA   GLU   1           HA       GLU   1  16.617  25.651  17.991
    5    HB2  GLU   1           HB3      GLU   1  18.513  26.564  16.326
    6    HB3  GLU   1           HB2      GLU   1  17.890  25.402  15.184
    7    HG2  GLU   1           HG3      GLU   1  16.843  27.445  14.650
    8    HG3  GLU   1           HG2      GLU   1  15.542  26.545  15.506
    9    H    GLY   2           H        GLY   2  17.300  23.598  15.217
   10    HA2  GLY   2           HA3      GLY   2  14.608  22.338  15.742
   11    HA3  GLY   2           HA2      GLY   2  15.018  22.754  14.170
   12    H    CYS   3           H        CYS   3  17.747  21.433  15.918
   13    HA   CYS   3           HA       CYS   3  16.954  18.788  14.703
   14    HB2  CYS   3           HB3      CYS   3  19.905  19.700  14.818
   15    HB3  CYS   3           HB2      CYS   3  19.402  18.081  14.740
   16    H    CYS   4           H        CYS   4  17.135  20.278  17.559
   17    HA   CYS   4           HA       CYS   4  17.434  17.620  18.781
   18    HB2  CYS   4           HB3      CYS   4  17.523  20.397  20.111
   19    HB3  CYS   4           HB2      CYS   4  17.026  19.021  21.055
   20    H    SER   5           H        SER   5  15.436  17.175  17.488
   21    HA   SER   5           HA       SER   5  13.236  17.397  19.252
   22    HB2  SER   5           HB3      SER   5  11.601  18.456  17.592
   23    HB3  SER   5           HB2      SER   5  12.839  19.593  18.187
   24    HG   SER   5           HG       SER   5  12.604  19.742  15.994
   25    H    ASN   6           H        ASN   6  13.831  16.699  15.797
   26    HA   ASN   6           HA       ASN   6  12.355  14.287  16.179
   27    HB2  ASN   6           HB3      ASN   6  14.047  15.257  13.700
   28    HB3  ASN   6           HB2      ASN   6  13.160  13.808  13.591
   29   HD21  ASN   6          HD21      ASN   6  12.909  17.291  13.775
   30   HD22  ASN   6          HD22      ASN   6  11.224  17.372  13.295
   31    HA   PRO   7           HA       PRO   7  16.352  12.820  17.466
   32    HB2  PRO   7           HB3      PRO   7  15.908  10.315  18.481
   33    HB3  PRO   7           HB2      PRO   7  15.298  11.825  19.244
   34    HG2  PRO   7           HG3      PRO   7  13.742  10.049  17.260
   35    HG3  PRO   7           HG2      PRO   7  13.247  10.534  18.947
   36    HD2  PRO   7           HD3      PRO   7  12.392  11.954  16.846
   37    HD3  PRO   7           HD2      PRO   7  13.035  12.839  18.317
   38    H    ALA   8           H        ALA   8  16.009  12.822  14.851
   39    HA   ALA   8           HA       ALA   8  17.802  10.651  14.022
   40    HB1  ALA   8           HB1      ALA   8  15.796  10.141  12.868
   41    HB2  ALA   8           HB2      ALA   8  16.917  10.843  11.664
   42    HB3  ALA   8           HB3      ALA   8  15.535  11.813  12.306
   43    H    CYS   9           H        CYS   9  17.068  14.173  13.571
   44    HA   CYS   9           HA       CYS   9  19.516  14.463  12.137
   45    HB2  CYS   9           HB3      CYS   9  17.750  16.038  11.600
   46    HB3  CYS   9           HB2      CYS   9  17.702  16.660  13.274
   47    H    ARG  10           H        ARG  10  18.490  14.619  15.404
   48    HA   ARG  10           HA       ARG  10  20.735  15.940  16.451
   49    HB2  ARG  10           HB3      ARG  10  18.412  14.972  17.825
   50    HB3  ARG  10           HB2      ARG  10  19.394  13.562  18.002
   51    HG2  ARG  10           HG3      ARG  10  21.104  14.790  19.236
   52    HG3  ARG  10           HG2      ARG  10  20.275  16.348  18.879
   53    HD2  ARG  10           HD3      ARG  10  18.234  15.530  20.112
   54    HD3  ARG  10           HD2      ARG  10  19.112  13.995  20.518
   55    HE   ARG  10           HE       ARG  10  20.736  16.286  21.323
   56   HH11  ARG  10          HH11      ARG  10  17.632  14.776  22.286
   57   HH12  ARG  10          HH12      ARG  10  17.899  15.162  23.969
   58   HH21  ARG  10          HH21      ARG  10  20.916  16.881  23.344
   59   HH22  ARG  10          HH22      ARG  10  19.791  16.441  24.616
   60    H    THR  11           H        THR  11  20.082  12.448  16.263
   61    HA   THR  11           HA       THR  11  22.280  11.442  17.280
   62    HB   THR  11           HB       THR  11  20.886  10.050  14.997
   63    HG1  THR  11           HG1      THR  11  19.089   9.843  16.252
   64   HG21  THR  11          HG21      THR  11  22.466   8.801  16.571
   65   HG22  THR  11          HG22      THR  11  20.759   8.261  16.774
   66   HG23  THR  11          HG23      THR  11  21.495   9.388  17.973
   67    H    ASN  12           H        ASN  12  22.446  13.231  14.631
   68    HA   ASN  12           HA       ASN  12  24.746  11.731  13.536
   69    HB2  ASN  12           HB3      ASN  12  22.598  12.038  11.883
   70    HB3  ASN  12           HB2      ASN  12  23.055  13.744  11.865
   71   HD21  ASN  12          HD21      ASN  12  24.810  10.545  11.569
   72   HD22  ASN  12          HD22      ASN  12  25.683  11.039  10.141
   73    H    HIS  13           H        HIS  13  23.931  14.668  15.154
   74    HA   HIS  13           HA       HIS  13  26.566  15.554  14.869
   75    HB2  HIS  13           HB3      HIS  13  26.259  17.206  12.984
   76    HB3  HIS  13           HB2      HIS  13  24.953  16.044  12.591
   77    HD1  HIS  13           HD1      HIS  13  25.598  19.411  13.400
   78    HD2  HIS  13           HD2      HIS  13  22.356  16.778  13.318
   79    HE1  HIS  13           HE1      HIS  13  23.553  20.788  13.932
   80    HE2  HIS  13           HE2      HIS  13  21.577  19.288  13.383
   81    HA   PRO  14           HA       PRO  14  23.266  16.742  17.577
   82    HB2  PRO  14           HB3      PRO  14  23.837  15.763  20.164
   83    HB3  PRO  14           HB2      PRO  14  23.208  14.727  18.835
   84    HG2  PRO  14           HG3      PRO  14  26.166  15.162  19.551
   85    HG3  PRO  14           HG2      PRO  14  25.275  13.583  19.423
   86    HD2  PRO  14           HD3      PRO  14  26.653  14.465  17.284
   87    HD3  PRO  14           HD2      PRO  14  24.953  13.875  17.044
   88    H    GLU  15           H        GLU  15  26.498  17.489  18.192
   89    HA   GLU  15           HA       GLU  15  26.187  18.929  20.600
   90    HB2  GLU  15           HB3      GLU  15  28.290  17.807  19.975
   91    HB3  GLU  15           HB2      GLU  15  28.564  18.985  18.662
   92    HG2  GLU  15           HG3      GLU  15  29.965  19.464  20.562
   93    HG3  GLU  15           HG2      GLU  15  28.807  20.802  20.323
   94    H    VAL  16           H        VAL  16  25.378  19.809  17.444
   95    HA   VAL  16           HA       VAL  16  25.738  22.620  17.781
   96    HB   VAL  16           HB       VAL  16  24.086  21.075  15.751
   97   HG11  VAL  16          HG11      VAL  16  24.698  23.171  14.372
   98   HG12  VAL  16          HG12      VAL  16  25.350  23.915  15.865
   99   HG13  VAL  16          HG13      VAL  16  23.591  23.540  15.739
  100   HG21  VAL  16          HG21      VAL  16  26.200  21.421  14.348
  101   HG22  VAL  16          HG22      VAL  16  26.368  20.187  15.646
  102   HG23  VAL  16          HG23      VAL  16  27.066  21.840  15.863
  103    H    CYS  17           H        CYS  17  23.344  20.312  18.751
  104    HA   CYS  17           HA       CYS  17  21.845  22.574  19.674
  105    HB2  CYS  17           HB3      CYS  17  19.589  21.215  19.078
  106    HB3  CYS  17           HB2      CYS  17  20.639  21.019  17.673
  107    H    ASP  18           H        ASP  18  22.360  19.142  20.683
  108    HA   ASP  18           HA       ASP  18  23.493  20.001  22.926
  109    HB2  ASP  18           HB3      ASP  18  20.428  19.553  23.086
  110    HB3  ASP  18           HB2      ASP  18  21.331  18.756  24.378
  Start of MODEL    6
    1    H1   GLU   1           H1       GLU   1  20.100  26.156  17.441
    2    H2   GLU   1           H2       GLU   1  18.847  26.625  18.455
    3    H3   GLU   1           H3       GLU   1  18.556  26.475  16.790
    4    HA   GLU   1           HA       GLU   1  19.560  24.097  17.521
    5    HB2  GLU   1           HB3      GLU   1  17.461  25.061  19.611
    6    HB3  GLU   1           HB2      GLU   1  18.163  23.463  19.625
    7    HG2  GLU   1           HG3      GLU   1  19.317  24.470  21.304
    8    HG3  GLU   1           HG2      GLU   1  20.496  24.688  19.973
    9    H    GLY   2           H        GLY   2  18.655  23.105  15.914
   10    HA2  GLY   2           HA3      GLY   2  15.681  23.307  15.586
   11    HA3  GLY   2           HA2      GLY   2  16.624  23.373  14.186
   12    H    CYS   3           H        CYS   3  18.085  21.101  16.311
   13    HA   CYS   3           HA       CYS   3  16.429  18.998  14.925
   14    HB2  CYS   3           HB3      CYS   3  19.525  18.857  14.955
   15    HB3  CYS   3           HB2      CYS   3  18.489  17.537  14.664
   16    H    CYS   4           H        CYS   4  17.155  20.111  17.840
   17    HA   CYS   4           HA       CYS   4  17.510  17.464  18.966
   18    HB2  CYS   4           HB3      CYS   4  17.627  20.202  20.358
   19    HB3  CYS   4           HB2      CYS   4  17.260  18.795  21.298
   20    H    SER   5           H        SER   5  15.644  16.661  18.077
   21    HA   SER   5           HA       SER   5  13.592  16.422  19.928
   22    HB2  SER   5           HB3      SER   5  11.641  17.396  18.570
   23    HB3  SER   5           HB2      SER   5  12.737  18.632  19.212
   24    HG   SER   5           HG       SER   5  12.218  18.938  17.042
   25    H    ASN   6           H        ASN   6  13.997  16.396  16.394
   26    HA   ASN   6           HA       ASN   6  12.625  13.991  16.224
   27    HB2  ASN   6           HB3      ASN   6  14.507  15.348  14.079
   28    HB3  ASN   6           HB2      ASN   6  13.204  14.345  13.580
   29   HD21  ASN   6          HD21      ASN   6  10.923  15.218  14.677
   30   HD22  ASN   6          HD22      ASN   6  10.742  16.936  14.429
   31    HA   PRO   7           HA       PRO   7  16.587  12.062  17.002
   32    HB2  PRO   7           HB3      PRO   7  15.993   9.454  17.541
   33    HB3  PRO   7           HB2      PRO   7  15.438  10.806  18.598
   34    HG2  PRO   7           HG3      PRO   7  13.844   9.498  16.303
   35    HG3  PRO   7           HG2      PRO   7  13.345   9.671  18.044
   36    HD2  PRO   7           HD3      PRO   7  12.610  11.499  16.158
   37    HD3  PRO   7           HD2      PRO   7  13.109  12.042  17.830
   38    H    ALA   8           H        ALA   8  15.911  12.501  14.394
   39    HA   ALA   8           HA       ALA   8  17.606  10.485  13.073
   40    HB1  ALA   8           HB1      ALA   8  16.485  10.900  10.896
   41    HB2  ALA   8           HB2      ALA   8  15.237  11.908  11.723
   42    HB3  ALA   8           HB3      ALA   8  15.421  10.180  12.146
   43    H    CYS   9           H        CYS   9  16.899  14.016  13.256
   44    HA   CYS   9           HA       CYS   9  19.301  14.474  11.699
   45    HB2  CYS   9           HB3      CYS   9  17.526  15.984  11.166
   46    HB3  CYS   9           HB2      CYS   9  17.305  16.489  12.855
   47    H    ARG  10           H        ARG  10  18.185  14.503  14.983
   48    HA   ARG  10           HA       ARG  10  20.317  16.027  16.018
   49    HB2  ARG  10           HB3      ARG  10  17.971  15.002  17.367
   50    HB3  ARG  10           HB2      ARG  10  19.007  13.669  17.638
   51    HG2  ARG  10           HG3      ARG  10  20.722  15.171  18.734
   52    HG3  ARG  10           HG2      ARG  10  19.565  16.514  18.546
   53    HD2  ARG  10           HD3      ARG  10  18.000  15.579  20.077
   54    HD3  ARG  10           HD2      ARG  10  18.627  13.909  19.868
   55    HE   ARG  10           HE       ARG  10  20.082  16.133  21.384
   56   HH11  ARG  10          HH21      ARG  10  19.781  12.609  20.758
   57   HH12  ARG  10          HH22      ARG  10  20.418  12.212  22.305
   58   HH21  ARG  10          HH11      ARG  10  21.089  15.578  23.149
   59   HH22  ARG  10          HH12      ARG  10  21.184  13.938  23.743
   60    H    THR  11           H        THR  11  19.886  12.520  16.067
   61    HA   THR  11           HA       THR  11  21.866  11.787  17.625
   62    HB   THR  11           HB       THR  11  21.029  10.168  15.213
   63    HG1  THR  11           HG1      THR  11  19.189   9.749  16.332
   64   HG21  THR  11          HG21      THR  11  22.529   9.082  16.947
   65   HG22  THR  11          HG22      THR  11  20.846   8.431  17.064
   66   HG23  THR  11          HG23      THR  11  21.403   9.653  18.256
   67    H    ASN  12           H        ASN  12  22.349  13.066  14.606
   68    HA   ASN  12           HA       ASN  12  24.875  11.583  14.232
   69    HB2  ASN  12           HB3      ASN  12  22.979  12.748  12.032
   70    HB3  ASN  12           HB2      ASN  12  24.633  12.338  11.653
   71   HD21  ASN  12          HD21      ASN  12  24.611  10.469  10.564
   72   HD22  ASN  12          HD22      ASN  12  23.660   9.069  10.953
   73    H    HIS  13           H        HIS  13  23.729  14.632  15.129
   74    HA   HIS  13           HA       HIS  13  26.371  15.607  14.959
   75    HB2  HIS  13           HB3      HIS  13  26.063  17.221  13.045
   76    HB3  HIS  13           HB2      HIS  13  24.912  15.925  12.602
   77    HD1  HIS  13           HD1      HIS  13  25.071  19.378  13.601
   78    HD2  HIS  13           HD2      HIS  13  22.292  16.370  12.845
   79    HE1  HIS  13           HE1      HIS  13  22.841  20.485  13.771
   80    HE2  HIS  13           HE2      HIS  13  21.155  18.750  12.910
   81    HA   PRO  14           HA       PRO  14  22.975  16.634  17.592
   82    HB2  PRO  14           HB3      PRO  14  23.497  15.667  20.156
   83    HB3  PRO  14           HB2      PRO  14  22.945  14.636  18.784
   84    HG2  PRO  14           HG3      PRO  14  25.855  15.136  19.645
   85    HG3  PRO  14           HG2      PRO  14  25.030  13.538  19.422
   86    HD2  PRO  14           HD3      PRO  14  26.502  14.595  17.418
   87    HD3  PRO  14           HD2      PRO  14  24.868  13.863  17.051
   88    H    GLU  15           H        GLU  15  26.157  17.677  18.052
   89    HA   GLU  15           HA       GLU  15  25.713  19.151  20.483
   90    HB2  GLU  15           HB3      GLU  15  27.889  18.025  19.951
   91    HB3  GLU  15           HB2      GLU  15  28.176  19.245  18.672
   92    HG2  GLU  15           HG3      GLU  15  28.156  21.058  20.424
   93    HG3  GLU  15           HG2      GLU  15  27.754  19.820  21.675
   94    H    VAL  16           H        VAL  16  24.966  19.741  17.282
   95    HA   VAL  16           HA       VAL  16  25.224  22.615  17.449
   96    HB   VAL  16           HB       VAL  16  23.927  20.882  15.339
   97   HG11  VAL  16          HG11      VAL  16  23.305  23.281  15.048
   98   HG12  VAL  16          HG12      VAL  16  24.604  22.882  13.881
   99   HG13  VAL  16          HG13      VAL  16  25.002  23.793  15.376
  100   HG21  VAL  16          HG21      VAL  16  26.266  20.133  15.570
  101   HG22  VAL  16          HG22      VAL  16  26.831  21.832  15.785
  102   HG23  VAL  16          HG23      VAL  16  26.210  21.295  14.195
  103    H    CYS  17           H        CYS  17  23.317  20.494  18.900
  104    HA   CYS  17           HA       CYS  17  21.590  22.635  19.470
  105    HB2  CYS  17           HB3      CYS  17  19.341  21.132  19.067
  106    HB3  CYS  17           HB2      CYS  17  20.311  21.030  17.587
  107    H    ASP  18           H        ASP  18  22.233  19.378  20.737
  108    HA   ASP  18           HA       ASP  18  21.285  19.878  23.091
  109    HB2  ASP  18           HB3      ASP  18  24.165  18.676  22.537
  110    HB3  ASP  18           HB2      ASP  18  23.537  18.596  24.109
  Start of MODEL    7
    1    H1   GLU   1           H1       GLU   1  17.871  25.295  18.491
    2    H2   GLU   1           H2       GLU   1  18.944  26.457  17.931
    3    H3   GLU   1           H3       GLU   1  19.487  24.911  18.122
    4    HA   GLU   1           HA       GLU   1  17.948  26.178  16.056
    5    HB2  GLU   1           HB3      GLU   1  19.979  23.831  16.162
    6    HB3  GLU   1           HB2      GLU   1  19.396  24.500  14.629
    7    HG2  GLU   1           HG3      GLU   1  20.261  26.769  15.278
    8    HG3  GLU   1           HG2      GLU   1  21.027  26.055  16.733
    9    H    GLY   2           H        GLY   2  17.914  23.433  14.630
   10    HA2  GLY   2           HA3      GLY   2  15.125  22.866  15.632
   11    HA3  GLY   2           HA2      GLY   2  15.409  22.939  13.986
   12    H    CYS   3           H        CYS   3  17.998  21.376  15.765
   13    HA   CYS   3           HA       CYS   3  16.786  18.791  14.793
   14    HB2  CYS   3           HB3      CYS   3  19.772  19.444  14.404
   15    HB3  CYS   3           HB2      CYS   3  19.094  17.888  14.306
   16    H    CYS   4           H        CYS   4  16.999  20.180  17.386
   17    HA   CYS   4           HA       CYS   4  17.577  17.644  18.682
   18    HB2  CYS   4           HB3      CYS   4  17.565  19.386  20.927
   19    HB3  CYS   4           HB2      CYS   4  19.076  19.341  20.053
   20    H    SER   5           H        SER   5  15.718  16.737  18.261
   21    HA   SER   5           HA       SER   5  13.512  17.465  19.796
   22    HB2  SER   5           HB3      SER   5  11.938  18.089  17.816
   23    HB3  SER   5           HB2      SER   5  13.097  19.340  18.307
   24    HG   SER   5           HG       SER   5  13.256  19.257  16.211
   25    H    ASN   6           H        ASN   6  14.189  15.949  16.610
   26    HA   ASN   6           HA       ASN   6  12.708  13.648  17.635
   27    HB2  ASN   6           HB3      ASN   6  11.837  14.911  15.301
   28    HB3  ASN   6           HB2      ASN   6  13.299  14.253  14.610
   29   HD21  ASN   6          HD21      ASN   6  12.563  12.578  13.336
   30   HD22  ASN   6          HD22      ASN   6  11.667  11.223  13.954
   31    HA   PRO   7           HA       PRO   7  16.673  12.306  17.834
   32    HB2  PRO   7           HB3      PRO   7  16.677   9.524  17.861
   33    HB3  PRO   7           HB2      PRO   7  16.073  10.590  19.177
   34    HG2  PRO   7           HG3      PRO   7  14.419   9.346  16.902
   35    HG3  PRO   7           HG2      PRO   7  14.099   9.256  18.691
   36    HD2  PRO   7           HD3      PRO   7  12.866  11.104  17.159
   37    HD3  PRO   7           HD2      PRO   7  13.552  11.611  18.779
   38    H    ALA   8           H        ALA   8  15.609  12.475  14.934
   39    HA   ALA   8           HA       ALA   8  17.436  10.611  13.593
   40    HB1  ALA   8           HB1      ALA   8  16.037  10.789  11.592
   41    HB2  ALA   8           HB2      ALA   8  14.894  11.890  12.445
   42    HB3  ALA   8           HB3      ALA   8  15.126  10.212  13.014
   43    H    CYS   9           H        CYS   9  16.619  14.134  13.663
   44    HA   CYS   9           HA       CYS   9  18.783  14.521  11.769
   45    HB2  CYS   9           HB3      CYS   9  16.850  16.013  11.559
   46    HB3  CYS   9           HB2      CYS   9  17.138  16.671  13.187
   47    H    ARG  10           H        ARG  10  18.203  14.554  15.111
   48    HA   ARG  10           HA       ARG  10  20.497  15.991  15.933
   49    HB2  ARG  10           HB3      ARG  10  18.356  14.965  17.556
   50    HB3  ARG  10           HB2      ARG  10  19.302  13.505  17.438
   51    HG2  ARG  10           HG3      ARG  10  21.245  14.879  18.513
   52    HG3  ARG  10           HG2      ARG  10  19.954  16.070  18.887
   53    HD2  ARG  10           HD3      ARG  10  18.630  14.273  20.053
   54    HD3  ARG  10           HD2      ARG  10  19.873  13.049  19.565
   55    HE   ARG  10           HE       ARG  10  21.232  15.164  20.988
   56   HH11  ARG  10          HH21      ARG  10  18.847  12.556  21.747
   57   HH12  ARG  10          HH22      ARG  10  19.799  12.053  23.117
   58   HH21  ARG  10          HH11      ARG  10  22.141  14.656  22.895
   59   HH22  ARG  10          HH12      ARG  10  21.530  13.381  23.914
   60    H    THR  11           H        THR  11  20.156  12.571  15.399
   61    HA   THR  11           HA       THR  11  22.360  11.745  16.782
   62    HB   THR  11           HB       THR  11  20.426  10.456  15.855
   63    HG1  THR  11           HG1      THR  11  21.850   8.600  15.471
   64   HG21  THR  11          HG21      THR  11  20.668   9.349  13.677
   65   HG22  THR  11          HG22      THR  11  22.240  10.154  13.367
   66   HG23  THR  11          HG23      THR  11  20.729  11.127  13.415
   67    H    ASN  12           H        ASN  12  22.454  13.540  14.141
   68    HA   ASN  12           HA       ASN  12  24.915  12.314  13.069
   69    HB2  ASN  12           HB3      ASN  12  22.916  14.215  11.562
   70    HB3  ASN  12           HB2      ASN  12  24.467  13.783  10.886
   71   HD21  ASN  12          HD21      ASN  12  24.927  11.329  10.737
   72   HD22  ASN  12          HD22      ASN  12  23.572  10.293  10.414
   73    H    HIS  13           H        HIS  13  23.814  15.061  14.842
   74    HA   HIS  13           HA       HIS  13  26.519  15.745  15.206
   75    HB2  HIS  13           HB3      HIS  13  25.759  18.345  14.601
   76    HB3  HIS  13           HB2      HIS  13  26.073  17.302  13.193
   77    HD1  HIS  13           HD1      HIS  13  22.762  17.739  15.154
   78    HD2  HIS  13           HD2      HIS  13  24.620  17.666  11.431
   79    HE1  HIS  13           HE1      HIS  13  20.925  17.532  13.507
   80    HE2  HIS  13           HE2      HIS  13  21.996  17.888  11.191
   81    HA   PRO  14           HA       PRO  14  23.132  16.173  18.018
   82    HB2  PRO  14           HB3      PRO  14  24.868  14.936  20.250
   83    HB3  PRO  14           HB2      PRO  14  23.105  14.766  19.954
   84    HG2  PRO  14           HG3      PRO  14  24.825  12.847  19.065
   85    HG3  PRO  14           HG2      PRO  14  23.443  13.430  18.030
   86    HD2  PRO  14           HD3      PRO  14  26.397  14.253  17.873
   87    HD3  PRO  14           HD2      PRO  14  25.237  13.783  16.547
   88    H    GLU  15           H        GLU  15  26.344  17.359  18.537
   89    HA   GLU  15           HA       GLU  15  25.770  18.749  20.984
   90    HB2  GLU  15           HB3      GLU  15  28.007  17.592  20.441
   91    HB3  GLU  15           HB2      GLU  15  28.354  18.978  19.384
   92    HG2  GLU  15           HG3      GLU  15  27.906  20.472  21.507
   93    HG3  GLU  15           HG2      GLU  15  27.824  18.931  22.419
   94    H    VAL  16           H        VAL  16  25.370  19.506  17.614
   95    HA   VAL  16           HA       VAL  16  25.852  22.281  17.985
   96    HB   VAL  16           HB       VAL  16  24.285  21.028  15.728
   97   HG11  VAL  16          HG11      VAL  16  25.326  22.989  14.534
   98   HG12  VAL  16          HG12      VAL  16  25.992  23.576  16.088
   99   HG13  VAL  16          HG13      VAL  16  24.202  23.512  15.833
  100   HG21  VAL  16          HG21      VAL  16  27.334  21.365  16.181
  101   HG22  VAL  16          HG22      VAL  16  26.566  20.943  14.616
  102   HG23  VAL  16          HG23      VAL  16  26.488  19.785  15.989
  103    H    CYS  17           H        CYS  17  23.311  20.128  18.679
  104    HA   CYS  17           HA       CYS  17  21.578  22.435  19.229
  105    HB2  CYS  17           HB3      CYS  17  21.014  20.715  17.162
  106    HB3  CYS  17           HB2      CYS  17  20.354  19.732  18.428
  107    H    ASP  18           H        ASP  18  22.286  19.174  20.715
  108    HA   ASP  18           HA       ASP  18  20.602  20.330  22.798
  109    HB2  ASP  18           HB3      ASP  18  19.731  17.901  21.573
  110    HB3  ASP  18           HB2      ASP  18  20.950  17.265  22.671
  Start of MODEL    8
    1    H1   GLU   1           H1       GLU   1  18.093  26.754  18.371
    2    H2   GLU   1           H2       GLU   1  19.150  25.602  17.741
    3    H3   GLU   1           H3       GLU   1  18.727  25.575  19.371
    4    HA   GLU   1           HA       GLU   1  17.443  23.932  18.612
    5    HB2  GLU   1           HB3      GLU   1  15.801  26.519  18.107
    6    HB3  GLU   1           HB2      GLU   1  15.028  24.953  18.337
    7    HG2  GLU   1           HG3      GLU   1  16.653  26.536  20.417
    8    HG3  GLU   1           HG2      GLU   1  14.892  26.204  20.403
    9    H    GLY   2           H        GLY   2  18.319  23.017  16.801
   10    HA2  GLY   2           HA3      GLY   2  16.514  23.459  14.500
   11    HA3  GLY   2           HA2      GLY   2  18.114  23.268  14.064
   12    H    CYS   3           H        CYS   3  18.473  20.872  16.088
   13    HA   CYS   3           HA       CYS   3  16.410  19.132  14.780
   14    HB2  CYS   3           HB3      CYS   3  19.414  18.401  14.692
   15    HB3  CYS   3           HB2      CYS   3  18.134  17.290  14.483
   16    H    CYS   4           H        CYS   4  17.441  20.111  17.662
   17    HA   CYS   4           HA       CYS   4  17.199  17.536  18.844
   18    HB2  CYS   4           HB3      CYS   4  16.994  19.256  21.083
   19    HB3  CYS   4           HB2      CYS   4  18.595  19.082  20.434
   20    H    SER   5           H        SER   5  15.515  16.836  18.004
   21    HA   SER   5           HA       SER   5  13.059  17.180  19.287
   22    HB2  SER   5           HB3      SER   5  11.730  18.069  17.277
   23    HB3  SER   5           HB2      SER   5  12.801  19.268  18.017
   24    HG   SER   5           HG       SER   5  13.700  19.497  16.247
   25    H    ASN   6           H        ASN   6  14.286  16.303  16.054
   26    HA   ASN   6           HA       ASN   6  12.712  13.894  16.308
   27    HB2  ASN   6           HB3      ASN   6  12.795  15.190  13.890
   28    HB3  ASN   6           HB2      ASN   6  14.478  14.727  13.862
   29   HD21  ASN   6          HD21      ASN   6  11.164  13.391  13.738
   30   HD22  ASN   6          HD22      ASN   6  11.712  11.851  13.113
   31    HA   PRO   7           HA       PRO   7  16.427  12.113  17.661
   32    HB2  PRO   7           HB3      PRO   7  15.889   9.447  17.912
   33    HB3  PRO   7           HB2      PRO   7  15.015  10.701  18.861
   34    HG2  PRO   7           HG3      PRO   7  14.106   9.453  16.192
   35    HG3  PRO   7           HG2      PRO   7  13.177   9.512  17.756
   36    HD2  PRO   7           HD3      PRO   7  12.840  11.395  15.819
   37    HD3  PRO   7           HD2      PRO   7  12.860  11.842  17.607
   38    H    ALA   8           H        ALA   8  15.953  12.162  14.513
   39    HA   ALA   8           HA       ALA   8  18.272  10.405  14.021
   40    HB1  ALA   8           HB1      ALA   8  16.360   9.515  12.869
   41    HB2  ALA   8           HB2      ALA   8  17.547  10.134  11.693
   42    HB3  ALA   8           HB3      ALA   8  16.032  11.056  12.026
   43    H    CYS   9           H        CYS   9  17.007  13.673  13.343
   44    HA   CYS   9           HA       CYS   9  19.427  14.270  11.886
   45    HB2  CYS   9           HB3      CYS   9  17.486  15.456  11.145
   46    HB3  CYS   9           HB2      CYS   9  17.170  16.171  12.739
   47    H    ARG  10           H        ARG  10  18.248  14.481  15.028
   48    HA   ARG  10           HA       ARG  10  20.297  16.156  16.156
   49    HB2  ARG  10           HB3      ARG  10  17.900  15.068  17.407
   50    HB3  ARG  10           HB2      ARG  10  18.905  13.701  17.592
   51    HG2  ARG  10           HG3      ARG  10  20.572  15.089  18.930
   52    HG3  ARG  10           HG2      ARG  10  19.334  16.386  18.923
   53    HD2  ARG  10           HD3      ARG  10  17.677  14.875  19.989
   54    HD3  ARG  10           HD2      ARG  10  18.800  13.471  19.781
   55    HE   ARG  10           HE       ARG  10  19.628  15.875  21.437
   56   HH11  ARG  10          HH11      ARG  10  19.135  12.330  21.405
   57   HH12  ARG  10          HH12      ARG  10  19.020  12.274  23.110
   58   HH21  ARG  10          HH21      ARG  10  19.540  15.663  23.646
   59   HH22  ARG  10          HH22      ARG  10  18.881  14.230  24.322
   60    H    THR  11           H        THR  11  19.888  12.658  16.197
   61    HA   THR  11           HA       THR  11  22.211  12.048  17.471
   62    HB   THR  11           HB       THR  11  20.555  10.369  15.556
   63    HG1  THR  11           HG1      THR  11  19.225  10.086  17.282
   64   HG21  THR  11          HG21      THR  11  22.576   9.180  16.563
   65   HG22  THR  11          HG22      THR  11  21.036   8.565  17.241
   66   HG23  THR  11          HG23      THR  11  22.047   9.707  18.208
   67    H    ASN  12           H        ASN  12  22.098  13.422  14.630
   68    HA   ASN  12           HA       ASN  12  24.474  12.024  13.621
   69    HB2  ASN  12           HB3      ASN  12  22.094  12.330  12.074
   70    HB3  ASN  12           HB2      ASN  12  23.120  13.655  11.477
   71   HD21  ASN  12          HD21      ASN  12  22.288  10.679  10.648
   72   HD22  ASN  12          HD22      ASN  12  23.803  10.015  10.105
   73    H    HIS  13           H        HIS  13  23.286  15.191  14.704
   74    HA   HIS  13           HA       HIS  13  26.075  15.615  14.870
   75    HB2  HIS  13           HB3      HIS  13  25.513  18.228  14.245
   76    HB3  HIS  13           HB2      HIS  13  25.700  17.109  12.839
   77    HD1  HIS  13           HD1      HIS  13  22.796  18.087  14.983
   78    HD2  HIS  13           HD2      HIS  13  24.067  17.443  11.088
   79    HE1  HIS  13           HE1      HIS  13  20.745  18.421  13.572
   80    HE2  HIS  13           HE2      HIS  13  21.559  18.284  11.116
   81    HA   PRO  14           HA       PRO  14  23.116  16.498  18.044
   82    HB2  PRO  14           HB3      PRO  14  24.205  15.502  20.447
   83    HB3  PRO  14           HB2      PRO  14  23.240  14.565  19.243
   84    HG2  PRO  14           HG3      PRO  14  26.300  14.814  19.389
   85    HG3  PRO  14           HG2      PRO  14  25.306  13.300  19.273
   86    HD2  PRO  14           HD3      PRO  14  26.406  14.347  17.090
   87    HD3  PRO  14           HD2      PRO  14  24.649  13.824  16.998
   88    H    GLU  15           H        GLU  15  26.422  17.340  18.143
   89    HA   GLU  15           HA       GLU  15  26.427  19.114  20.338
   90    HB2  GLU  15           HB3      GLU  15  28.481  18.000  19.536
   91    HB3  GLU  15           HB2      GLU  15  28.430  18.965  18.025
   92    HG2  GLU  15           HG3      GLU  15  28.702  21.049  19.522
   93    HG3  GLU  15           HG2      GLU  15  28.985  19.904  20.882
   94    H    VAL  16           H        VAL  16  25.110  19.496  17.164
   95    HA   VAL  16           HA       VAL  16  25.380  22.334  17.141
   96    HB   VAL  16           HB       VAL  16  23.533  20.507  15.574
   97   HG11  VAL  16          HG11      VAL  16  24.373  23.461  15.202
   98   HG12  VAL  16          HG12      VAL  16  22.709  22.905  15.607
   99   HG13  VAL  16          HG13      VAL  16  23.443  22.478  14.023
  100   HG21  VAL  16          HG21      VAL  16  25.241  20.844  13.793
  101   HG22  VAL  16          HG22      VAL  16  26.014  20.052  15.219
  102   HG23  VAL  16          HG23      VAL  16  26.255  21.810  14.915
  103    H    CYS  17           H        CYS  17  23.212  20.049  18.549
  104    HA   CYS  17           HA       CYS  17  21.421  22.281  19.242
  105    HB2  CYS  17           HB3      CYS  17  20.714  20.185  17.526
  106    HB3  CYS  17           HB2      CYS  17  20.154  19.528  19.047
  107    H    ASP  18           H        ASP  18  22.655  19.327  20.788
  108    HA   ASP  18           HA       ASP  18  20.998  20.118  23.012
  109    HB2  ASP  18           HB3      ASP  18  22.519  17.363  22.567
  110    HB3  ASP  18           HB2      ASP  18  22.259  17.898  24.145
  Start of MODEL    9
    1    H1   GLU   1           H1       GLU   1  19.586  23.771  15.959
    2    H2   GLU   1           H2       GLU   1  19.859  24.071  17.634
    3    H3   GLU   1           H3       GLU   1  20.246  25.213  16.518
    4    HA   GLU   1           HA       GLU   1  18.201  25.469  17.910
    5    HB2  GLU   1           HB3      GLU   1  19.112  26.775  15.766
    6    HB3  GLU   1           HB2      GLU   1  17.873  25.886  14.871
    7    HG2  GLU   1           HG3      GLU   1  16.109  26.920  16.406
    8    HG3  GLU   1           HG2      GLU   1  17.423  27.750  17.305
    9    H    GLY   2           H        GLY   2  17.633  23.430  15.095
   10    HA2  GLY   2           HA3      GLY   2  14.963  22.797  16.323
   11    HA3  GLY   2           HA2      GLY   2  15.040  23.006  14.668
   12    H    CYS   3           H        CYS   3  17.873  21.367  15.671
   13    HA   CYS   3           HA       CYS   3  16.494  18.874  14.707
   14    HB2  CYS   3           HB3      CYS   3  19.605  19.049  15.034
   15    HB3  CYS   3           HB2      CYS   3  18.719  17.704  14.605
   16    H    CYS   4           H        CYS   4  17.243  20.205  17.678
   17    HA   CYS   4           HA       CYS   4  17.450  17.642  18.877
   18    HB2  CYS   4           HB3      CYS   4  17.437  19.493  21.047
   19    HB3  CYS   4           HB2      CYS   4  18.951  19.390  20.197
   20    H    SER   5           H        SER   5  15.657  16.853  18.876
   21    HA   SER   5           HA       SER   5  13.359  17.264  20.052
   22    HB2  SER   5           HB3      SER   5  12.952  19.473  19.127
   23    HB3  SER   5           HB2      SER   5  12.958  18.866  17.457
   24    HG   SER   5           HG       SER   5  11.080  17.775  17.931
   25    H    ASN   6           H        ASN   6  14.716  16.234  16.863
   26    HA   ASN   6           HA       ASN   6  12.851  14.028  17.021
   27    HB2  ASN   6           HB3      ASN   6  12.448  15.900  14.995
   28    HB3  ASN   6           HB2      ASN   6  13.976  15.304  14.384
   29   HD21  ASN   6          HD21      ASN   6  13.459  14.089  12.649
   30   HD22  ASN   6          HD22      ASN   6  12.244  12.851  12.610
   31    HA   PRO   7           HA       PRO   7  16.641  12.589  17.898
   32    HB2  PRO   7           HB3      PRO   7  16.664   9.851  17.531
   33    HB3  PRO   7           HB2      PRO   7  15.643  10.710  18.740
   34    HG2  PRO   7           HG3      PRO   7  14.798   9.883  15.889
   35    HG3  PRO   7           HG2      PRO   7  13.979   9.494  17.474
   36    HD2  PRO   7           HD3      PRO   7  13.161  11.648  16.005
   37    HD3  PRO   7           HD2      PRO   7  13.355  11.777  17.824
   38    H    ALA   8           H        ALA   8  15.844  12.609  14.764
   39    HA   ALA   8           HA       ALA   8  17.863  10.772  13.692
   40    HB1  ALA   8           HB1      ALA   8  16.464  10.709  11.633
   41    HB2  ALA   8           HB2      ALA   8  15.308  11.879  12.379
   42    HB3  ALA   8           HB3      ALA   8  15.545  10.253  13.098
   43    H    CYS   9           H        CYS   9  17.012  14.190  13.625
   44    HA   CYS   9           HA       CYS   9  19.309  14.618  11.855
   45    HB2  CYS   9           HB3      CYS   9  17.542  16.125  11.364
   46    HB3  CYS   9           HB2      CYS   9  17.398  16.688  13.027
   47    H    ARG  10           H        ARG  10  18.358  14.842  15.212
   48    HA   ARG  10           HA       ARG  10  20.618  16.139  16.188
   49    HB2  ARG  10           HB3      ARG  10  18.360  15.076  17.634
   50    HB3  ARG  10           HB2      ARG  10  19.379  13.696  17.690
   51    HG2  ARG  10           HG3      ARG  10  21.201  15.518  18.603
   52    HG3  ARG  10           HG2      ARG  10  19.672  16.364  19.013
   53    HD2  ARG  10           HD3      ARG  10  18.917  14.269  20.241
   54    HD3  ARG  10           HD2      ARG  10  20.524  13.509  19.856
   55    HE   ARG  10           HE       ARG  10  20.440  16.198  21.217
   56   HH11  ARG  10          HH21      ARG  10  21.075  12.722  21.707
   57   HH12  ARG  10          HH22      ARG  10  21.103  12.905  23.429
   58   HH21  ARG  10          HH11      ARG  10  20.492  16.358  23.430
   59   HH22  ARG  10          HH12      ARG  10  20.605  14.954  24.401
   60    H    THR  11           H        THR  11  20.182  12.621  16.025
   61    HA   THR  11           HA       THR  11  22.471  11.835  17.151
   62    HB   THR  11           HB       THR  11  20.517  10.524  16.536
   63    HG1  THR  11           HG1      THR  11  22.389   9.476  17.089
   64   HG21  THR  11          HG21      THR  11  20.271   9.536  14.311
   65   HG22  THR  11          HG22      THR  11  21.701  10.441  13.681
   66   HG23  THR  11          HG23      THR  11  20.215  11.323  14.184
   67    H    ASN  12           H        ASN  12  22.337  13.445  14.354
   68    HA   ASN  12           HA       ASN  12  24.610  12.058  13.108
   69    HB2  ASN  12           HB3      ASN  12  22.868  14.357  11.871
   70    HB3  ASN  12           HB2      ASN  12  24.229  13.676  11.020
   71   HD21  ASN  12          HD21      ASN  12  21.343  13.729  10.426
   72   HD22  ASN  12          HD22      ASN  12  20.918  12.059  10.122
   73    H    HIS  13           H        HIS  13  23.978  14.647  15.171
   74    HA   HIS  13           HA       HIS  13  26.640  15.322  15.354
   75    HB2  HIS  13           HB3      HIS  13  26.024  17.935  14.563
   76    HB3  HIS  13           HB2      HIS  13  26.368  16.777  13.235
   77    HD1  HIS  13           HD1      HIS  13  23.272  17.687  15.113
   78    HD2  HIS  13           HD2      HIS  13  24.702  16.608  11.369
   79    HE1  HIS  13           HE1      HIS  13  21.225  17.498  13.599
   80    HE2  HIS  13           HE2      HIS  13  22.121  16.805  11.331
   81    HA   PRO  14           HA       PRO  14  23.271  16.244  18.064
   82    HB2  PRO  14           HB3      PRO  14  24.822  15.188  20.475
   83    HB3  PRO  14           HB2      PRO  14  23.084  15.021  20.069
   84    HG2  PRO  14           HG3      PRO  14  24.863  12.981  19.511
   85    HG3  PRO  14           HG2      PRO  14  23.521  13.403  18.363
   86    HD2  PRO  14           HD3      PRO  14  26.462  14.187  18.212
   87    HD3  PRO  14           HD2      PRO  14  25.320  13.611  16.910
   88    H    GLU  15           H        GLU  15  26.518  17.342  18.580
   89    HA   GLU  15           HA       GLU  15  25.974  19.233  20.594
   90    HB2  GLU  15           HB3      GLU  15  28.183  18.321  20.355
   91    HB3  GLU  15           HB2      GLU  15  28.403  19.055  18.748
   92    HG2  GLU  15           HG3      GLU  15  27.816  20.726  21.251
   93    HG3  GLU  15           HG2      GLU  15  29.468  20.142  20.859
   94    H    VAL  16           H        VAL  16  25.267  19.327  17.196
   95    HA   VAL  16           HA       VAL  16  25.327  22.118  16.928
   96    HB   VAL  16           HB       VAL  16  23.656  20.024  15.492
   97   HG11  VAL  16          HG11      VAL  16  24.178  22.995  14.862
   98   HG12  VAL  16          HG12      VAL  16  22.573  22.238  15.176
   99   HG13  VAL  16          HG13      VAL  16  23.500  21.795  13.707
  100   HG21  VAL  16          HG21      VAL  16  26.231  19.846  15.323
  101   HG22  VAL  16          HG22      VAL  16  26.255  21.555  14.777
  102   HG23  VAL  16          HG23      VAL  16  25.444  20.318  13.769
  103    H    CYS  17           H        CYS  17  23.236  19.977  18.500
  104    HA   CYS  17           HA       CYS  17  21.491  22.230  19.177
  105    HB2  CYS  17           HB3      CYS  17  20.847  20.413  17.192
  106    HB3  CYS  17           HB2      CYS  17  20.154  19.545  18.531
  107    H    ASP  18           H        ASP  18  22.408  19.177  20.581
  108    HA   ASP  18           HA       ASP  18  22.416  18.654  22.860
  109    HB2  ASP  18           HB3      ASP  18  21.908  21.432  23.252
  110    HB3  ASP  18           HB2      ASP  18  20.368  20.733  23.655
  Start of MODEL   10
    1    H1   GLU   1           H1       GLU   1  17.303  26.037  18.949
    2    H2   GLU   1           H2       GLU   1  18.942  25.854  19.266
    3    H3   GLU   1           H3       GLU   1  17.949  24.524  19.427
    4    HA   GLU   1           HA       GLU   1  18.204  25.976  16.914
    5    HB2  GLU   1           HB3      GLU   1  19.616  23.359  17.798
    6    HB3  GLU   1           HB2      GLU   1  19.874  24.078  16.204
    7    HG2  GLU   1           HG3      GLU   1  20.851  25.090  18.917
    8    HG3  GLU   1           HG2      GLU   1  21.800  24.628  17.472
    9    H    GLY   2           H        GLY   2  18.224  23.319  15.547
   10    HA2  GLY   2           HA3      GLY   2  15.268  22.925  15.884
   11    HA3  GLY   2           HA2      GLY   2  15.860  23.121  14.329
   12    H    CYS   3           H        CYS   3  18.195  21.144  15.643
   13    HA   CYS   3           HA       CYS   3  16.472  18.820  14.794
   14    HB2  CYS   3           HB3      CYS   3  19.562  18.569  15.088
   15    HB3  CYS   3           HB2      CYS   3  18.507  17.372  14.590
   16    H    CYS   4           H        CYS   4  17.080  20.115  17.643
   17    HA   CYS   4           HA       CYS   4  17.552  17.484  18.878
   18    HB2  CYS   4           HB3      CYS   4  17.761  20.296  20.112
   19    HB3  CYS   4           HB2      CYS   4  17.457  18.931  21.142
   20    H    SER   5           H        SER   5  15.632  16.744  17.941
   21    HA   SER   5           HA       SER   5  13.484  16.808  19.712
   22    HB2  SER   5           HB3      SER   5  11.721  17.883  18.240
   23    HB3  SER   5           HB2      SER   5  12.969  19.040  18.729
   24    HG   SER   5           HG       SER   5  12.829  19.360  16.669
   25    H    ASN   6           H        ASN   6  13.973  16.451  16.218
   26    HA   ASN   6           HA       ASN   6  12.625  13.953  16.338
   27    HB2  ASN   6           HB3      ASN   6  14.155  15.333  13.952
   28    HB3  ASN   6           HB2      ASN   6  13.419  13.814  13.699
   29   HD21  ASN   6          HD21      ASN   6  11.051  13.575  14.361
   30   HD22  ASN   6          HD22      ASN   6  10.013  14.948  14.090
   31    HA   PRO   7           HA       PRO   7  16.673  12.132  16.958
   32    HB2  PRO   7           HB3      PRO   7  16.139   9.489  17.515
   33    HB3  PRO   7           HB2      PRO   7  15.852  10.853  18.652
   34    HG2  PRO   7           HG3      PRO   7  13.797   9.600  16.743
   35    HG3  PRO   7           HG2      PRO   7  13.632   9.878  18.540
   36    HD2  PRO   7           HD3      PRO   7  12.625  11.626  16.755
   37    HD3  PRO   7           HD2      PRO   7  13.485  12.234  18.255
   38    H    ALA   8           H        ALA   8  15.771  12.598  14.462
   39    HA   ALA   8           HA       ALA   8  17.112  10.504  12.857
   40    HB1  ALA   8           HB1      ALA   8  14.826  12.315  11.890
   41    HB2  ALA   8           HB2      ALA   8  14.759  10.562  12.232
   42    HB3  ALA   8           HB3      ALA   8  15.767  11.166  10.876
   43    H    CYS   9           H        CYS   9  16.918  14.030  13.392
   44    HA   CYS   9           HA       CYS   9  19.375  14.239  11.810
   45    HB2  CYS   9           HB3      CYS   9  17.767  15.882  11.199
   46    HB3  CYS   9           HB2      CYS   9  17.508  16.416  12.872
   47    H    ARG  10           H        ARG  10  18.187  14.440  15.100
   48    HA   ARG  10           HA       ARG  10  20.299  15.894  16.089
   49    HB2  ARG  10           HB3      ARG  10  18.010  14.857  17.498
   50    HB3  ARG  10           HB2      ARG  10  19.108  13.555  17.796
   51    HG2  ARG  10           HG3      ARG  10  20.749  15.159  18.838
   52    HG3  ARG  10           HG2      ARG  10  19.517  16.444  18.603
   53    HD2  ARG  10           HD3      ARG  10  17.895  15.103  20.015
   54    HD3  ARG  10           HD2      ARG  10  19.155  13.817  20.188
   55    HE   ARG  10           HE       ARG  10  19.734  16.672  21.084
   56   HH11  ARG  10          HH11      ARG  10  19.285  13.211  22.078
   57   HH12  ARG  10          HH12      ARG  10  19.941  13.576  23.650
   58   HH21  ARG  10          HH21      ARG  10  20.016  16.961  23.373
   59   HH22  ARG  10          HH22      ARG  10  20.368  15.558  24.314
   60    H    THR  11           H        THR  11  20.121  12.288  16.078
   61    HA   THR  11           HA       THR  11  22.355  11.846  17.546
   62    HB   THR  11           HB       THR  11  21.911   9.567  16.339
   63    HG1  THR  11           HG1      THR  11  19.851   9.526  15.451
   64   HG21  THR  11          HG21      THR  11  21.109  10.196  18.666
   65   HG22  THR  11          HG22      THR  11  19.890   9.216  17.777
   66   HG23  THR  11          HG23      THR  11  19.659  10.994  17.950
   67    H    ASN  12           H        ASN  12  22.349  13.209  14.670
   68    HA   ASN  12           HA       ASN  12  24.793  11.809  13.749
   69    HB2  ASN  12           HB3      ASN  12  22.580  11.912  12.103
   70    HB3  ASN  12           HB2      ASN  12  23.130  13.570  11.820
   71   HD21  ASN  12          HD21      ASN  12  24.131  13.531   9.831
   72   HD22  ASN  12          HD22      ASN  12  25.280  12.306   9.337
   73    H    HIS  13           H        HIS  13  23.833  14.632  15.246
   74    HA   HIS  13           HA       HIS  13  26.364  15.735  14.982
   75    HB2  HIS  13           HB3      HIS  13  25.907  17.555  13.287
   76    HB3  HIS  13           HB2      HIS  13  24.832  16.274  12.684
   77    HD1  HIS  13           HD1      HIS  13  24.912  19.565  13.441
   78    HD2  HIS  13           HD2      HIS  13  22.011  16.584  13.721
   79    HE1  HIS  13           HE1      HIS  13  22.813  20.703  14.214
   80    HE2  HIS  13           HE2      HIS  13  20.975  18.953  13.819
   81    HA   PRO  14           HA       PRO  14  23.041  16.630  17.805
   82    HB2  PRO  14           HB3      PRO  14  23.596  15.430  20.273
   83    HB3  PRO  14           HB2      PRO  14  22.977  14.517  18.850
   84    HG2  PRO  14           HG3      PRO  14  25.930  14.933  19.603
   85    HG3  PRO  14           HG2      PRO  14  25.068  13.345  19.381
   86    HD2  PRO  14           HD3      PRO  14  26.418  14.386  17.277
   87    HD3  PRO  14           HD2      PRO  14  24.722  13.794  17.026
   88    H    GLU  15           H        GLU  15  26.350  17.363  18.257
   89    HA   GLU  15           HA       GLU  15  26.081  18.733  20.765
   90    HB2  GLU  15           HB3      GLU  15  28.100  17.427  20.160
   91    HB3  GLU  15           HB2      GLU  15  28.539  18.655  18.940
   92    HG2  GLU  15           HG3      GLU  15  28.701  20.369  20.762
   93    HG3  GLU  15           HG2      GLU  15  28.278  19.102  21.972
   94    H    VAL  16           H        VAL  16  25.521  19.574  17.445
   95    HA   VAL  16           HA       VAL  16  25.929  22.338  17.801
   96    HB   VAL  16           HB       VAL  16  24.180  20.773  15.885
   97   HG11  VAL  16          HG11      VAL  16  25.067  23.742  15.921
   98   HG12  VAL  16          HG12      VAL  16  23.362  23.142  16.017
   99   HG13  VAL  16          HG13      VAL  16  24.323  22.916  14.516
  100   HG21  VAL  16          HG21      VAL  16  27.038  21.961  15.753
  101   HG22  VAL  16          HG22      VAL  16  26.133  21.371  14.325
  102   HG23  VAL  16          HG23      VAL  16  26.593  20.220  15.630
  103    H    CYS  17           H        CYS  17  23.007  20.251  18.185
  104    HA   CYS  17           HA       CYS  17  21.664  22.704  18.779
  105    HB2  CYS  17           HB3      CYS  17  19.463  21.103  18.432
  106    HB3  CYS  17           HB2      CYS  17  20.562  20.885  17.060
  107    H    ASP  18           H        ASP  18  22.722  20.172  20.750
  108    HA   ASP  18           HA       ASP  18  21.486  21.794  22.825
  109    HB2  ASP  18           HB3      ASP  18  21.694  18.661  22.817
  110    HB3  ASP  18           HB2      ASP  18  21.775  19.459  24.340
  Start of MODEL   11
    1    H1   GLU   1           H1       GLU   1  19.258  24.000  17.394
    2    H2   GLU   1           H2       GLU   1  18.276  23.756  18.763
    3    H3   GLU   1           H3       GLU   1  19.249  25.093  18.656
    4    HA   GLU   1           HA       GLU   1  17.028  25.729  18.203
    5    HB2  GLU   1           HB3      GLU   1  19.061  26.615  16.706
    6    HB3  GLU   1           HB2      GLU   1  18.448  25.540  15.459
    7    HG2  GLU   1           HG3      GLU   1  17.604  27.718  14.986
    8    HG3  GLU   1           HG2      GLU   1  16.178  26.819  15.590
    9    H    GLY   2           H        GLY   2  17.794  23.515  15.577
   10    HA2  GLY   2           HA3      GLY   2  14.863  22.850  15.510
   11    HA3  GLY   2           HA2      GLY   2  15.659  23.074  14.050
   12    H    CYS   3           H        CYS   3  17.730  21.383  16.274
   13    HA   CYS   3           HA       CYS   3  16.756  18.875  14.894
   14    HB2  CYS   3           HB3      CYS   3  19.747  19.641  14.931
   15    HB3  CYS   3           HB2      CYS   3  19.163  18.044  14.740
   16    H    CYS   4           H        CYS   4  17.085  20.118  17.838
   17    HA   CYS   4           HA       CYS   4  17.710  17.425  18.879
   18    HB2  CYS   4           HB3      CYS   4  17.993  20.137  20.270
   19    HB3  CYS   4           HB2      CYS   4  17.704  18.715  21.237
   20    H    SER   5           H        SER   5  15.701  16.946  17.829
   21    HA   SER   5           HA       SER   5  13.690  16.707  19.745
   22    HB2  SER   5           HB3      SER   5  12.767  18.813  19.507
   23    HB3  SER   5           HB2      SER   5  13.374  19.073  17.905
   24    HG   SER   5           HG       SER   5  11.623  18.213  17.106
   25    H    ASN   6           H        ASN   6  14.096  16.521  16.148
   26    HA   ASN   6           HA       ASN   6  12.608  14.127  16.314
   27    HB2  ASN   6           HB3      ASN   6  14.315  15.331  13.943
   28    HB3  ASN   6           HB2      ASN   6  13.434  13.897  13.693
   29   HD21  ASN   6          HD21      ASN   6  12.857  15.920  12.147
   30   HD22  ASN   6          HD22      ASN   6  11.317  16.646  12.544
   31    HA   PRO   7           HA       PRO   7  16.581  12.254  17.172
   32    HB2  PRO   7           HB3      PRO   7  15.977   9.612  17.708
   33    HB3  PRO   7           HB2      PRO   7  15.607  10.982  18.813
   34    HG2  PRO   7           HG3      PRO   7  13.729   9.744  16.711
   35    HG3  PRO   7           HG2      PRO   7  13.404   9.962  18.486
   36    HD2  PRO   7           HD3      PRO   7  12.530  11.785  16.733
   37    HD3  PRO   7           HD2      PRO   7  13.343  12.364  18.265
   38    H    ALA   8           H        ALA   8  15.939  12.694  14.577
   39    HA   ALA   8           HA       ALA   8  17.701  10.709  13.343
   40    HB1  ALA   8           HB1      ALA   8  16.680  11.014  11.100
   41    HB2  ALA   8           HB2      ALA   8  15.327  11.953  11.836
   42    HB3  ALA   8           HB3      ALA   8  15.601  10.251  12.305
   43    H    CYS   9           H        CYS   9  16.795  14.229  13.321
   44    HA   CYS   9           HA       CYS   9  19.160  14.740  11.809
   45    HB2  CYS   9           HB3      CYS   9  17.330  16.305  11.520
   46    HB3  CYS   9           HB2      CYS   9  17.388  16.781  13.240
   47    H    ARG  10           H        ARG  10  18.283  14.599  15.155
   48    HA   ARG  10           HA       ARG  10  20.607  15.857  16.129
   49    HB2  ARG  10           HB3      ARG  10  18.319  14.794  17.597
   50    HB3  ARG  10           HB2      ARG  10  19.378  13.453  17.699
   51    HG2  ARG  10           HG3      ARG  10  21.212  15.174  18.497
   52    HG3  ARG  10           HG2      ARG  10  19.807  16.246  18.768
   53    HD2  ARG  10           HD3      ARG  10  18.824  14.554  20.348
   54    HD3  ARG  10           HD2      ARG  10  20.177  13.409  19.967
   55    HE   ARG  10           HE       ARG  10  21.121  16.081  20.866
   56   HH11  ARG  10          HH11      ARG  10  19.849  12.990  22.204
   57   HH12  ARG  10          HH12      ARG  10  20.964  13.057  23.545
   58   HH21  ARG  10          HH21      ARG  10  22.503  16.056  22.722
   59   HH22  ARG  10          HH22      ARG  10  22.302  14.732  23.858
   60    H    THR  11           H        THR  11  19.909  12.417  15.693
   61    HA   THR  11           HA       THR  11  22.151  11.607  17.002
   62    HB   THR  11           HB       THR  11  20.613   9.747  15.220
   63    HG1  THR  11           HG1      THR  11  19.016   9.840  16.883
   64   HG21  THR  11          HG21      THR  11  20.687   8.409  17.327
   65   HG22  THR  11          HG22      THR  11  21.357   9.812  18.244
   66   HG23  THR  11          HG23      THR  11  22.352   8.998  16.979
   67    H    ASN  12           H        ASN  12  22.531  13.118  14.483
   68    HA   ASN  12           HA       ASN  12  24.807  11.470  13.645
   69    HB2  ASN  12           HB3      ASN  12  22.901  13.096  11.818
   70    HB3  ASN  12           HB2      ASN  12  24.601  13.012  11.347
   71   HD21  ASN  12          HD21      ASN  12  25.626  10.815  11.265
   72   HD22  ASN  12          HD22      ASN  12  24.634   9.497  10.722
   73    H    HIS  13           H        HIS  13  24.102  14.261  15.368
   74    HA   HIS  13           HA       HIS  13  26.658  15.293  15.107
   75    HB2  HIS  13           HB3      HIS  13  26.281  17.072  13.357
   76    HB3  HIS  13           HB2      HIS  13  25.207  15.806  12.742
   77    HD1  HIS  13           HD1      HIS  13  25.391  19.053  13.161
   78    HD2  HIS  13           HD2      HIS  13  22.406  16.370  14.360
   79    HE1  HIS  13           HE1      HIS  13  23.476  20.426  14.011
   80    HE2  HIS  13           HE2      HIS  13  21.561  18.845  14.401
   81    HA   PRO  14           HA       PRO  14  23.181  16.444  17.668
   82    HB2  PRO  14           HB3      PRO  14  23.568  15.423  20.240
   83    HB3  PRO  14           HB2      PRO  14  23.155  14.362  18.838
   84    HG2  PRO  14           HG3      PRO  14  25.981  15.048  19.808
   85    HG3  PRO  14           HG2      PRO  14  25.241  13.389  19.689
   86    HD2  PRO  14           HD3      PRO  14  26.677  14.288  17.578
   87    HD3  PRO  14           HD2      PRO  14  25.028  13.585  17.261
   88    H    GLU  15           H        GLU  15  26.383  17.342  18.300
   89    HA   GLU  15           HA       GLU  15  25.957  18.709  20.751
   90    HB2  GLU  15           HB3      GLU  15  28.103  17.725  20.302
   91    HB3  GLU  15           HB2      GLU  15  28.403  18.800  18.919
   92    HG2  GLU  15           HG3      GLU  15  28.347  20.788  20.425
   93    HG3  GLU  15           HG2      GLU  15  27.980  19.732  21.833
   94    H    VAL  16           H        VAL  16  25.404  19.702  17.447
   95    HA   VAL  16           HA       VAL  16  25.811  22.426  17.872
   96    HB   VAL  16           HB       VAL  16  24.061  21.011  15.850
   97   HG11  VAL  16          HG11      VAL  16  24.646  23.048  14.461
   98   HG12  VAL  16          HG12      VAL  16  25.476  23.771  15.883
   99   HG13  VAL  16          HG13      VAL  16  23.691  23.500  15.912
  100   HG21  VAL  16          HG21      VAL  16  26.163  21.203  14.419
  101   HG22  VAL  16          HG22      VAL  16  26.344  20.031  15.763
  102   HG23  VAL  16          HG23      VAL  16  27.078  21.674  15.892
  103    H    CYS  17           H        CYS  17  22.990  20.357  18.472
  104    HA   CYS  17           HA       CYS  17  21.517  22.783  19.028
  105    HB2  CYS  17           HB3      CYS  17  19.416  21.065  18.565
  106    HB3  CYS  17           HB2      CYS  17  20.529  21.004  17.194
  107    H    ASP  18           H        ASP  18  22.870  20.337  20.965
  108    HA   ASP  18           HA       ASP  18  21.745  21.972  22.998
  109    HB2  ASP  18           HB3      ASP  18  20.259  19.570  22.623
  110    HB3  ASP  18           HB2      ASP  18  21.661  18.877  23.411
  Start of MODEL   12
    1    H1   GLU   1           H1       GLU   1  14.759  25.008  19.238
    2    H2   GLU   1           H2       GLU   1  16.315  25.309  19.757
    3    H3   GLU   1           H3       GLU   1  15.793  23.707  19.606
    4    HA   GLU   1           HA       GLU   1  15.853  25.591  17.381
    5    HB2  GLU   1           HB3      GLU   1  18.108  23.697  18.374
    6    HB3  GLU   1           HB2      GLU   1  18.171  24.479  16.788
    7    HG2  GLU   1           HG3      GLU   1  19.572  25.745  18.054
    8    HG3  GLU   1           HG2      GLU   1  18.117  26.752  17.860
    9    H    GLY   2           H        GLY   2  17.154  23.427  15.770
   10    HA2  GLY   2           HA3      GLY   2  14.504  22.112  15.251
   11    HA3  GLY   2           HA2      GLY   2  15.278  22.860  13.954
   12    H    CYS   3           H        CYS   3  17.700  21.264  15.800
   13    HA   CYS   3           HA       CYS   3  16.839  18.672  14.517
   14    HB2  CYS   3           HB3      CYS   3  19.844  19.438  14.784
   15    HB3  CYS   3           HB2      CYS   3  19.255  17.891  14.444
   16    H    CYS   4           H        CYS   4  17.700  20.249  17.359
   17    HA   CYS   4           HA       CYS   4  17.837  17.651  18.702
   18    HB2  CYS   4           HB3      CYS   4  18.348  20.483  19.821
   19    HB3  CYS   4           HB2      CYS   4  17.908  19.208  20.902
   20    H    SER   5           H        SER   5  15.830  17.084  17.913
   21    HA   SER   5           HA       SER   5  13.693  17.662  19.667
   22    HB2  SER   5           HB3      SER   5  12.096  18.668  17.968
   23    HB3  SER   5           HB2      SER   5  13.481  19.730  18.294
   24    HG   SER   5           HG       SER   5  13.028  19.536  16.120
   25    H    ASN   6           H        ASN   6  14.157  16.584  16.325
   26    HA   ASN   6           HA       ASN   6  12.527  14.279  16.978
   27    HB2  ASN   6           HB3      ASN   6  13.544  15.370  14.193
   28    HB3  ASN   6           HB2      ASN   6  12.490  14.038  14.236
   29   HD21  ASN   6          HD21      ASN   6  10.525  14.762  16.190
   30   HD22  ASN   6          HD22      ASN   6   9.744  16.197  15.602
   31    HA   PRO   7           HA       PRO   7  16.600  12.485  16.994
   32    HB2  PRO   7           HB3      PRO   7  16.167   9.781  17.432
   33    HB3  PRO   7           HB2      PRO   7  16.012  11.082  18.669
   34    HG2  PRO   7           HG3      PRO   7  13.755   9.937  16.913
   35    HG3  PRO   7           HG2      PRO   7  13.807  10.031  18.730
   36    HD2  PRO   7           HD3      PRO   7  12.571  11.942  17.378
   37    HD3  PRO   7           HD2      PRO   7  13.752  12.460  18.672
   38    H    ALA   8           H        ALA   8  15.712  13.079  14.512
   39    HA   ALA   8           HA       ALA   8  16.958  10.950  12.905
   40    HB1  ALA   8           HB1      ALA   8  14.695  12.808  11.969
   41    HB2  ALA   8           HB2      ALA   8  14.638  11.063  12.308
   42    HB3  ALA   8           HB3      ALA   8  15.634  11.650  10.948
   43    H    CYS   9           H        CYS   9  16.844  14.517  13.345
   44    HA   CYS   9           HA       CYS   9  19.205  14.660  11.634
   45    HB2  CYS   9           HB3      CYS   9  17.562  16.364  11.211
   46    HB3  CYS   9           HB2      CYS   9  17.581  16.900  12.910
   47    H    ARG  10           H        ARG  10  18.293  14.735  14.964
   48    HA   ARG  10           HA       ARG  10  20.642  15.924  15.911
   49    HB2  ARG  10           HB3      ARG  10  18.323  15.002  17.385
   50    HB3  ARG  10           HB2      ARG  10  19.370  13.641  17.593
   51    HG2  ARG  10           HG3      ARG  10  21.187  15.329  18.407
   52    HG3  ARG  10           HG2      ARG  10  19.835  16.504  18.445
   53    HD2  ARG  10           HD3      ARG  10  18.574  14.927  19.994
   54    HD3  ARG  10           HD2      ARG  10  19.976  13.795  19.948
   55    HE   ARG  10           HE       ARG  10  20.024  16.638  21.039
   56   HH11  ARG  10          HH11      ARG  10  21.472  13.370  21.220
   57   HH12  ARG  10          HH12      ARG  10  21.841  13.578  22.906
   58   HH21  ARG  10          HH21      ARG  10  20.590  16.842  23.186
   59   HH22  ARG  10          HH22      ARG  10  21.437  15.552  23.977
   60    H    THR  11           H        THR  11  19.906  12.537  15.469
   61    HA   THR  11           HA       THR  11  21.870  11.587  17.060
   62    HB   THR  11           HB       THR  11  20.471   9.914  14.984
   63    HG1  THR  11           HG1      THR  11  18.641  10.121  16.061
   64   HG21  THR  11          HG21      THR  11  21.032   9.690  18.032
   65   HG22  THR  11          HG22      THR  11  21.882   8.760  16.734
   66   HG23  THR  11          HG23      THR  11  20.131   8.480  17.045
   67    H    ASN  12           H        ASN  12  22.813  13.073  14.693
   68    HA   ASN  12           HA       ASN  12  25.057  11.255  14.206
   69    HB2  ASN  12           HB3      ASN  12  23.478  12.854  12.059
   70    HB3  ASN  12           HB2      ASN  12  25.199  12.550  11.759
   71   HD21  ASN  12          HD21      ASN  12  25.951  10.188  12.143
   72   HD22  ASN  12          HD22      ASN  12  24.829   8.931  11.707
   73    H    HIS  13           H        HIS  13  24.276  14.285  15.558
   74    HA   HIS  13           HA       HIS  13  26.914  15.128  15.390
   75    HB2  HIS  13           HB3      HIS  13  26.691  16.688  13.407
   76    HB3  HIS  13           HB2      HIS  13  25.436  15.525  12.976
   77    HD1  HIS  13           HD1      HIS  13  26.060  18.843  13.644
   78    HD2  HIS  13           HD2      HIS  13  22.700  16.377  13.961
   79    HE1  HIS  13           HE1      HIS  13  24.091  20.380  14.013
   80    HE2  HIS  13           HE2      HIS  13  22.068  18.967  13.999
   81    HA   PRO  14           HA       PRO  14  23.435  16.553  17.784
   82    HB2  PRO  14           HB3      PRO  14  23.507  15.449  20.332
   83    HB3  PRO  14           HB2      PRO  14  23.041  14.500  18.866
   84    HG2  PRO  14           HG3      PRO  14  25.862  14.711  20.053
   85    HG3  PRO  14           HG2      PRO  14  24.907  13.190  19.768
   86    HD2  PRO  14           HD3      PRO  14  26.621  14.003  17.817
   87    HD3  PRO  14           HD2      PRO  14  24.934  13.502  17.392
   88    H    GLU  15           H        GLU  15  26.699  17.076  18.494
   89    HA   GLU  15           HA       GLU  15  26.484  18.548  20.901
   90    HB2  GLU  15           HB3      GLU  15  28.568  17.495  20.508
   91    HB3  GLU  15           HB2      GLU  15  28.817  18.320  18.960
   92    HG2  GLU  15           HG3      GLU  15  28.847  20.554  20.282
   93    HG3  GLU  15           HG2      GLU  15  28.918  19.537  21.764
   94    H    VAL  16           H        VAL  16  25.895  19.445  17.552
   95    HA   VAL  16           HA       VAL  16  26.319  22.182  17.926
   96    HB   VAL  16           HB       VAL  16  24.546  20.640  16.002
   97   HG11  VAL  16          HG11      VAL  16  25.317  23.630  16.036
   98   HG12  VAL  16          HG12      VAL  16  23.641  22.954  16.167
   99   HG13  VAL  16          HG13      VAL  16  24.567  22.745  14.654
  100   HG21  VAL  16          HG21      VAL  16  26.444  21.226  14.437
  101   HG22  VAL  16          HG22      VAL  16  27.013  20.203  15.802
  102   HG23  VAL  16          HG23      VAL  16  27.336  21.971  15.806
  103    H    CYS  17           H        CYS  17  23.296  20.251  18.249
  104    HA   CYS  17           HA       CYS  17  22.040  22.769  18.797
  105    HB2  CYS  17           HB3      CYS  17  19.832  21.207  18.241
  106    HB3  CYS  17           HB2      CYS  17  21.008  21.046  16.938
  107    H    ASP  18           H        ASP  18  22.972  20.197  20.720
  108    HA   ASP  18           HA       ASP  18  21.695  21.776  22.782
  109    HB2  ASP  18           HB3      ASP  18  22.151  18.643  22.843
  110    HB3  ASP  18           HB2      ASP  18  22.093  19.484  24.333
  Start of MODEL   13
    1    H1   GLU   1           H1       GLU   1  15.253  26.055  17.886
    2    H2   GLU   1           H2       GLU   1  15.038  24.446  18.282
    3    H3   GLU   1           H3       GLU   1  13.952  25.232  17.269
    4    HA   GLU   1           HA       GLU   1  15.643  25.469  15.588
    5    HB2  GLU   1           HB3      GLU   1  17.257  23.825  17.666
    6    HB3  GLU   1           HB2      GLU   1  17.843  24.024  16.010
    7    HG2  GLU   1           HG3      GLU   1  17.910  26.521  16.326
    8    HG3  GLU   1           HG2      GLU   1  17.429  26.304  18.051
    9    H    GLY   2           H        GLY   2  16.346  23.692  14.152
   10    HA2  GLY   2           HA3      GLY   2  14.187  21.614  14.339
   11    HA3  GLY   2           HA2      GLY   2  14.791  22.046  12.845
   12    H    CYS   3           H        CYS   3  17.440  21.649  15.050
   13    HA   CYS   3           HA       CYS   3  17.381  18.707  14.444
   14    HB2  CYS   3           HB3      CYS   3  19.997  20.348  14.252
   15    HB3  CYS   3           HB2      CYS   3  19.899  18.648  14.303
   16    H    CYS   4           H        CYS   4  16.845  20.576  16.742
   17    HA   CYS   4           HA       CYS   4  17.846  18.520  18.577
   18    HB2  CYS   4           HB3      CYS   4  18.746  21.102  18.709
   19    HB3  CYS   4           HB2      CYS   4  17.235  21.377  19.564
   20    H    SER   5           H        SER   5  15.839  17.365  17.937
   21    HA   SER   5           HA       SER   5  13.927  17.600  19.858
   22    HB2  SER   5           HB3      SER   5  11.921  18.490  18.560
   23    HB3  SER   5           HB2      SER   5  13.118  19.746  18.912
   24    HG   SER   5           HG       SER   5  12.538  19.925  16.835
   25    H    ASN   6           H        ASN   6  14.076  17.021  16.411
   26    HA   ASN   6           HA       ASN   6  12.637  14.597  16.566
   27    HB2  ASN   6           HB3      ASN   6  14.509  15.751  14.297
   28    HB3  ASN   6           HB2      ASN   6  13.837  14.207  14.084
   29   HD21  ASN   6          HD21      ASN   6  11.490  13.900  14.208
   30   HD22  ASN   6          HD22      ASN   6  10.547  15.163  13.469
   31    HA   PRO   7           HA       PRO   7  16.234  12.533  18.016
   32    HB2  PRO   7           HB3      PRO   7  14.872  10.096  16.703
   33    HB3  PRO   7           HB2      PRO   7  15.910  10.086  18.185
   34    HG2  PRO   7           HG3      PRO   7  13.183  10.268  18.434
   35    HG3  PRO   7           HG2      PRO   7  14.247  11.382  19.421
   36    HD2  PRO   7           HD3      PRO   7  12.610  11.986  16.978
   37    HD3  PRO   7           HD2      PRO   7  13.057  13.034  18.409
   38    H    ALA   8           H        ALA   8  15.405  12.724  14.866
   39    HA   ALA   8           HA       ALA   8  17.368  10.958  13.700
   40    HB1  ALA   8           HB1      ALA   8  15.130  12.540  12.280
   41    HB2  ALA   8           HB2      ALA   8  15.127  10.842  12.853
   42    HB3  ALA   8           HB3      ALA   8  16.245  11.327  11.561
   43    H    CYS   9           H        CYS   9  16.951  14.555  13.651
   44    HA   CYS   9           HA       CYS   9  19.380  14.650  12.072
   45    HB2  CYS   9           HB3      CYS   9  17.686  16.341  11.620
   46    HB3  CYS   9           HB2      CYS   9  17.858  17.007  13.257
   47    H    ARG  10           H        ARG  10  18.360  14.764  15.297
   48    HA   ARG  10           HA       ARG  10  20.480  15.968  16.575
   49    HB2  ARG  10           HB3      ARG  10  18.143  14.921  17.749
   50    HB3  ARG  10           HB2      ARG  10  19.033  13.412  17.666
   51    HG2  ARG  10           HG3      ARG  10  20.825  14.476  19.134
   52    HG3  ARG  10           HG2      ARG  10  19.800  15.946  19.189
   53    HD2  ARG  10           HD3      ARG  10  17.993  14.753  20.320
   54    HD3  ARG  10           HD2      ARG  10  18.831  13.161  20.126
   55    HE   ARG  10           HE       ARG  10  19.727  15.453  21.889
   56   HH11  ARG  10          HH21      ARG  10  20.540  12.102  20.756
   57   HH12  ARG  10          HH22      ARG  10  21.849  12.053  21.898
   58   HH21  ARG  10          HH11      ARG  10  20.899  14.994  23.561
   59   HH22  ARG  10          HH12      ARG  10  21.823  13.526  23.754
   60    H    THR  11           H        THR  11  20.166  12.473  16.200
   61    HA   THR  11           HA       THR  11  22.564  11.727  17.298
   62    HB   THR  11           HB       THR  11  20.565  10.424  16.827
   63    HG1  THR  11           HG1      THR  11  22.693   9.098  15.586
   64   HG21  THR  11          HG21      THR  11  20.243   9.331  14.639
   65   HG22  THR  11          HG22      THR  11  21.614  10.247  13.916
   66   HG23  THR  11          HG23      THR  11  20.127  11.111  14.466
   67    H    ASN  12           H        ASN  12  22.216  13.422  14.601
   68    HA   ASN  12           HA       ASN  12  24.510  12.198  13.179
   69    HB2  ASN  12           HB3      ASN  12  22.062  12.452  11.912
   70    HB3  ASN  12           HB2      ASN  12  22.598  14.141  11.729
   71   HD21  ASN  12          HD21      ASN  12  23.821  14.487   9.875
   72   HD22  ASN  12          HD22      ASN  12  24.733  13.261   9.060
   73    H    HIS  13           H        HIS  13  23.930  14.662  15.165
   74    HA   HIS  13           HA       HIS  13  26.309  15.922  14.549
   75    HB2  HIS  13           HB3      HIS  13  25.515  18.058  13.405
   76    HB3  HIS  13           HB2      HIS  13  24.446  16.857  12.693
   77    HD1  HIS  13           HD1      HIS  13  24.424  19.967  13.837
   78    HD2  HIS  13           HD2      HIS  13  21.999  16.737  14.975
   79    HE1  HIS  13           HE1      HIS  13  22.778  20.839  15.505
   80    HE2  HIS  13           HE2      HIS  13  21.211  18.894  16.045
   81    HA   PRO  14           HA       PRO  14  23.504  16.362  18.018
   82    HB2  PRO  14           HB3      PRO  14  24.483  14.873  20.186
   83    HB3  PRO  14           HB2      PRO  14  23.604  14.158  18.794
   84    HG2  PRO  14           HG3      PRO  14  26.665  14.438  19.061
   85    HG3  PRO  14           HG2      PRO  14  25.702  12.926  18.740
   86    HD2  PRO  14           HD3      PRO  14  26.719  14.313  16.626
   87    HD3  PRO  14           HD2      PRO  14  24.992  13.723  16.593
   88    H    GLU  15           H        GLU  15  26.869  17.062  18.188
   89    HA   GLU  15           HA       GLU  15  26.927  18.322  20.700
   90    HB2  GLU  15           HB3      GLU  15  28.995  17.542  19.751
   91    HB3  GLU  15           HB2      GLU  15  28.869  18.631  18.352
   92    HG2  GLU  15           HG3      GLU  15  30.472  19.541  19.801
   93    HG3  GLU  15           HG2      GLU  15  29.052  20.615  19.868
   94    H    VAL  16           H        VAL  16  25.615  19.473  17.624
   95    HA   VAL  16           HA       VAL  16  25.800  22.190  18.591
   96    HB   VAL  16           HB       VAL  16  24.347  21.498  16.079
   97   HG11  VAL  16          HG11      VAL  16  25.466  23.611  15.397
   98   HG12  VAL  16          HG12      VAL  16  26.445  23.615  16.907
   99   HG13  VAL  16          HG13      VAL  16  24.671  23.891  16.997
  100   HG21  VAL  16          HG21      VAL  16  26.286  19.999  15.810
  101   HG22  VAL  16          HG22      VAL  16  27.402  21.255  16.495
  102   HG23  VAL  16          HG23      VAL  16  26.603  21.526  14.924
  103    H    CYS  17           H        CYS  17  24.062  19.776  19.459
  104    HA   CYS  17           HA       CYS  17  21.670  21.357  19.955
  105    HB2  CYS  17           HB3      CYS  17  20.753  19.632  18.173
  106    HB3  CYS  17           HB2      CYS  17  21.885  18.509  18.706
  107    H    ASP  18           H        ASP  18  23.249  18.419  21.351
  108    HA   ASP  18           HA       ASP  18  22.030  19.559  23.738
  109    HB2  ASP  18           HB3      ASP  18  22.301  16.510  22.976
  110    HB3  ASP  18           HB2      ASP  18  22.399  16.933  24.633
  Start of MODEL   14
    1    H1   GLU   1           H1       GLU   1  19.402  26.338  16.600
    2    H2   GLU   1           H2       GLU   1  20.447  25.064  16.383
    3    H3   GLU   1           H3       GLU   1  20.440  25.937  17.842
    4    HA   GLU   1           HA       GLU   1  19.295  23.665  17.776
    5    HB2  GLU   1           HB3      GLU   1  17.959  26.268  18.738
    6    HB3  GLU   1           HB2      GLU   1  17.212  24.706  19.106
    7    HG2  GLU   1           HG3      GLU   1  19.300  23.947  20.279
    8    HG3  GLU   1           HG2      GLU   1  20.053  25.552  19.996
    9    H    GLY   2           H        GLY   2  18.783  22.868  15.810
   10    HA2  GLY   2           HA3      GLY   2  15.912  23.416  15.150
   11    HA3  GLY   2           HA2      GLY   2  16.941  23.123  13.840
   12    H    CYS   3           H        CYS   3  18.127  20.974  16.139
   13    HA   CYS   3           HA       CYS   3  16.168  18.996  14.975
   14    HB2  CYS   3           HB3      CYS   3  19.219  18.491  14.861
   15    HB3  CYS   3           HB2      CYS   3  18.024  17.324  14.555
   16    H    CYS   4           H        CYS   4  17.133  20.063  17.797
   17    HA   CYS   4           HA       CYS   4  17.468  17.408  18.925
   18    HB2  CYS   4           HB3      CYS   4  17.642  20.157  20.294
   19    HB3  CYS   4           HB2      CYS   4  17.332  18.758  21.259
   20    H    SER   5           H        SER   5  15.540  16.695  18.023
   21    HA   SER   5           HA       SER   5  13.600  16.424  20.001
   22    HB2  SER   5           HB3      SER   5  11.566  17.340  18.805
   23    HB3  SER   5           HB2      SER   5  12.712  18.625  19.248
   24    HG   SER   5           HG       SER   5  11.870  18.751  17.155
   25    H    ASN   6           H        ASN   6  13.789  16.281  16.469
   26    HA   ASN   6           HA       ASN   6  12.538  13.760  16.502
   27    HB2  ASN   6           HB3      ASN   6  13.991  15.289  14.170
   28    HB3  ASN   6           HB2      ASN   6  13.448  13.718  13.864
   29   HD21  ASN   6          HD21      ASN   6  12.157  16.835  15.149
   30   HD22  ASN   6          HD22      ASN   6  10.511  16.512  14.651
   31    HA   PRO   7           HA       PRO   7  16.301  11.955  17.565
   32    HB2  PRO   7           HB3      PRO   7  15.970   9.173  16.823
   33    HB3  PRO   7           HB2      PRO   7  15.674   9.985  18.406
   34    HG2  PRO   7           HG3      PRO   7  13.719   9.499  16.091
   35    HG3  PRO   7           HG2      PRO   7  13.439   9.284  17.874
   36    HD2  PRO   7           HD3      PRO   7  12.492  11.438  16.698
   37    HD3  PRO   7           HD2      PRO   7  13.448  11.696  18.229
   38    H    ALA   8           H        ALA   8  15.730  12.150  14.278
   39    HA   ALA   8           HA       ALA   8  18.010  10.433  13.589
   40    HB1  ALA   8           HB1      ALA   8  15.650  11.215  11.816
   41    HB2  ALA   8           HB2      ALA   8  15.966   9.655  12.623
   42    HB3  ALA   8           HB3      ALA   8  17.078  10.221  11.341
   43    H    CYS   9           H        CYS   9  16.878  13.757  13.061
   44    HA   CYS   9           HA       CYS   9  19.364  14.381  11.729
   45    HB2  CYS   9           HB3      CYS   9  17.558  15.742  11.029
   46    HB3  CYS   9           HB2      CYS   9  17.145  16.262  12.677
   47    H    ARG  10           H        ARG  10  18.054  14.434  14.929
   48    HA   ARG  10           HA       ARG  10  20.095  15.948  16.098
   49    HB2  ARG  10           HB3      ARG  10  17.734  14.864  17.323
   50    HB3  ARG  10           HB2      ARG  10  18.753  13.485  17.516
   51    HG2  ARG  10           HG3      ARG  10  20.343  14.790  18.919
   52    HG3  ARG  10           HG2      ARG  10  19.354  16.259  18.642
   53    HD2  ARG  10           HD3      ARG  10  17.373  15.082  19.686
   54    HD3  ARG  10           HD2      ARG  10  18.438  13.657  20.044
   55    HE   ARG  10           HE       ARG  10  19.923  15.445  21.281
   56   HH11  ARG  10          HH11      ARG  10  16.348  15.230  21.513
   57   HH12  ARG  10          HH12      ARG  10  16.320  16.183  22.941
   58   HH21  ARG  10          HH21      ARG  10  19.758  16.893  22.964
   59   HH22  ARG  10          HH22      ARG  10  18.266  17.252  23.730
   60    H    THR  11           H        THR  11  19.891  12.424  16.081
   61    HA   THR  11           HA       THR  11  22.220  11.910  17.369
   62    HB   THR  11           HB       THR  11  20.365  10.399  16.714
   63    HG1  THR  11           HG1      THR  11  22.934   9.384  16.114
   64   HG21  THR  11          HG21      THR  11  20.436   9.155  14.621
   65   HG22  THR  11          HG22      THR  11  21.946   9.976  14.084
   66   HG23  THR  11          HG23      THR  11  20.399  10.903  14.225
   67    H    ASN  12           H        ASN  12  22.059  13.396  14.536
   68    HA   ASN  12           HA       ASN  12  24.494  12.153  13.422
   69    HB2  ASN  12           HB3      ASN  12  22.127  12.666  11.906
   70    HB3  ASN  12           HB2      ASN  12  23.142  14.059  11.501
   71   HD21  ASN  12          HD21      ASN  12  25.759  12.863  11.488
   72   HD22  ASN  12          HD22      ASN  12  25.764  11.512  10.384
   73    H    HIS  13           H        HIS  13  23.422  15.056  14.937
   74    HA   HIS  13           HA       HIS  13  26.075  16.068  14.781
   75    HB2  HIS  13           HB3      HIS  13  25.604  17.976  13.173
   76    HB3  HIS  13           HB2      HIS  13  24.524  16.701  12.551
   77    HD1  HIS  13           HD1      HIS  13  24.569  20.033  13.524
   78    HD2  HIS  13           HD2      HIS  13  21.748  16.968  13.443
   79    HE1  HIS  13           HE1      HIS  13  22.454  21.026  14.396
   80    HE2  HIS  13           HE2      HIS  13  20.659  19.330  13.857
   81    HA   PRO  14           HA       PRO  14  22.839  16.737  17.706
   82    HB2  PRO  14           HB3      PRO  14  23.573  15.473  20.112
   83    HB3  PRO  14           HB2      PRO  14  22.826  14.623  18.712
   84    HG2  PRO  14           HG3      PRO  14  25.843  14.910  19.304
   85    HG3  PRO  14           HG2      PRO  14  24.905  13.385  18.967
   86    HD2  PRO  14           HD3      PRO  14  26.223  14.584  16.950
   87    HD3  PRO  14           HD2      PRO  14  24.509  14.033  16.697
   88    H    GLU  15           H        GLU  15  26.159  17.439  18.253
   89    HA   GLU  15           HA       GLU  15  25.797  18.770  20.762
   90    HB2  GLU  15           HB3      GLU  15  27.944  17.569  20.043
   91    HB3  GLU  15           HB2      GLU  15  28.277  18.962  18.992
   92    HG2  GLU  15           HG3      GLU  15  27.985  20.396  21.229
   93    HG3  GLU  15           HG2      GLU  15  28.034  18.813  22.064
   94    H    VAL  16           H        VAL  16  25.184  19.667  17.511
   95    HA   VAL  16           HA       VAL  16  25.723  22.448  17.964
   96    HB   VAL  16           HB       VAL  16  24.248  21.235  15.636
   97   HG11  VAL  16          HG11      VAL  16  26.090  23.702  16.050
   98   HG12  VAL  16          HG12      VAL  16  24.304  23.765  15.802
   99   HG13  VAL  16          HG13      VAL  16  25.379  23.183  14.483
  100   HG21  VAL  16          HG21      VAL  16  26.316  19.896  15.830
  101   HG22  VAL  16          HG22      VAL  16  27.283  21.375  16.227
  102   HG23  VAL  16          HG23      VAL  16  26.586  21.149  14.590
  103    H    CYS  17           H        CYS  17  23.183  20.281  18.664
  104    HA   CYS  17           HA       CYS  17  21.654  22.611  19.378
  105    HB2  CYS  17           HB3      CYS  17  19.432  21.087  18.939
  106    HB3  CYS  17           HB2      CYS  17  20.421  21.011  17.483
  107    H    ASP  18           H        ASP  18  22.231  19.403  20.735
  108    HA   ASP  18           HA       ASP  18  21.040  19.767  22.980
  109    HB2  ASP  18           HB3      ASP  18  24.083  18.960  22.722
  110    HB3  ASP  18           HB2      ASP  18  23.340  18.782  24.240
  Start of MODEL   15
    1    H1   GLU   1           H1       GLU   1  16.595  25.825  15.294
    2    H2   GLU   1           H2       GLU   1  16.797  26.714  16.709
    3    H3   GLU   1           H3       GLU   1  15.390  26.853  15.800
    4    HA   GLU   1           HA       GLU   1  16.258  24.664  17.524
    5    HB2  GLU   1           HB3      GLU   1  13.564  26.171  17.062
    6    HB3  GLU   1           HB2      GLU   1  13.796  25.022  18.379
    7    HG2  GLU   1           HG3      GLU   1  15.453  26.595  19.452
    8    HG3  GLU   1           HG2      GLU   1  15.234  27.757  18.089
    9    H    GLY   2           H        GLY   2  16.672  23.459  15.513
   10    HA2  GLY   2           HA3      GLY   2  14.104  22.304  14.470
   11    HA3  GLY   2           HA2      GLY   2  15.317  22.607  13.345
   12    H    CYS   3           H        CYS   3  17.204  21.480  15.826
   13    HA   CYS   3           HA       CYS   3  16.584  18.689  14.848
   14    HB2  CYS   3           HB3      CYS   3  19.501  19.727  15.054
   15    HB3  CYS   3           HB2      CYS   3  19.037  18.131  14.742
   16    H    CYS   4           H        CYS   4  16.736  20.444  17.631
   17    HA   CYS   4           HA       CYS   4  18.168  18.345  18.954
   18    HB2  CYS   4           HB3      CYS   4  16.668  20.789  20.234
   19    HB3  CYS   4           HB2      CYS   4  17.924  19.937  21.065
   20    H    SER   5           H        SER   5  16.041  17.156  18.061
   21    HA   SER   5           HA       SER   5  14.452  16.416  20.247
   22    HB2  SER   5           HB3      SER   5  12.231  17.484  19.528
   23    HB3  SER   5           HB2      SER   5  13.400  18.647  20.187
   24    HG   SER   5           HG       SER   5  13.201  19.654  18.469
   25    H    ASN   6           H        ASN   6  14.062  17.015  16.772
   26    HA   ASN   6           HA       ASN   6  12.740  14.652  16.352
   27    HB2  ASN   6           HB3      ASN   6  14.567  16.273  14.379
   28    HB3  ASN   6           HB2      ASN   6  13.564  15.018  13.744
   29   HD21  ASN   6          HD21      ASN   6  13.487  17.873  13.274
   30   HD22  ASN   6          HD22      ASN   6  11.883  18.415  13.718
   31    HA   PRO   7           HA       PRO   7  16.190  12.379  17.565
   32    HB2  PRO   7           HB3      PRO   7  15.079  10.095  15.830
   33    HB3  PRO   7           HB2      PRO   7  15.935   9.947  17.426
   34    HG2  PRO   7           HG3      PRO   7  13.203  10.014  17.370
   35    HG3  PRO   7           HG2      PRO   7  14.083  11.057  18.578
   36    HD2  PRO   7           HD3      PRO   7  12.785  11.850  15.957
   37    HD3  PRO   7           HD2      PRO   7  12.920  12.714  17.571
   38    H    ALA   8           H        ALA   8  15.750  12.611  14.246
   39    HA   ALA   8           HA       ALA   8  18.057  10.984  13.496
   40    HB1  ALA   8           HB1      ALA   8  15.783  12.055  11.721
   41    HB2  ALA   8           HB2      ALA   8  15.937  10.408  12.421
   42    HB3  ALA   8           HB3      ALA   8  17.122  10.974  11.205
   43    H    CYS   9           H        CYS   9  17.070  14.390  13.348
   44    HA   CYS   9           HA       CYS   9  19.520  14.978  11.887
   45    HB2  CYS   9           HB3      CYS   9  17.716  16.389  11.279
   46    HB3  CYS   9           HB2      CYS   9  17.432  16.945  12.935
   47    H    ARG  10           H        ARG  10  18.215  15.031  15.110
   48    HA   ARG  10           HA       ARG  10  20.348  16.161  16.421
   49    HB2  ARG  10           HB3      ARG  10  17.872  15.115  17.486
   50    HB3  ARG  10           HB2      ARG  10  18.816  13.673  17.576
   51    HG2  ARG  10           HG3      ARG  10  20.441  14.989  19.124
   52    HG3  ARG  10           HG2      ARG  10  19.290  16.361  18.909
   53    HD2  ARG  10           HD3      ARG  10  17.449  14.602  19.617
   54    HD3  ARG  10           HD2      ARG  10  18.837  13.684  20.326
   55    HE   ARG  10           HE       ARG  10  19.105  16.396  21.249
   56   HH11  ARG  10          HH11      ARG  10  16.660  13.793  21.545
   57   HH12  ARG  10          HH12      ARG  10  16.079  14.429  23.046
   58   HH21  ARG  10          HH21      ARG  10  18.306  17.141  23.141
   59   HH22  ARG  10          HH22      ARG  10  16.983  16.365  23.962
   60    H    THR  11           H        THR  11  19.887  12.655  16.043
   61    HA   THR  11           HA       THR  11  22.258  12.145  17.450
   62    HB   THR  11           HB       THR  11  20.126  10.805  17.152
   63    HG1  THR  11           HG1      THR  11  22.550   9.376  17.019
   64   HG21  THR  11          HG21      THR  11  20.218  10.536  14.643
   65   HG22  THR  11          HG22      THR  11  20.128   8.979  15.537
   66   HG23  THR  11          HG23      THR  11  21.687   9.504  14.823
   67    H    ASN  12           H        ASN  12  22.077  13.420  14.716
   68    HA   ASN  12           HA       ASN  12  24.184  11.859  13.347
   69    HB2  ASN  12           HB3      ASN  12  21.957  12.695  11.972
   70    HB3  ASN  12           HB2      ASN  12  22.822  14.245  11.914
   71   HD21  ASN  12          HD21      ASN  12  22.504  13.645   9.596
   72   HD22  ASN  12          HD22      ASN  12  23.745  12.688   8.837
   73    H    HIS  13           H        HIS  13  23.779  14.642  15.284
   74    HA   HIS  13           HA       HIS  13  26.470  15.403  15.012
   75    HB2  HIS  13           HB3      HIS  13  26.119  17.338  13.410
   76    HB3  HIS  13           HB2      HIS  13  24.795  16.285  12.891
   77    HD1  HIS  13           HD1      HIS  13  25.532  19.482  13.834
   78    HD2  HIS  13           HD2      HIS  13  22.203  17.005  14.445
   79    HE1  HIS  13           HE1      HIS  13  23.751  20.908  14.838
   80    HE2  HIS  13           HE2      HIS  13  21.667  19.583  14.831
   81    HA   PRO  14           HA       PRO  14  23.398  16.487  18.009
   82    HB2  PRO  14           HB3      PRO  14  23.783  14.987  20.340
   83    HB3  PRO  14           HB2      PRO  14  23.001  14.343  18.859
   84    HG2  PRO  14           HG3      PRO  14  25.986  14.131  19.586
   85    HG3  PRO  14           HG2      PRO  14  24.848  12.776  19.158
   86    HD2  PRO  14           HD3      PRO  14  26.413  13.855  17.213
   87    HD3  PRO  14           HD2      PRO  14  24.655  13.529  16.903
   88    H    GLU  15           H        GLU  15  26.796  16.682  18.545
   89    HA   GLU  15           HA       GLU  15  26.671  18.052  21.036
   90    HB2  GLU  15           HB3      GLU  15  28.647  16.755  20.463
   91    HB3  GLU  15           HB2      GLU  15  29.027  17.816  19.104
   92    HG2  GLU  15           HG3      GLU  15  29.294  19.755  20.759
   93    HG3  GLU  15           HG2      GLU  15  28.952  18.587  22.086
   94    H    VAL  16           H        VAL  16  26.140  19.120  17.714
   95    HA   VAL  16           HA       VAL  16  26.530  21.858  18.514
   96    HB   VAL  16           HB       VAL  16  25.259  20.667  16.066
   97   HG11  VAL  16          HG11      VAL  16  24.401  22.983  16.456
   98   HG12  VAL  16          HG12      VAL  16  25.676  23.037  15.190
   99   HG13  VAL  16          HG13      VAL  16  26.065  23.560  16.861
  100   HG21  VAL  16          HG21      VAL  16  27.452  21.441  15.036
  101   HG22  VAL  16          HG22      VAL  16  27.679  20.110  16.219
  102   HG23  VAL  16          HG23      VAL  16  28.066  21.814  16.681
  103    H    CYS  17           H        CYS  17  23.756  19.626  18.180
  104    HA   CYS  17           HA       CYS  17  22.076  21.922  18.674
  105    HB2  CYS  17           HB3      CYS  17  21.331  19.753  17.114
  106    HB3  CYS  17           HB2      CYS  17  20.614  19.263  18.646
  107    H    ASP  18           H        ASP  18  22.882  19.044  20.622
  108    HA   ASP  18           HA       ASP  18  21.279  20.335  22.643
  109    HB2  ASP  18           HB3      ASP  18  22.386  17.365  22.635
  110    HB3  ASP  18           HB2      ASP  18  22.127  18.130  24.136