*HEADER    BAND 3 PROTEIN                          01-NOV-98   1BZK              
*TITLE     STRUCTURAL STUDIES ON THE EFFECTS OF THE DELETION IN THE              
*TITLE    2 RED CELL ANION EXCHANGER (BAND3, AE1) ASSOCIATED WITH SOUTH          
*TITLE    3 EAST ASIAN OVALOCYTOSIS.                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BAND 3 ANION TRANSPORT PROTEIN;                            
*COMPND   3 CHAIN: NULL;                                                         
*COMPND   4 FRAGMENT: C-TERMINAL CYTOPLASM/FIRST MEMBRANE SPAN;                  
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 BIOLOGICAL_UNIT: MONOMER;                                            
*COMPND   7 OTHER_DETAILS: PEPTIDE CORRESPONDS TO THE SECTION R-389 -K-          
*COMPND   8 430 IN HUMAN BAND 3.                                                 
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED                
*SOURCE   4 USING FMOC PEPTIDE STRATEGY. THE SEQUENCE OF THE PEPTIDE             
*SOURCE   5 IS NATURALLY FOUND IN THE CYTOPLASM/MEMBRANE RED CELL OF             
*SOURCE   6 HOMO SAPIENS.                                                        
*KEYWDS    HUMAN ERYTHROCYTE ANION TRANSPORTER, TRANSMEMBRANE,                   
*KEYWDS   2 SYNTHETIC PEPTIDE, NMR                                               
*EXPDTA    NMR, 21 STRUCTURES                                                    
*AUTHOR    E.J.CHAMBERS, G.B.BLOOMBERG, S.M.RING, M.J.A.TANNER                   
*REVDAT   1   01-JUN-99 1BZK    0                                                
set message=off echo=off end
restraints dihedral reset
! ovn1r/refineshx3/ovn1r_dih_sx.tbl
! phi restraints
!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 35.0 2
!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 30.0 2
assign (resid   4 and name c )   (resid   5 and name n )
       (resid   5 and name ca)   (resid   5 and name c )  1.0  -60.0 30.0 2
assign (resid   5 and name c )   (resid   6 and name n )
       (resid   6 and name ca)   (resid   6 and name c )  1.0  -60.0 30.0 2
assign (resid   6 and name c )   (resid   7 and name n )
       (resid   7 and name ca)   (resid   7 and name c )  1.0  -60.0 30.0 2
assign (resid   7 and name c )   (resid   8 and name n )
       (resid   8 and name ca)   (resid   8 and name c )  1.0  -60.0 30.0 2
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 30.0 2
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 30.0 2
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 30.0 2
assign (resid  11 and name c )   (resid  12 and name n )
       (resid  12 and name ca)   (resid  12 and name c )  1.0  -60.0 30.0 2
assign (resid  12 and name c )   (resid  13 and name n )
       (resid  13 and name ca)   (resid  13 and name c )  1.0  -70.0 35.0 2
assign (resid  13 and name c )   (resid  14 and name n )
       (resid  14 and name ca)   (resid  14 and name c )  1.0  -60.0 30.0 2
!assign (resid  14 and name c )   (resid  15 and name n )
!       (resid  15 and name ca)   (resid  15 and name c )  1.0  -70.0 35.0 2
assign (resid  16 and name c )   (resid  17 and name n )
       (resid  17 and name ca)   (resid  17 and name c )  1.0  -60.0 30.0 2
assign (resid  17 and name c )   (resid  18 and name n )
       (resid  18 and name ca)   (resid  18 and name c )  1.0  -60.0 30.0 2
assign (resid  18 and name c )   (resid  19 and name n )
       (resid  19 and name ca)   (resid  19 and name c )  1.0  -60.0 30.0 2
assign (resid  19 and name c )   (resid  20 and name n )
       (resid  20 and name ca)   (resid  20 and name c )  1.0  -60.0 30.0 2
assign (resid  20 and name c )   (resid  21 and name n )
       (resid  21 and name ca)   (resid  21 and name c )  1.0  -60.0 30.0 2
assign (resid  21 and name c )   (resid  22 and name n )
       (resid  22 and name ca)   (resid  22 and name c )  1.0  -60.0 30.0 2
assign (resid  22 and name c )   (resid  23 and name n )
       (resid  23 and name ca)   (resid  23 and name c )  1.0  -60.0 35.0 2
assign (resid  23 and name c )   (resid  24 and name n )
       (resid  24 and name ca)   (resid  24 and name c )  1.0  -60.0 30.0 2
assign (resid  24 and name c )   (resid  25 and name n )
       (resid  25 and name ca)   (resid  25 and name c )  1.0  -60.0 35.0 2
assign (resid  25 and name c )   (resid  26 and name n )
       (resid  26 and name ca)   (resid  26 and name c )  1.0  -60.0 30.0 2
assign (resid  26 and name c )   (resid  27 and name n )
       (resid  27 and name ca)   (resid  27 and name c )  1.0  -60.0 30.0 2
assign (resid  27 and name c )   (resid  28 and name n )
       (resid  28 and name ca)   (resid  28 and name c )  1.0  -60.0 30.0 2
assign (resid  28 and name c )   (resid  29 and name n )
       (resid  29 and name ca)   (resid  29 and name c )  1.0  -60.0 30.0 2
assign (resid  29 and name c )   (resid  30 and name n )
       (resid  30 and name ca)   (resid  30 and name c )  1.0  -70.0 35.0 2
assign (resid  30 and name c )   (resid  31 and name n )
       (resid  31 and name ca)   (resid  31 and name c )  1.0  -60.0 30.0 2
assign (resid  32 and name c )   (resid  33 and name n )
       (resid  33 and name ca)   (resid  33 and name c )  1.0  -60.0 30.0 2
assign (resid  33 and name c )   (resid  34 and name n )
       (resid  34 and name ca)   (resid  34 and name c )  1.0  -60.0 30.0 2
assign (resid  34 and name c )   (resid  35 and name n )
       (resid  35 and name ca)   (resid  35 and name c )  1.0  -60.0 30.0 2
assign (resid  35 and name c )   (resid  36 and name n )
       (resid  36 and name ca)   (resid  36 and name c )  1.0  -60.0 30.0 2
assign (resid  38 and name c )   (resid  39 and name n )
       (resid  39 and name ca)   (resid  39 and name c )  1.0  -60.0 30.0 2
assign (resid  39 and name c )   (resid  40 and name n )
       (resid  40 and name ca)   (resid  40 and name c )  1.0  -70.0 35.0 2
assign (resid  41 and name c )   (resid  42 and name n )
       (resid  42 and name ca)   (resid  42 and name c )  1.0  -60.0 30.0 2
end
set message=on echo=on end
 
set message=off echo=off end
!/refine5/ovn1r_noe_ref5.tbl additional intraresidue noes from 4.
clas seq
!HN(i)-HN(i+1)
assign (resid    5 and name HN   )(resid    6 and name HN   ) 2.5 2.5 0.4
assign (resid    6 and name HN   )(resid    7 and name HN   ) 2.5 2.5 0.4
assign (resid    7 and name HN   )(resid    8 and name HN   ) 2.5 2.5 0.4
assign (resid    8 and name HN   )(resid    9 and name HN   ) 2.5 2.5 0.4
assign (resid    9 and name HN   )(resid   10 and name HN   ) 3.0 3.0 0.5
assign (resid   10 and name HN   )(resid   11 and name HN   ) 2.5 2.5 0.4
assign (resid   11 and name HN   )(resid   12 and name HN   ) 2.5 2.5 0.4
assign (resid   12 and name HN   )(resid   13 and name HN   ) 2.5 2.5 0.4
assign (resid   13 and name HN   )(resid   14 and name HN   ) 2.5 2.5 0.4
assign (resid   14 and name HN   )(resid   15 and name HN   ) 2.5 2.5 0.4
assign (resid   17 and name HN   )(resid   18 and name HN   ) 2.5 2.5 0.4
assign (resid   18 and name HN   )(resid   19 and name HN   ) 2.5 2.5 0.4
assign (resid   19 and name HN   )(resid   20 and name HN   ) 2.5 2.5 0.4
assign (resid   20 and name HN   )(resid   21 and name HN   ) 2.5 2.5 0.4
assign (resid   21 and name HN   )(resid   22 and name HN   ) 2.5 2.5 0.4
assign (resid   24 and name HN   )(resid   25 and name HN   ) 2.5 2.5 0.4
assign (resid   25 and name HN   )(resid   26 and name HN   ) 2.5 2.5 0.4
assign (resid   26 and name HN   )(resid   27 and name HN   ) 2.5 2.5 0.4
assign (resid   27 and name HN   )(resid   28 and name HN   ) 2.5 2.5 0.4
assign (resid   28 and name HN   )(resid   29 and name HN   ) 2.5 2.5 0.4
assign (resid   29 and name HN   )(resid   30 and name HN   ) 2.5 2.5 0.4
assign (resid   30 and name HN   )(resid   31 and name HN   ) 2.5 2.5 0.4
assign (resid   33 and name HN   )(resid   34 and name HN   ) 2.5 2.5 0.4
assign (resid   34 and name HN   )(resid   35 and name HN   ) 3.0 3.0 0.5
assign (resid   35 and name HN   )(resid   36 and name HN   ) 2.5 2.5 0.4
assign (resid   38 and name HN   )(resid   39 and name HN   ) 2.5 2.5 0.4
assign (resid   40 and name HN   )(resid   41 and name HN   ) 2.5 2.5 0.4
assign (resid   42 and name HN   )(resid   43 and name HN   ) 2.5 2.5 0.4
!HA(i)-HN(i+1)
assign (resid    5 and name HA   )(resid    6 and name HN   ) 4.0 4.0 1.0
assign (resid    6 and name HA   )(resid    7 and name HN   ) 4.0 4.0 1.0
assign (resid    8 and name HA   )(resid    9 and name HN   ) 4.0 4.0 1.0
assign (resid   10 and name HA   )(resid   11 and name HN   ) 4.0 4.0 1.0
assign (resid   11 and name HA   )(resid   12 and name HN   ) 4.0 4.0 1.0
assign (resid   14 and name HA   )(resid   15 and name HN   ) 3.0 3.0 0.5
assign (resid   17 and name HA   )(resid   18 and name HN   ) 3.0 3.0 0.5
assign (resid   21 and name HA   )(resid   22 and name HN   ) 3.0 3.0 0.5
assign (resid   24 and name HA   )(resid   25 and name HN   ) 4.0 4.0 1.0
assign (resid   25 and name HA   )(resid   26 and name HN   ) 4.0 4.0 1.0
assign (resid   26 and name HA   )(resid   27 and name HN   ) 4.0 4.0 1.0
assign (resid   27 and name HA   )(resid   28 and name HN   ) 4.0 4.0 1.0
assign (resid   29 and name HA   )(resid   30 and name HN   ) 4.0 4.0 1.0
assign (resid   30 and name HA   )(resid   31 and name HN   ) 3.0 3.0 0.5
assign (resid   33 and name HA   )(resid   34 and name HN   ) 4.0 4.0 1.0
assign (resid   35 and name HA   )(resid   36 and name HN   ) 3.0 3.0 0.5
assign (resid   41 and name HA1  )(resid   42 and name HN   ) 3.0 3.0 0.5
assign (resid   41 and name HA2  )(resid   42 and name HN   ) 3.0 3.0 0.5
assign (resid   42 and name HA   )(resid   43 and name HN   ) 4.0 4.0 1.0
!HB(i)-HN(i+1)
assign (resid    4 and name HB1  )(resid    5 and name HN   ) 4.0 4.0 1.0
assign (resid    4 and name HB2  )(resid    5 and name HN   ) 4.0 4.0 1.0
assign (resid    5 and name HB*  )(resid    6 and name HN   ) 3.0 3.0 0.5
assign (resid    6 and name HB*  )(resid    7 and name HN   ) 2.5 2.5 0.4
assign (resid    7 and name HB*  )(resid    8 and name HN   ) 2.5 2.5 0.4
assign (resid    9 and name HB1  )(resid   10 and name HN   ) 3.0 3.0 0.5
assign (resid    9 and name HB2  )(resid   10 and name HN   ) 2.5 2.5 0.4
assign (resid   10 and name HB   )(resid   11 and name HN   ) 3.0 3.0 0.5
assign (resid   11 and name HB*  )(resid   12 and name HN   ) 4.0 4.0 1.0
assign (resid   14 and name HB*  )(resid   15 and name HN   ) 4.0 4.0 1.0
assign (resid   18 and name HB   )(resid   19 and name HN   ) 2.5 2.5 0.4
assign (resid   19 and name HB*  )(resid   20 and name HN   ) 2.5 2.5 0.4
assign (resid   20 and name HB*  )(resid   21 and name HN   ) 2.5 2.5 0.4
assign (resid   21 and name HB*  )(resid   22 and name HN   ) 2.5 2.5 0.4
assign (resid   23 and name HB   )(resid   24 and name HN   ) 2.5 2.5 0.4
assign (resid   24 and name HB1  )(resid   25 and name HN   ) 2.5 2.5 0.4
assign (resid   24 and name HB2  )(resid   25 and name HN   ) 3.0 3.0 0.5
assign (resid   25 and name HB   )(resid   26 and name HN   ) 2.5 2.5 0.4
assign (resid   27 and name HB*  )(resid   28 and name HN   ) 2.5 2.5 0.4
assign (resid   28 and name HB*  )(resid   29 and name HN   ) 2.5 2.5 0.4
assign (resid   29 and name HB*  )(resid   30 and name HN   ) 2.5 2.5 0.4
assign (resid   30 and name HB*  )(resid   31 and name HN   ) 4.0 4.0 1.0
assign (resid   32 and name HB1  )(resid   33 and name HN   ) 4.0 4.0 1.0
assign (resid   32 and name HB2  )(resid   33 and name HN   ) 4.0 4.0 1.0
assign (resid   33 and name HB*  )(resid   34 and name HN   ) 3.0 3.0 0.5
assign (resid   34 and name HB   )(resid   35 and name HN   ) 4.0 4.0 1.0
assign (resid   36 and name HB   )(resid   37 and name HN   ) 4.0 4.0 1.0
!misc pro
assign (resid    3 and name HA   )(resid    4 and name HD1  ) 4.0 4.0 1.0
assign (resid    3 and name HA   )(resid    4 and name HD2  ) 4.0 4.0 1.0
assign (resid   15 and name HN   )(resid   16 and name HD1  ) 3.0 3.0 0.5 
assign (resid   16 and name HD1  )(resid   17 and name HN   ) 3.0 3.0 0.5
assign (resid   31 and name HA   )(resid   32 and name HD1  ) 3.0 3.0 0.5
!assign (resid   31 and name HA   )(resid   32 and name HD2  ) 3.0 3.0 0.5
assign (resid   31 and name HN   )(resid   32 and name HD*  ) 3.0 3.0 0.5
assign (resid   32 and name HD*  )(resid   33 and name HN   ) 3.0 3.0 0.5
clas short
!HA(i)-HN(i+3)
assign (resid    4 and name HA   )(resid    7 and name HN   ) 4.0 4.0 1.0
assign (resid    6 and name HA   )(resid    9 and name HN   ) 4.0 4.0 1.0
assign (resid   15 and name HA   )(resid   18 and name HN   ) 4.0 4.0 1.0
assign (resid   16 and name HA   )(resid   19 and name HN   ) 3.0 3.0 0.5
assign (resid   18 and name HA   )(resid   21 and name HN   ) 3.0 3.0 0.5
assign (resid   20 and name HA   )(resid   23 and name HN   ) 3.0 3.0 0.5
assign (resid   21 and name HA   )(resid   24 and name HN   ) 4.0 4.0 1.0
assign (resid   23 and name HA   )(resid   26 and name HN   ) 2.5 2.5 0.4
assign (resid   24 and name HA   )(resid   27 and name HN   ) 4.0 4.0 1.0
assign (resid   25 and name HA   )(resid   28 and name HN   ) 3.0 3.0 0.5
!HA(i)-HN(i+4)
assign (resid    7 and name HA   )(resid   11 and name HN   ) 4.0 4.0 1.0
assign (resid    8 and name HA   )(resid   12 and name HN   ) 4.0 4.0 1.0
assign (resid   16 and name HA   )(resid   20 and name HN   ) 4.0 4.0 1.0
assign (resid   17 and name HA   )(resid   21 and name HN   ) 4.0 4.0 1.0
assign (resid   23 and name HA   )(resid   27 and name HN   ) 4.0 4.0 1.0
assign (resid   25 and name HA   )(resid   29 and name HN   ) 4.0 4.0 1.0
assign (resid   26 and name HA   )(resid   30 and name HN   ) 4.0 4.0 1.0
assign (resid   27 and name HA   )(resid   31 and name HN   ) 4.0 4.0 1.0
assign (resid   30 and name HA   )(resid   34 and name HN   ) 4.0 4.0 1.0
!HA(i)-HB(i+3)
assign (resid    3 and name HA   )(resid    6 and name HB*  ) 4.0 4.0 1.0
assign (resid    4 and name HA   )(resid    7 and name HB*  ) 4.0 4.0 1.0
assign (resid    6 and name HA   )(resid    9 and name HB*  ) 4.0 4.0 1.0
assign (resid   10 and name HA   )(resid   13 and name HB   ) 4.0 4.0 1.0
assign (resid   11 and name HA   )(resid   14 and name HB*  ) 4.0 4.0 1.0
assign (resid   15 and name HA   )(resid   18 and name HB   ) 3.0 3.0 0.5
assign (resid   17 and name HA   )(resid   20 and name HB*  ) 4.0 4.0 1.0
assign (resid   18 and name HA   )(resid   21 and name HB*  ) 2.5 2.5 0.4
assign (resid   19 and name HA   )(resid   22 and name HB   ) 2.5 2.5 0.4
assign (resid   20 and name HA   )(resid   23 and name HB   ) 4.0 4.0 1.0
assign (resid   21 and name HA   )(resid   24 and name HB*  ) 2.5 2.5 0.4
assign (resid   22 and name HA   )(resid   25 and name HB*  ) 4.0 4.0 1.0
assign (resid   23 and name HA   )(resid   26 and name HB*  ) 2.5 2.5 0.4
assign (resid   24 and name HA   )(resid   27 and name HB*  ) 2.5 2.5 0.4
assign (resid   25 and name HA   )(resid   28 and name HB*  ) 2.5 2.5 0.4
assign (resid   30 and name HA   )(resid   33 and name HB*  ) 3.0 3.0 0.5
assign (resid   33 and name HA   )(resid   36 and name HB*  ) 3.0 3.0 0.5
clas intra
!HN(i)-HA(i)
assign (resid    3 and name HN   )(resid    3 and name HA   ) 2.5 2.5 0.4
assign (resid    5 and name HN   )(resid    5 and name HA   ) 2.5 2.5 0.4
assign (resid    7 and name HN   )(resid    7 and name HA   ) 2.5 2.5 0.4
assign (resid    8 and name HN   )(resid    8 and name HA   ) 2.5 2.5 0.4
assign (resid    9 and name HN   )(resid    9 and name HA   ) 2.5 2.5 0.4
assign (resid   10 and name HN   )(resid   10 and name HA   ) 2.5 2.5 0.4
assign (resid   11 and name HN   )(resid   11 and name HA   ) 2.5 2.5 0.4
assign (resid   12 and name HN   )(resid   12 and name HA   ) 2.5 2.5 0.4
assign (resid   13 and name HN   )(resid   13 and name HA   ) 2.5 2.5 0.4
assign (resid   14 and name HN   )(resid   14 and name HA   ) 2.5 2.5 0.4
assign (resid   15 and name HN   )(resid   15 and name HA   ) 2.5 2.5 0.4
assign (resid   17 and name HN   )(resid   17 and name HA   ) 2.5 2.5 0.4
assign (resid   19 and name HN   )(resid   19 and name HA   ) 2.5 2.5 0.4
assign (resid   22 and name HN   )(resid   22 and name HA   ) 2.5 2.5 0.4
assign (resid   24 and name HN   )(resid   24 and name HA   ) 2.5 2.5 0.4
assign (resid   25 and name HN   )(resid   25 and name HA   ) 2.5 2.5 0.4
assign (resid   26 and name HN   )(resid   26 and name HA   ) 2.5 2.5 0.4
assign (resid   27 and name HN   )(resid   27 and name HA   ) 2.5 2.5 0.4
assign (resid   28 and name HN   )(resid   28 and name HA   ) 2.5 2.5 0.4
assign (resid   29 and name HN   )(resid   29 and name HA   ) 2.5 2.5 0.4
assign (resid   30 and name HN   )(resid   30 and name HA   ) 2.5 2.5 0.4
assign (resid   31 and name HN   )(resid   31 and name HA   ) 2.5 2.5 0.4
assign (resid   33 and name HN   )(resid   33 and name HA   ) 2.5 2.5 0.4
assign (resid   34 and name HN   )(resid   34 and name HA   ) 2.5 2.5 0.4
assign (resid   35 and name HN   )(resid   35 and name HA   ) 2.5 2.5 0.4
assign (resid   36 and name HN   )(resid   36 and name HA   ) 2.5 2.5 0.4
assign (resid   42 and name HN   )(resid   42 and name HA   ) 2.5 2.5 0.4
!HN(i)-HB(i)
assign (resid    3 and name HN   )(resid    3 and name HB1  ) 4.0 4.0 1.0
assign (resid    3 and name HN   )(resid    3 and name HB2  ) 4.0 4.0 1.0
assign (resid    5 and name HN   )(resid    5 and name HB1  ) 4.0 4.0 1.0
assign (resid    5 and name HN   )(resid    5 and name HB2  ) 4.0 4.0 1.0
assign (resid    6 and name HN   )(resid    6 and name HB*  ) 2.5 2.5 0.4
assign (resid   10 and name HN   )(resid   10 and name HB   ) 2.5 2.5 0.4
assign (resid   13 and name HN   )(resid   13 and name HB   ) 2.5 2.5 0.4
assign (resid   15 and name HN   )(resid   15 and name HB*  ) 2.5 2.5 0.4
assign (resid   17 and name HN   )(resid   17 and name HB*  ) 2.5 2.5 0.4
assign (resid   19 and name HN   )(resid   19 and name HB*  ) 2.5 2.5 1.0
assign (resid   20 and name HN   )(resid   20 and name HB*  ) 2.5 2.5 1.0
assign (resid   22 and name HN   )(resid   22 and name HB*  ) 2.5 2.5 0.4
assign (resid   24 and name HN   )(resid   24 and name HB*  ) 2.5 2.5 1.0
assign (resid   25 and name HN   )(resid   25 and name HB   ) 3.0 3.0 0.5
assign (resid   42 and name HN   )(resid   42 and name HB*  ) 3.0 3.0 0.5
!HA(i)-HB(i)
assign (resid   13 and name HA   )(resid   13 and name HB   ) 2.5 2.5 0.4
assign (resid   18 and name HA   )(resid   18 and name HB*  ) 2.5 2.5 0.4
! Leu
assign (resid   39 and name HG   )(resid   39 and name HD2* ) 2.5 2.5 1.5
assign (resid   39 and name HG   )(resid   39 and name HD1* ) 2.5 2.5 1.5
assign (resid   40 and name HG   )(resid   40 and name HD1* ) 2.5 2.5 0.5
assign (resid   40 and name HG   )(resid   40 and name HD2* ) 2.5 2.5 0.5
! Thr
assign (resid   11 and name HN   )(resid   11 and name HG2* ) 3.0 3.0 0.5
assign (resid   11 and name HA   )(resid   11 and name HG2* ) 4.0 4.0 1.0
assign (resid   11 and name HB   )(resid   11 and name HG2* ) 2.5 2.5 0.4
!Val
assign (resid   13 and name HB   )(resid   13 and name HG1* ) 2.5 2.5 1.0
assign (resid   13 and name HB   )(resid   13 and name HG2* ) 2.5 2.5 1.0
assign (resid   13 and name HG1* )(resid   13 and name HG2* ) 2.5 2.5 1.0
!Pro
assign (resid    4 and name HB1  )(resid    4 and name HB2  ) 2.5 2.5 0.4
assign (resid    4 and name HD1  )(resid    4 and name HD2  ) 2.5 2.5 0.4
assign (resid   16 and name HB1  )(resid   16 and name HB2  ) 2.5 2.5 0.4
assign (resid   16 and name HD1  )(resid   16 and name HD2  ) 2.5 2.5 0.4
assign (resid   32 and name HB1  )(resid   32 and name HB2  ) 2.5 2.5 0.4
assign (resid   32 and name HD1  )(resid   32 and name HD2  ) 2.5 2.5 0.4
!gly
assign (resid   37 and name HA1  )(resid   37 and name HA2  ) 1.8 1.8 0.2
assign (resid   38 and name HA1  )(resid   38 and name HA2  ) 1.8 1.8 0.2
assign (resid   41 and name HA1  )(resid   41 and name HA2  ) 1.8 1.8 0.2
!hbonds
clas hbon
assign (resid   16 and  name O    )(resid   20 and  name N    ) 3.3 3.3 0.2
assign (resid   17 and  name O    )(resid   21 and  name N    ) 3.3 3.3 0.2
assign (resid   18 and  name O    )(resid   22 and  name N    ) 3.3 3.3 0.2
assign (resid   19 and  name O    )(resid   23 and  name N    ) 3.3 3.3 0.2
assign (resid   20 and  name O    )(resid   24 and  name N    ) 3.3 3.3 0.2
assign (resid   21 and  name O    )(resid   25 and  name N    ) 3.3 3.3 0.2
assign (resid   22 and  name O    )(resid   26 and  name N    ) 3.3 3.3 0.2
assign (resid   23 and  name O    )(resid   27 and  name N    ) 3.3 3.3 0.2
assign (resid   24 and  name O    )(resid   28 and  name N    ) 3.3 3.3 0.2
assign (resid   25 and  name O    )(resid   29 and  name N    ) 3.3 3.3 0.2
assign (resid   16 and  name O    )(resid   20 and  name HN   ) 2.3 2.3 0.2
assign (resid   17 and  name O    )(resid   21 and  name HN   ) 2.3 2.3 0.2
assign (resid   18 and  name O    )(resid   22 and  name HN   ) 2.3 2.3 0.2
assign (resid   19 and  name O    )(resid   23 and  name HN   ) 2.3 2.3 0.2
assign (resid   20 and  name O    )(resid   24 and  name HN   ) 2.3 2.3 0.2
assign (resid   21 and  name O    )(resid   25 and  name HN   ) 2.3 2.3 0.2
assign (resid   22 and  name O    )(resid   26 and  name HN   ) 2.3 2.3 0.2
assign (resid   23 and  name O    )(resid   27 and  name HN   ) 2.3 2.3 0.2
assign (resid   24 and  name O    )(resid   28 and  name HN   ) 2.3 2.3 0.2
assign (resid   25 and  name O    )(resid   29 and  name HN   ) 2.3 2.3 0.2
set message=on echo=on end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ACE   1           HA1      ACE   1  27.251  10.654   8.768
    2   2H    ACE   1           HA2      ACE   1  27.724  12.332   9.030
    3   3H    ACE   1           HA3      ACE   1  28.653  11.317   7.928
    4    H    ARG   2           H        ARG   2  28.268  11.902   5.848
    5    HA   ARG   2           HA       ARG   2  25.679  13.142   5.145
    6   1HB   ARG   2          1HB       ARG   2  28.220  12.706   3.549
    7   2HB   ARG   2          2HB       ARG   2  26.784  13.521   2.929
    8   1HG   ARG   2          1HG       ARG   2  27.350  15.439   3.963
    9   2HG   ARG   2          2HG       ARG   2  27.522  14.607   5.509
   10   1HD   ARG   2          1HD       ARG   2  29.648  15.676   4.767
   11   2HD   ARG   2          2HD       ARG   2  29.796  13.926   4.931
   12    HE   ARG   2           HE       ARG   2  29.218  15.074   2.245
   13   1HH1  ARG   2          1HH1      ARG   2  31.806  14.404   4.284
   14   2HH1  ARG   2          2HH1      ARG   2  32.649  13.387   3.164
   15   1HH2  ARG   2          1HH2      ARG   2  30.061  13.319   0.863
   16   2HH2  ARG   2          2HH2      ARG   2  31.664  12.775   1.229
   17    H    TYR   3           H        TYR   3  27.240  11.330   2.639
   18    HA   TYR   3           HA       TYR   3  25.682   8.896   3.031
   19   1HB   TYR   3          1HB       TYR   3  24.880  10.925   0.931
   20   2HB   TYR   3          2HB       TYR   3  24.406   9.228   0.856
   21    HD1  TYR   3           HD1      TYR   3  23.417   8.276   3.159
   22    HD2  TYR   3           HD2      TYR   3  23.428  12.410   1.988
   23    HE1  TYR   3           HE1      TYR   3  21.553   8.727   4.731
   24    HE2  TYR   3           HE2      TYR   3  21.565  12.860   3.562
   25    HH   TYR   3           HH       TYR   3  20.765  11.098   6.012
   26    HA   PRO   4           HA       PRO   4  29.396   8.264   0.408
   27   1HB   PRO   4          1HB       PRO   4  30.516   6.388   2.039
   28   2HB   PRO   4          2HB       PRO   4  30.751   8.129   2.264
   29   1HG   PRO   4          1HG       PRO   4  29.218   6.245   3.894
   30   2HG   PRO   4          2HG       PRO   4  29.782   7.876   4.292
   31   1HD   PRO   4          1HD       PRO   4  27.137   7.052   3.464
   32   2HD   PRO   4          2HD       PRO   4  27.684   8.663   3.959
   33    H    TYR   5           H        TYR   5  28.588   5.343   2.267
   34    HA   TYR   5           HA       TYR   5  28.510   3.713  -0.116
   35   1HB   TYR   5          1HB       TYR   5  27.248   2.889   2.490
   36   2HB   TYR   5          2HB       TYR   5  28.136   1.903   1.328
   37    HD1  TYR   5           HD1      TYR   5  30.621   3.048   0.834
   38    HD2  TYR   5           HD2      TYR   5  28.381   3.209   4.495
   39    HE1  TYR   5           HE1      TYR   5  32.718   3.440   2.099
   40    HE2  TYR   5           HE2      TYR   5  30.478   3.600   5.761
   41    HH   TYR   5           HH       TYR   5  32.664   4.099   5.584
   42    H    TYR   6           H        TYR   6  26.101   5.438   1.753
   43    HA   TYR   6           HA       TYR   6  23.720   4.187   1.025
   44   1HB   TYR   6          1HB       TYR   6  24.430   6.640   2.146
   45   2HB   TYR   6          2HB       TYR   6  23.529   7.081   0.695
   46    HD1  TYR   6           HD1      TYR   6  21.202   6.317   0.373
   47    HD2  TYR   6           HD2      TYR   6  23.360   5.494   3.996
   48    HE1  TYR   6           HE1      TYR   6  19.075   5.735   1.509
   49    HE2  TYR   6           HE2      TYR   6  21.232   4.912   5.130
   50    HH   TYR   6           HH       TYR   6  19.022   4.814   4.953
   51    H    LEU   7           H        LEU   7  25.668   6.434  -0.923
   52    HA   LEU   7           HA       LEU   7  23.840   6.537  -3.143
   53   1HB   LEU   7          1HB       LEU   7  26.659   7.309  -2.622
   54   2HB   LEU   7          2HB       LEU   7  26.224   7.040  -4.311
   55    HG   LEU   7           HG       LEU   7  25.847   9.391  -3.702
   56   1HD1  LEU   7          1HD1      LEU   7  24.238   7.985  -5.201
   57   2HD1  LEU   7          2HD1      LEU   7  23.118   8.126  -3.846
   58   3HD1  LEU   7          3HD1      LEU   7  23.708   9.577  -4.657
   59   1HD2  LEU   7          1HD2      LEU   7  25.395   8.747  -1.241
   60   2HD2  LEU   7          2HD2      LEU   7  24.417  10.046  -1.925
   61   3HD2  LEU   7          3HD2      LEU   7  23.741   8.425  -1.762
   62    H    SER   8           H        SER   8  26.599   4.442  -2.376
   63    HA   SER   8           HA       SER   8  26.344   2.997  -4.915
   64   1HB   SER   8          1HB       SER   8  28.206   1.669  -4.125
   65   2HB   SER   8          2HB       SER   8  28.544   3.356  -3.751
   66    HG   SER   8           HG       SER   8  28.034   1.215  -2.084
   67    H    ASP   9           H        ASP   9  24.190   3.039  -2.658
   68    HA   ASP   9           HA       ASP   9  24.046   0.193  -1.949
   69   1HB   ASP   9          1HB       ASP   9  22.829   2.662  -1.034
   70   2HB   ASP   9          2HB       ASP   9  21.604   1.425  -1.314
   71    H    ILE  10           H        ILE  10  21.850   2.463  -3.650
   72    HA   ILE  10           HA       ILE  10  20.387   0.236  -4.838
   73    HB   ILE  10           HB       ILE  10  19.830   2.908  -4.289
   74   1HG1  ILE  10          1HG1      ILE  10  18.015   1.597  -6.204
   75   2HG1  ILE  10          2HG1      ILE  10  18.469   0.595  -4.825
   76   1HG2  ILE  10          1HG2      ILE  10  20.969   3.432  -6.515
   77   2HG2  ILE  10          2HG2      ILE  10  19.638   2.570  -7.287
   78   3HG2  ILE  10          3HG2      ILE  10  19.315   4.019  -6.336
   79   1HD1  ILE  10          1HD1      ILE  10  17.350   3.409  -4.655
   80   2HD1  ILE  10          2HD1      ILE  10  16.447   1.929  -4.330
   81   3HD1  ILE  10          3HD1      ILE  10  17.789   2.391  -3.284
   82    H    THR  11           H        THR  11  22.999   2.353  -5.777
   83    HA   THR  11           HA       THR  11  22.850   1.572  -8.603
   84    HB   THR  11           HB       THR  11  24.911   2.938  -8.819
   85    HG1  THR  11           HG1      THR  11  25.216   2.355  -6.328
   86   1HG2  THR  11          1HG2      THR  11  22.650   3.992  -8.865
   87   2HG2  THR  11          2HG2      THR  11  22.787   4.289  -7.132
   88   3HG2  THR  11          3HG2      THR  11  23.896   5.079  -8.253
   89    H    ASP  12           H        ASP  12  23.372  -0.462  -6.377
   90    HA   ASP  12           HA       ASP  12  26.121  -1.328  -6.989
   91   1HB   ASP  12          1HB       ASP  12  25.192  -1.475  -4.666
   92   2HB   ASP  12          2HB       ASP  12  24.036  -2.672  -5.250
   93    H    ALA  13           H        ALA  13  23.415  -1.513  -8.722
   94    HA   ALA  13           HA       ALA  13  23.735  -4.381  -9.437
   95   1HB   ALA  13          1HB       ALA  13  21.438  -3.622  -8.902
   96   2HB   ALA  13          2HB       ALA  13  21.542  -2.430 -10.197
   97   3HB   ALA  13          3HB       ALA  13  21.570  -4.152 -10.578
   98    H    PHE  14           H        PHE  14  24.406  -1.193 -10.527
   99    HA   PHE  14           HA       PHE  14  24.481  -1.825 -13.367
  100   1HB   PHE  14          1HB       PHE  14  25.244   0.386 -13.682
  101   2HB   PHE  14          2HB       PHE  14  24.195   0.498 -12.271
  102    HD1  PHE  14           HD1      PHE  14  26.247  -0.946 -10.380
  103    HD2  PHE  14           HD2      PHE  14  26.558   2.353 -13.115
  104    HE1  PHE  14           HE1      PHE  14  28.134  -0.031  -9.061
  105    HE2  PHE  14           HE2      PHE  14  28.446   3.267 -11.793
  106    HZ   PHE  14           HZ       PHE  14  29.234   2.075  -9.767
  107    H    SER  15           H        SER  15  26.378  -2.919 -10.916
  108    HA   SER  15           HA       SER  15  28.629  -3.399 -12.771
  109   1HB   SER  15          1HB       SER  15  29.477  -1.507 -11.637
  110   2HB   SER  15          2HB       SER  15  28.787  -2.017 -10.099
  111    HG   SER  15           HG       SER  15  31.194  -2.411 -10.789
  112    HA   PRO  16           HA       PRO  16  27.845  -7.251 -10.443
  113   1HB   PRO  16          1HB       PRO  16  27.647  -8.818 -12.668
  114   2HB   PRO  16          2HB       PRO  16  26.283  -7.891 -12.020
  115   1HG   PRO  16          1HG       PRO  16  27.766  -7.476 -14.492
  116   2HG   PRO  16          2HG       PRO  16  26.244  -6.742 -13.967
  117   1HD   PRO  16          1HD       PRO  16  28.945  -5.628 -13.858
  118   2HD   PRO  16          2HD       PRO  16  27.392  -4.815 -13.605
  119    H    GLN  17           H        GLN  17  29.571  -7.627 -13.551
  120    HA   GLN  17           HA       GLN  17  31.511  -9.435 -12.541
  121   1HB   GLN  17          1HB       GLN  17  31.574  -7.526 -14.889
  122   2HB   GLN  17          2HB       GLN  17  32.867  -8.682 -14.561
  123   1HG   GLN  17          1HG       GLN  17  30.774 -10.356 -14.398
  124   2HG   GLN  17          2HG       GLN  17  30.083  -9.169 -15.504
  125   1HE2  GLN  17          2HE2      GLN  17  30.813 -11.896 -16.265
  126   2HE2  GLN  17          1HE2      GLN  17  32.048 -11.778 -17.424
  127    H    VAL  18           H        VAL  18  31.742  -5.930 -13.091
  128    HA   VAL  18           HA       VAL  18  34.352  -5.582 -12.005
  129    HB   VAL  18           HB       VAL  18  31.999  -3.691 -11.983
  130   1HG1  VAL  18          1HG1      VAL  18  34.103  -3.280 -10.469
  131   2HG1  VAL  18          2HG1      VAL  18  34.887  -2.868 -11.994
  132   3HG1  VAL  18          3HG1      VAL  18  33.477  -1.958 -11.454
  133   1HG2  VAL  18          1HG2      VAL  18  33.921  -4.572 -14.052
  134   2HG2  VAL  18          2HG2      VAL  18  32.307  -3.885 -14.238
  135   3HG2  VAL  18          3HG2      VAL  18  33.688  -2.827 -13.945
  136    H    LEU  19           H        LEU  19  31.275  -6.186 -10.488
  137    HA   LEU  19           HA       LEU  19  31.814  -5.097  -7.903
  138   1HB   LEU  19          1HB       LEU  19  29.635  -6.194  -8.836
  139   2HB   LEU  19          2HB       LEU  19  30.349  -7.705  -8.277
  140    HG   LEU  19           HG       LEU  19  30.522  -6.846  -6.010
  141   1HD1  LEU  19          1HD1      LEU  19  30.009  -4.291  -7.401
  142   2HD1  LEU  19          2HD1      LEU  19  29.150  -4.483  -5.873
  143   3HD1  LEU  19          3HD1      LEU  19  30.909  -4.604  -5.917
  144   1HD2  LEU  19          1HD2      LEU  19  28.024  -7.074  -7.462
  145   2HD2  LEU  19          2HD2      LEU  19  28.398  -7.584  -5.816
  146   3HD2  LEU  19          3HD2      LEU  19  27.855  -5.935  -6.127
  147    H    ALA  20           H        ALA  20  32.230  -8.474  -9.028
  148    HA   ALA  20           HA       ALA  20  33.592  -9.484  -6.778
  149   1HB   ALA  20          1HB       ALA  20  32.838 -10.825  -8.760
  150   2HB   ALA  20          2HB       ALA  20  34.187 -10.153  -9.676
  151   3HB   ALA  20          3HB       ALA  20  34.497 -11.180  -8.277
  152    H    ALA  21           H        ALA  21  34.982  -8.044  -9.710
  153    HA   ALA  21           HA       ALA  21  37.706  -8.133  -9.103
  154   1HB   ALA  21          1HB       ALA  21  35.955  -6.558 -10.815
  155   2HB   ALA  21          2HB       ALA  21  37.291  -5.580 -10.208
  156   3HB   ALA  21          3HB       ALA  21  37.620  -7.065 -11.101
  157    H    VAL  22           H        VAL  22  35.502  -5.470  -8.324
  158    HA   VAL  22           HA       VAL  22  37.218  -3.851  -6.832
  159    HB   VAL  22           HB       VAL  22  34.263  -4.409  -6.466
  160   1HG1  VAL  22          1HG1      VAL  22  36.087  -3.061  -4.696
  161   2HG1  VAL  22          2HG1      VAL  22  34.996  -1.873  -5.410
  162   3HG1  VAL  22          3HG1      VAL  22  34.341  -3.256  -4.533
  163   1HG2  VAL  22          1HG2      VAL  22  35.843  -2.150  -7.736
  164   2HG2  VAL  22          2HG2      VAL  22  34.865  -3.347  -8.583
  165   3HG2  VAL  22          3HG2      VAL  22  34.091  -2.156  -7.538
  166    H    ILE  23           H        ILE  23  35.545  -6.798  -5.849
  167    HA   ILE  23           HA       ILE  23  36.227  -6.548  -3.047
  168    HB   ILE  23           HB       ILE  23  35.170  -8.738  -4.818
  169   1HG1  ILE  23          1HG1      ILE  23  33.925  -8.285  -2.225
  170   2HG1  ILE  23          2HG1      ILE  23  34.082  -6.781  -3.132
  171   1HG2  ILE  23          1HG2      ILE  23  36.171  -9.106  -1.976
  172   2HG2  ILE  23          2HG2      ILE  23  35.182 -10.273  -2.854
  173   3HG2  ILE  23          3HG2      ILE  23  36.810  -9.896  -3.418
  174   1HD1  ILE  23          1HD1      ILE  23  32.973  -9.304  -4.375
  175   2HD1  ILE  23          2HD1      ILE  23  31.948  -8.127  -3.555
  176   3HD1  ILE  23          3HD1      ILE  23  32.862  -7.654  -4.987
  177    H    PHE  24           H        PHE  24  37.733  -8.091  -5.860
  178    HA   PHE  24           HA       PHE  24  39.790  -9.510  -4.503
  179   1HB   PHE  24          1HB       PHE  24  39.107  -9.156  -7.126
  180   2HB   PHE  24          2HB       PHE  24  40.540  -8.133  -7.031
  181    HD1  PHE  24           HD1      PHE  24  39.417 -11.479  -5.738
  182    HD2  PHE  24           HD2      PHE  24  42.563  -9.160  -7.517
  183    HE1  PHE  24           HE1      PHE  24  40.860 -13.494  -5.811
  184    HE2  PHE  24           HE2      PHE  24  44.007 -11.174  -7.591
  185    HZ   PHE  24           HZ       PHE  24  43.157 -13.341  -6.737
  186    H    ILE  25           H        ILE  25  39.579  -6.120  -5.553
  187    HA   ILE  25           HA       ILE  25  42.244  -5.454  -4.584
  188    HB   ILE  25           HB       ILE  25  39.913  -3.566  -5.057
  189   1HG1  ILE  25          1HG1      ILE  25  41.984  -4.600  -7.024
  190   2HG1  ILE  25          2HG1      ILE  25  40.267  -5.006  -7.037
  191   1HG2  ILE  25          1HG2      ILE  25  42.653  -3.245  -4.250
  192   2HG2  ILE  25          2HG2      ILE  25  42.439  -2.527  -5.847
  193   3HG2  ILE  25          3HG2      ILE  25  41.429  -1.999  -4.501
  194   1HD1  ILE  25          1HD1      ILE  25  40.040  -2.336  -7.033
  195   2HD1  ILE  25          2HD1      ILE  25  41.619  -2.463  -7.809
  196   3HD1  ILE  25          3HD1      ILE  25  40.216  -3.254  -8.529
  197    H    TYR  26           H        TYR  26  38.967  -5.466  -3.299
  198    HA   TYR  26           HA       TYR  26  39.484  -3.983  -0.895
  199   1HB   TYR  26          1HB       TYR  26  37.197  -4.469  -1.657
  200   2HB   TYR  26          2HB       TYR  26  37.485  -6.198  -1.473
  201    HD1  TYR  26           HD1      TYR  26  37.895  -7.156   0.813
  202    HD2  TYR  26           HD2      TYR  26  36.650  -3.090   0.210
  203    HE1  TYR  26           HE1      TYR  26  37.195  -7.018   3.189
  204    HE2  TYR  26           HE2      TYR  26  35.952  -2.951   2.586
  205    HH   TYR  26           HH       TYR  26  35.179  -4.816   4.383
  206    H    PHE  27           H        PHE  27  40.254  -7.141  -1.996
  207    HA   PHE  27           HA       PHE  27  40.903  -8.196   0.676
  208   1HB   PHE  27          1HB       PHE  27  40.099  -9.338  -1.724
  209   2HB   PHE  27          2HB       PHE  27  41.827  -9.681  -1.685
  210    HD1  PHE  27           HD1      PHE  27  38.695  -9.950   0.333
  211    HD2  PHE  27           HD2      PHE  27  42.701 -11.374  -0.275
  212    HE1  PHE  27           HE1      PHE  27  38.299 -11.765   1.976
  213    HE2  PHE  27           HE2      PHE  27  42.305 -13.190   1.368
  214    HZ   PHE  27           HZ       PHE  27  40.104 -13.385   2.493
  215    H    ALA  28           H        ALA  28  42.400  -6.901  -2.193
  216    HA   ALA  28           HA       ALA  28  45.127  -7.528  -1.334
  217   1HB   ALA  28          1HB       ALA  28  43.800  -6.704  -3.757
  218   2HB   ALA  28          2HB       ALA  28  45.171  -5.643  -3.436
  219   3HB   ALA  28          3HB       ALA  28  45.414  -7.386  -3.559
  220    H    ALA  29           H        ALA  29  43.796  -4.379  -2.374
  221    HA   ALA  29           HA       ALA  29  45.725  -2.954  -0.725
  222   1HB   ALA  29          1HB       ALA  29  44.561  -2.307  -3.009
  223   2HB   ALA  29          2HB       ALA  29  43.349  -1.605  -1.936
  224   3HB   ALA  29          3HB       ALA  29  45.024  -1.061  -1.850
  225    H    LEU  30           H        LEU  30  42.165  -3.112  -0.690
  226    HA   LEU  30           HA       LEU  30  41.996  -1.614   1.796
  227   1HB   LEU  30          1HB       LEU  30  40.218  -2.391  -0.269
  228   2HB   LEU  30          2HB       LEU  30  39.581  -3.068   1.231
  229    HG   LEU  30           HG       LEU  30  40.469  -0.454   1.854
  230   1HD1  LEU  30          1HD1      LEU  30  40.312  -0.223  -0.718
  231   2HD1  LEU  30          2HD1      LEU  30  38.569  -0.359  -0.490
  232   3HD1  LEU  30          3HD1      LEU  30  39.455   0.970   0.258
  233   1HD2  LEU  30          1HD2      LEU  30  37.710  -1.635   1.400
  234   2HD2  LEU  30          2HD2      LEU  30  38.597  -1.588   2.924
  235   3HD2  LEU  30          3HD2      LEU  30  38.009  -0.091   2.200
  236    H    SER  31           H        SER  31  43.452  -4.299   1.770
  237    HA   SER  31           HA       SER  31  41.889  -6.177   3.249
  238   1HB   SER  31          1HB       SER  31  43.731  -7.453   3.027
  239   2HB   SER  31          2HB       SER  31  44.450  -6.107   2.149
  240    HG   SER  31           HG       SER  31  45.558  -6.987   4.119
  241    HA   PRO  32           HA       PRO  32  43.807  -4.094   7.153
  242   1HB   PRO  32          1HB       PRO  32  45.636  -2.110   6.762
  243   2HB   PRO  32          2HB       PRO  32  46.053  -3.831   6.752
  244   1HG   PRO  32          1HG       PRO  32  46.013  -1.939   4.533
  245   2HG   PRO  32          2HG       PRO  32  46.714  -3.563   4.606
  246   1HD   PRO  32          1HD       PRO  32  44.166  -2.731   3.458
  247   2HD   PRO  32          2HD       PRO  32  44.973  -4.303   3.335
  248    H    ALA  33           H        ALA  33  42.850  -1.973   4.542
  249    HA   ALA  33           HA       ALA  33  42.446   0.431   6.017
  250   1HB   ALA  33          1HB       ALA  33  42.108  -0.331   3.399
  251   2HB   ALA  33          2HB       ALA  33  40.441  -0.111   3.931
  252   3HB   ALA  33          3HB       ALA  33  41.594   1.217   4.068
  253    H    ILE  34           H        ILE  34  40.538  -2.496   5.810
  254    HA   ILE  34           HA       ILE  34  37.997  -1.735   6.563
  255    HB   ILE  34           HB       ILE  34  38.264  -3.845   8.233
  256   1HG1  ILE  34          1HG1      ILE  34  40.231  -4.671   6.176
  257   2HG1  ILE  34          2HG1      ILE  34  40.849  -3.581   7.417
  258   1HG2  ILE  34          1HG2      ILE  34  37.237  -3.374   5.726
  259   2HG2  ILE  34          2HG2      ILE  34  38.407  -4.653   5.406
  260   3HG2  ILE  34          3HG2      ILE  34  37.122  -4.909   6.587
  261   1HD1  ILE  34          1HD1      ILE  34  39.344  -6.154   7.973
  262   2HD1  ILE  34          2HD1      ILE  34  41.096  -5.976   8.058
  263   3HD1  ILE  34          3HD1      ILE  34  40.063  -5.086   9.177
  264    H    THR  35           H        THR  35  40.456  -2.552   9.049
  265    HA   THR  35           HA       THR  35  38.894  -1.282  11.129
  266    HB   THR  35           HB       THR  35  40.413  -3.179  11.577
  267    HG1  THR  35           HG1      THR  35  39.944  -1.809  13.282
  268   1HG2  THR  35          1HG2      THR  35  42.329  -1.331  10.326
  269   2HG2  THR  35          2HG2      THR  35  42.923  -2.079  11.808
  270   3HG2  THR  35          3HG2      THR  35  42.387  -3.088  10.465
  271    H    PHE  36           H        PHE  36  41.501  -0.169   9.042
  272    HA   PHE  36           HA       PHE  36  42.123   2.136  10.701
  273   1HB   PHE  36          1HB       PHE  36  43.191   0.926   8.348
  274   2HB   PHE  36          2HB       PHE  36  42.847   2.618   7.981
  275    HD1  PHE  36           HD1      PHE  36  43.418   4.239  10.113
  276    HD2  PHE  36           HD2      PHE  36  45.326   0.503   9.183
  277    HE1  PHE  36           HE1      PHE  36  45.411   4.932  11.416
  278    HE2  PHE  36           HE2      PHE  36  47.319   1.198  10.486
  279    HZ   PHE  36           HZ       PHE  36  47.361   3.412  11.602
  280    H    GLY  37           H        GLY  37  40.916   3.943  10.870
  281   1HA   GLY  37          1HA       GLY  37  39.639   5.796  10.097
  282   2HA   GLY  37          2HA       GLY  37  39.494   5.007   8.526
  283    H    GLY  38           H        GLY  38  37.603   6.067  10.898
  284   1HA   GLY  38          1HA       GLY  38  35.280   4.701  10.153
  285   2HA   GLY  38          2HA       GLY  38  35.943   3.781  11.502
  286    H    LEU  39           H        LEU  39  36.594   5.261  13.443
  287    HA   LEU  39           HA       LEU  39  34.212   6.720  14.232
  288   1HB   LEU  39          1HB       LEU  39  36.845   6.052  15.493
  289   2HB   LEU  39          2HB       LEU  39  35.883   7.351  16.200
  290    HG   LEU  39           HG       LEU  39  34.630   4.689  15.545
  291   1HD1  LEU  39          1HD1      LEU  39  36.709   5.140  17.463
  292   2HD1  LEU  39          2HD1      LEU  39  35.198   4.885  18.336
  293   3HD1  LEU  39          3HD1      LEU  39  35.772   3.670  17.194
  294   1HD2  LEU  39          1HD2      LEU  39  33.213   6.676  16.072
  295   2HD2  LEU  39          2HD2      LEU  39  33.043   5.391  17.269
  296   3HD2  LEU  39          3HD2      LEU  39  34.027   6.809  17.631
  297    H    LEU  40           H        LEU  40  33.990   8.528  12.864
  298    HA   LEU  40           HA       LEU  40  36.239  10.487  12.882
  299   1HB   LEU  40          1HB       LEU  40  35.072  11.541  10.973
  300   2HB   LEU  40          2HB       LEU  40  35.410   9.841  10.650
  301    HG   LEU  40           HG       LEU  40  32.909   9.884  11.951
  302   1HD1  LEU  40          1HD1      LEU  40  33.356  12.394  10.742
  303   2HD1  LEU  40          2HD1      LEU  40  32.299  11.514   9.639
  304   3HD1  LEU  40          3HD1      LEU  40  31.818  11.751  11.319
  305   1HD2  LEU  40          1HD2      LEU  40  33.967   8.531   9.944
  306   2HD2  LEU  40          2HD2      LEU  40  32.218   8.741  10.038
  307   3HD2  LEU  40          3HD2      LEU  40  33.172   9.761   8.961
  308    H    GLY  41           H        GLY  41  33.823   9.870  14.851
  309   1HA   GLY  41          1HA       GLY  41  33.356  12.742  15.422
  310   2HA   GLY  41          2HA       GLY  41  31.938  11.723  15.193
  311    H    GLU  42           H        GLU  42  34.984  11.722  17.046
  312    HA   GLU  42           HA       GLU  42  34.235   9.873  19.035
  313   1HB   GLU  42          1HB       GLU  42  35.792  11.354  20.523
  314   2HB   GLU  42          2HB       GLU  42  36.486  10.552  19.113
  315   1HG   GLU  42          1HG       GLU  42  35.353  13.083  18.323
  316   2HG   GLU  42          2HG       GLU  42  36.467  13.327  19.668
  317    H    LYS  43           H        LYS  43  33.221  13.172  18.543
  318    HA   LYS  43           HA       LYS  43  31.813  14.571  19.808
  319   1HB   LYS  43          1HB       LYS  43  30.205  12.873  19.040
  320   2HB   LYS  43          2HB       LYS  43  30.596  11.862  20.432
  321   1HG   LYS  43          1HG       LYS  43  29.678  13.439  21.966
  322   2HG   LYS  43          2HG       LYS  43  29.602  14.700  20.735
  323   1HD   LYS  43          1HD       LYS  43  27.637  13.931  19.896
  324   2HD   LYS  43          2HD       LYS  43  28.131  12.244  20.037
  325   1HE   LYS  43          1HE       LYS  43  27.896  13.010  22.676
  326   2HE   LYS  43          2HE       LYS  43  26.582  13.900  21.907
  327   1HZ   LYS  43          1HZ       LYS  43  26.805  11.199  20.974
  328   2HZ   LYS  43          2HZ       LYS  43  26.508  11.289  22.644
  329   3HZ   LYS  43          3HZ       LYS  43  25.446  12.036  21.549
  Start of MODEL    2
    1   1H    ACE   1           HA1      ACE   1  25.646  24.674  -5.398
    2   2H    ACE   1           HA2      ACE   1  25.559  23.952  -7.006
    3   3H    ACE   1           HA3      ACE   1  27.125  24.357  -6.304
    4    H    ARG   2           H        ARG   2  26.975  21.822  -7.126
    5    HA   ARG   2           HA       ARG   2  26.720  20.294  -4.579
    6   1HB   ARG   2          1HB       ARG   2  25.852  19.153  -7.241
    7   2HB   ARG   2          2HB       ARG   2  25.560  18.497  -5.630
    8   1HG   ARG   2          1HG       ARG   2  24.398  20.907  -5.324
    9   2HG   ARG   2          2HG       ARG   2  24.164  20.702  -7.060
   10   1HD   ARG   2          1HD       ARG   2  23.078  18.540  -6.691
   11   2HD   ARG   2          2HD       ARG   2  23.377  18.663  -4.957
   12    HE   ARG   2           HE       ARG   2  21.346  20.173  -6.475
   13   1HH1  ARG   2          1HH2      ARG   2  21.667  18.639  -3.646
   14   2HH1  ARG   2          2HH2      ARG   2  21.209  19.950  -2.611
   15   1HH2  ARG   2          1HH1      ARG   2  21.392  22.340  -5.114
   16   2HH2  ARG   2          2HH1      ARG   2  21.050  22.042  -3.443
   17    H    TYR   3           H        TYR   3  28.483  19.011  -4.211
   18    HA   TYR   3           HA       TYR   3  29.977  17.497  -5.985
   19   1HB   TYR   3          1HB       TYR   3  30.481  20.348  -6.347
   20   2HB   TYR   3          2HB       TYR   3  31.953  19.467  -5.941
   21    HD1  TYR   3           HD1      TYR   3  31.863  16.944  -7.146
   22    HD2  TYR   3           HD2      TYR   3  30.182  20.604  -8.641
   23    HE1  TYR   3           HE1      TYR   3  31.966  16.047  -9.456
   24    HE2  TYR   3           HE2      TYR   3  30.286  19.707 -10.951
   25    HH   TYR   3           HH       TYR   3  31.339  18.056 -12.236
   26    HA   PRO   4           HA       PRO   4  32.542  18.525  -2.024
   27   1HB   PRO   4          1HB       PRO   4  31.920  20.806  -0.667
   28   2HB   PRO   4          2HB       PRO   4  33.050  20.772  -2.030
   29   1HG   PRO   4          1HG       PRO   4  30.349  21.896  -1.887
   30   2HG   PRO   4          2HG       PRO   4  31.637  22.209  -3.060
   31   1HD   PRO   4          1HD       PRO   4  29.334  20.509  -3.375
   32   2HD   PRO   4          2HD       PRO   4  30.612  20.851  -4.552
   33    H    TYR   5           H        TYR   5  29.159  19.576  -1.765
   34    HA   TYR   5           HA       TYR   5  28.868  18.532   0.954
   35   1HB   TYR   5          1HB       TYR   5  27.543  20.473   0.164
   36   2HB   TYR   5          2HB       TYR   5  26.782  19.446  -1.051
   37    HD1  TYR   5           HD1      TYR   5  25.284  17.584  -0.368
   38    HD2  TYR   5           HD2      TYR   5  26.902  20.358   2.485
   39    HE1  TYR   5           HE1      TYR   5  23.603  16.848   1.301
   40    HE2  TYR   5           HE2      TYR   5  25.222  19.621   4.153
   41    HH   TYR   5           HH       TYR   5  22.532  18.191   3.544
   42    H    TYR   6           H        TYR   6  28.651  17.328  -2.255
   43    HA   TYR   6           HA       TYR   6  26.734  15.251  -1.963
   44   1HB   TYR   6          1HB       TYR   6  28.663  16.072  -3.897
   45   2HB   TYR   6          2HB       TYR   6  28.891  14.346  -3.613
   46    HD1  TYR   6           HD1      TYR   6  27.088  12.741  -4.058
   47    HD2  TYR   6           HD2      TYR   6  26.581  16.939  -4.816
   48    HE1  TYR   6           HE1      TYR   6  25.061  12.254  -5.401
   49    HE2  TYR   6           HE2      TYR   6  24.554  16.452  -6.158
   50    HH   TYR   6           HH       TYR   6  23.301  13.136  -6.454
   51    H    LEU   7           H        LEU   7  30.193  15.344  -1.180
   52    HA   LEU   7           HA       LEU   7  30.589  12.602  -0.630
   53   1HB   LEU   7          1HB       LEU   7  31.893  15.136   0.130
   54   2HB   LEU   7          2HB       LEU   7  32.143  13.815   1.272
   55    HG   LEU   7           HG       LEU   7  32.456  12.618  -1.231
   56   1HD1  LEU   7          1HD1      LEU   7  33.566  15.424  -1.172
   57   2HD1  LEU   7          2HD1      LEU   7  34.324  14.161  -2.140
   58   3HD1  LEU   7          3HD1      LEU   7  32.655  14.632  -2.457
   59   1HD2  LEU   7          1HD2      LEU   7  34.166  13.458   1.050
   60   2HD2  LEU   7          2HD2      LEU   7  33.968  11.865   0.321
   61   3HD2  LEU   7          3HD2      LEU   7  35.013  13.061  -0.445
   62    H    SER   8           H        SER   8  29.639  15.175   1.675
   63    HA   SER   8           HA       SER   8  29.347  13.586   3.967
   64   1HB   SER   8          1HB       SER   8  29.061  15.872   4.353
   65   2HB   SER   8          2HB       SER   8  27.960  16.067   2.992
   66    HG   SER   8           HG       SER   8  27.269  14.400   5.149
   67    H    ASP   9           H        ASP   9  27.394  13.609   1.100
   68    HA   ASP   9           HA       ASP   9  25.118  12.285   2.407
   69   1HB   ASP   9          1HB       ASP   9  25.623  13.610  -0.119
   70   2HB   ASP   9          2HB       ASP   9  24.863  12.040  -0.381
   71    H    ILE  10           H        ILE  10  27.536  11.412  -0.079
   72    HA   ILE  10           HA       ILE  10  26.774   8.726  -0.433
   73    HB   ILE  10           HB       ILE  10  29.611   9.789  -0.449
   74   1HG1  ILE  10          1HG1      ILE  10  28.114   9.556  -2.982
   75   2HG1  ILE  10          2HG1      ILE  10  27.509  10.807  -1.895
   76   1HG2  ILE  10          1HG2      ILE  10  28.372   7.238  -1.093
   77   2HG2  ILE  10          2HG2      ILE  10  29.187   7.924  -2.498
   78   3HG2  ILE  10          3HG2      ILE  10  30.083   7.653  -1.004
   79   1HD1  ILE  10          1HD1      ILE  10  30.263  11.111  -1.743
   80   2HD1  ILE  10          2HD1      ILE  10  29.990  10.736  -3.445
   81   3HD1  ILE  10          3HD1      ILE  10  29.172  12.111  -2.702
   82    H    THR  11           H        THR  11  28.139  10.209   2.345
   83    HA   THR  11           HA       THR  11  29.281   7.701   3.367
   84    HB   THR  11           HB       THR  11  29.634   9.183   5.448
   85    HG1  THR  11           HG1      THR  11  28.827  11.100   5.337
   86   1HG2  THR  11          1HG2      THR  11  31.301   8.632   3.574
   87   2HG2  THR  11          2HG2      THR  11  30.917  10.225   2.922
   88   3HG2  THR  11          3HG2      THR  11  31.631  10.078   4.528
   89    H    ASP  12           H        ASP  12  26.464   9.777   3.948
   90    HA   ASP  12           HA       ASP  12  25.555   8.002   6.114
   91   1HB   ASP  12          1HB       ASP  12  24.687  10.650   5.023
   92   2HB   ASP  12          2HB       ASP  12  23.544   9.697   5.969
   93    H    ALA  13           H        ALA  13  23.845   9.349   3.270
   94    HA   ALA  13           HA       ALA  13  21.852   7.280   3.311
   95   1HB   ALA  13          1HB       ALA  13  22.614   9.219   1.114
   96   2HB   ALA  13          2HB       ALA  13  21.144   8.244   1.143
   97   3HB   ALA  13          3HB       ALA  13  21.402   9.487   2.367
   98    H    PHE  14           H        PHE  14  25.055   7.169   2.093
   99    HA   PHE  14           HA       PHE  14  24.344   5.247  -0.026
  100   1HB   PHE  14          1HB       PHE  14  26.405   7.047   0.238
  101   2HB   PHE  14          2HB       PHE  14  27.190   5.516   0.626
  102    HD1  PHE  14           HD1      PHE  14  26.254   3.494  -0.985
  103    HD2  PHE  14           HD2      PHE  14  26.493   7.661  -2.004
  104    HE1  PHE  14           HE1      PHE  14  26.294   2.904  -3.394
  105    HE2  PHE  14           HE2      PHE  14  26.533   7.069  -4.412
  106    HZ   PHE  14           HZ       PHE  14  26.433   4.692  -5.107
  107    H    SER  15           H        SER  15  24.301   4.864   3.135
  108    HA   SER  15           HA       SER  15  24.962   3.154   4.659
  109   1HB   SER  15          1HB       SER  15  23.068   2.103   3.784
  110   2HB   SER  15          2HB       SER  15  23.793   1.904   2.192
  111    HG   SER  15           HG       SER  15  24.097   0.397   4.521
  112    HA   PRO  16           HA       PRO  16  29.043   2.175   2.600
  113   1HB   PRO  16          1HB       PRO  16  30.560   4.057   3.863
  114   2HB   PRO  16          2HB       PRO  16  29.727   4.354   2.328
  115   1HG   PRO  16          1HG       PRO  16  29.134   5.414   4.991
  116   2HG   PRO  16          2HG       PRO  16  28.596   5.986   3.405
  117   1HD   PRO  16          1HD       PRO  16  27.127   4.400   5.313
  118   2HD   PRO  16          2HD       PRO  16  26.575   5.030   3.752
  119    H    GLN  17           H        GLN  17  28.597   3.307   5.975
  120    HA   GLN  17           HA       GLN  17  30.653   1.697   7.115
  121   1HB   GLN  17          1HB       GLN  17  28.200   3.060   8.139
  122   2HB   GLN  17          2HB       GLN  17  28.940   1.833   9.169
  123   1HG   GLN  17          1HG       GLN  17  31.168   3.138   8.513
  124   2HG   GLN  17          2HG       GLN  17  30.035   4.467   8.272
  125   1HE2  GLN  17          2HE2      GLN  17  31.493   5.199  10.278
  126   2HE2  GLN  17          1HE2      GLN  17  30.858   4.814  11.805
  127    H    VAL  18           H        VAL  18  27.211   1.060   6.559
  128    HA   VAL  18           HA       VAL  18  27.274  -1.622   7.669
  129    HB   VAL  18           HB       VAL  18  25.344  -0.216   5.810
  130   1HG1  VAL  18          1HG1      VAL  18  25.566  -2.930   5.999
  131   2HG1  VAL  18          2HG1      VAL  18  24.468  -2.596   7.338
  132   3HG1  VAL  18          3HG1      VAL  18  24.042  -2.093   5.703
  133   1HG2  VAL  18          1HG2      VAL  18  25.610   0.603   8.192
  134   2HG2  VAL  18          2HG2      VAL  18  23.985   0.057   7.779
  135   3HG2  VAL  18          3HG2      VAL  18  25.051  -0.982   8.724
  136    H    LEU  19           H        LEU  19  27.291  -0.347   4.306
  137    HA   LEU  19           HA       LEU  19  27.399  -2.741   2.887
  138   1HB   LEU  19          1HB       LEU  19  28.208  -0.018   2.408
  139   2HB   LEU  19          2HB       LEU  19  29.445  -1.105   1.777
  140    HG   LEU  19           HG       LEU  19  27.645  -0.600   0.111
  141   1HD1  LEU  19          1HD1      LEU  19  28.381  -3.309   1.077
  142   2HD1  LEU  19          2HD1      LEU  19  27.014  -3.234  -0.035
  143   3HD1  LEU  19          3HD1      LEU  19  28.582  -2.589  -0.521
  144   1HD2  LEU  19          1HD2      LEU  19  25.971  -0.946   2.309
  145   2HD2  LEU  19          2HD2      LEU  19  25.451  -0.820   0.629
  146   3HD2  LEU  19          3HD2      LEU  19  25.707  -2.406   1.357
  147    H    ALA  20           H        ALA  20  30.049  -1.125   4.613
  148    HA   ALA  20           HA       ALA  20  32.147  -2.918   3.948
  149   1HB   ALA  20          1HB       ALA  20  31.621  -1.461   6.560
  150   2HB   ALA  20          2HB       ALA  20  33.161  -2.185   6.095
  151   3HB   ALA  20          3HB       ALA  20  32.520  -0.816   5.186
  152    H    ALA  21           H        ALA  21  29.854  -2.939   6.634
  153    HA   ALA  21           HA       ALA  21  30.630  -5.290   7.963
  154   1HB   ALA  21          1HB       ALA  21  27.886  -4.079   7.500
  155   2HB   ALA  21          2HB       ALA  21  28.180  -5.404   8.626
  156   3HB   ALA  21          3HB       ALA  21  28.936  -3.833   8.896
  157    H    VAL  22           H        VAL  22  28.097  -5.024   5.477
  158    HA   VAL  22           HA       VAL  22  27.571  -7.773   5.165
  159    HB   VAL  22           HB       VAL  22  27.568  -5.669   2.975
  160   1HG1  VAL  22          1HG1      VAL  22  27.350  -8.066   2.257
  161   2HG1  VAL  22          2HG1      VAL  22  25.928  -8.201   3.291
  162   3HG1  VAL  22          3HG1      VAL  22  25.915  -7.100   1.913
  163   1HG2  VAL  22          1HG2      VAL  22  26.164  -5.622   5.372
  164   2HG2  VAL  22          2HG2      VAL  22  25.702  -4.776   3.895
  165   3HG2  VAL  22          3HG2      VAL  22  25.024  -6.365   4.250
  166    H    ILE  23           H        ILE  23  30.274  -5.864   4.102
  167    HA   ILE  23           HA       ILE  23  31.231  -7.872   2.192
  168    HB   ILE  23           HB       ILE  23  32.156  -5.204   3.185
  169   1HG1  ILE  23          1HG1      ILE  23  32.491  -4.924   0.688
  170   2HG1  ILE  23          2HG1      ILE  23  31.833  -6.547   0.485
  171   1HG2  ILE  23          1HG2      ILE  23  33.955  -7.289   1.915
  172   2HG2  ILE  23          2HG2      ILE  23  34.329  -5.565   1.933
  173   3HG2  ILE  23          3HG2      ILE  23  34.203  -6.457   3.450
  174   1HD1  ILE  23          1HD1      ILE  23  29.885  -5.531   2.014
  175   2HD1  ILE  23          2HD1      ILE  23  30.453  -4.027   1.293
  176   3HD1  ILE  23          3HD1      ILE  23  29.883  -5.340   0.264
  177    H    PHE  24           H        PHE  24  31.784  -6.990   5.547
  178    HA   PHE  24           HA       PHE  24  34.192  -8.346   6.072
  179   1HB   PHE  24          1HB       PHE  24  32.451  -7.002   7.627
  180   2HB   PHE  24          2HB       PHE  24  31.968  -8.644   8.051
  181    HD1  PHE  24           HD1      PHE  24  33.968 -10.310   8.564
  182    HD2  PHE  24           HD2      PHE  24  34.243  -6.028   8.760
  183    HE1  PHE  24           HE1      PHE  24  35.948 -10.505  10.045
  184    HE2  PHE  24           HE2      PHE  24  36.222  -6.223  10.241
  185    HZ   PHE  24           HZ       PHE  24  37.075  -8.461  10.884
  186    H    ILE  25           H        ILE  25  30.853  -9.654   6.181
  187    HA   ILE  25           HA       ILE  25  31.745 -12.394   6.575
  188    HB   ILE  25           HB       ILE  25  29.146 -11.438   5.317
  189   1HG1  ILE  25          1HG1      ILE  25  29.496 -12.122   8.227
  190   2HG1  ILE  25          2HG1      ILE  25  29.867 -10.495   7.657
  191   1HG2  ILE  25          1HG2      ILE  25  30.118 -13.973   5.503
  192   2HG2  ILE  25          2HG2      ILE  25  29.284 -13.835   7.051
  193   3HG2  ILE  25          3HG2      ILE  25  28.399 -13.582   5.547
  194   1HD1  ILE  25          1HD1      ILE  25  27.529 -10.633   6.501
  195   2HD1  ILE  25          2HD1      ILE  25  27.228 -11.939   7.647
  196   3HD1  ILE  25          3HD1      ILE  25  27.602 -10.319   8.235
  197    H    TYR  26           H        TYR  26  31.086 -10.329   3.787
  198    HA   TYR  26           HA       TYR  26  31.239 -12.350   1.762
  199   1HB   TYR  26          1HB       TYR  26  30.610  -9.787   1.623
  200   2HB   TYR  26          2HB       TYR  26  32.337  -9.582   1.336
  201    HD1  TYR  26           HD1      TYR  26  29.952 -12.280   0.296
  202    HD2  TYR  26           HD2      TYR  26  32.643  -9.171  -0.941
  203    HE1  TYR  26           HE1      TYR  26  29.638 -12.950  -2.071
  204    HE2  TYR  26           HE2      TYR  26  32.332  -9.840  -3.308
  205    HH   TYR  26           HH       TYR  26  29.845 -11.888  -4.321
  206    H    PHE  27           H        PHE  27  33.555 -10.932   3.854
  207    HA   PHE  27           HA       PHE  27  35.885 -11.640   2.215
  208   1HB   PHE  27          1HB       PHE  27  35.495  -9.729   4.123
  209   2HB   PHE  27          2HB       PHE  27  36.217 -11.009   5.100
  210    HD1  PHE  27           HD1      PHE  27  36.705  -8.930   2.046
  211    HD2  PHE  27           HD2      PHE  27  38.538 -11.542   4.923
  212    HE1  PHE  27           HE1      PHE  27  38.941  -8.374   1.128
  213    HE2  PHE  27           HE2      PHE  27  40.774 -10.986   4.002
  214    HZ   PHE  27           HZ       PHE  27  40.974  -9.402   2.104
  215    H    ALA  28           H        ALA  28  34.166 -12.720   5.094
  216    HA   ALA  28           HA       ALA  28  35.796 -14.770   6.047
  217   1HB   ALA  28          1HB       ALA  28  32.786 -14.640   5.699
  218   2HB   ALA  28          2HB       ALA  28  33.587 -15.952   6.564
  219   3HB   ALA  28          3HB       ALA  28  33.714 -14.296   7.159
  220    H    ALA  29           H        ALA  29  33.339 -15.012   3.493
  221    HA   ALA  29           HA       ALA  29  34.022 -17.692   2.671
  222   1HB   ALA  29          1HB       ALA  29  32.431 -15.414   1.564
  223   2HB   ALA  29          2HB       ALA  29  32.876 -16.725   0.472
  224   3HB   ALA  29          3HB       ALA  29  31.921 -17.066   1.915
  225    H    LEU  30           H        LEU  30  34.877 -14.491   1.501
  226    HA   LEU  30           HA       LEU  30  36.474 -15.358  -0.733
  227   1HB   LEU  30          1HB       LEU  30  36.371 -12.755   0.806
  228   2HB   LEU  30          2HB       LEU  30  37.316 -12.979  -0.663
  229    HG   LEU  30           HG       LEU  30  34.357 -13.584  -0.537
  230   1HD1  LEU  30          1HD1      LEU  30  35.436 -11.067  -0.177
  231   2HD1  LEU  30          2HD1      LEU  30  35.184 -11.127  -1.922
  232   3HD1  LEU  30          3HD1      LEU  30  33.830 -11.398  -0.825
  233   1HD2  LEU  30          1HD2      LEU  30  36.320 -13.056  -2.792
  234   2HD2  LEU  30          2HD2      LEU  30  35.566 -14.602  -2.401
  235   3HD2  LEU  30          3HD2      LEU  30  34.583 -13.270  -3.010
  236    H    SER  31           H        SER  31  37.174 -16.236   2.242
  237    HA   SER  31           HA       SER  31  39.564 -15.339   3.179
  238   1HB   SER  31          1HB       SER  31  39.525 -18.270   2.790
  239   2HB   SER  31          2HB       SER  31  39.757 -17.333   4.263
  240    HG   SER  31           HG       SER  31  37.753 -18.390   4.285
  241    HA   PRO  32           HA       PRO  32  42.039 -17.620  -0.275
  242   1HB   PRO  32          1HB       PRO  32  40.610 -19.006  -2.144
  243   2HB   PRO  32          2HB       PRO  32  41.112 -19.688  -0.589
  244   1HG   PRO  32          1HG       PRO  32  38.436 -18.962  -1.503
  245   2HG   PRO  32          2HG       PRO  32  38.918 -19.950  -0.116
  246   1HD   PRO  32          1HD       PRO  32  38.091 -17.175  -0.147
  247   2HD   PRO  32          2HD       PRO  32  38.433 -18.201   1.255
  248    H    ALA  33           H        ALA  33  39.135 -15.925  -1.241
  249    HA   ALA  33           HA       ALA  33  39.925 -15.300  -3.942
  250   1HB   ALA  33          1HB       ALA  33  37.609 -15.058  -3.036
  251   2HB   ALA  33          2HB       ALA  33  38.174 -13.691  -2.079
  252   3HB   ALA  33          3HB       ALA  33  38.195 -13.600  -3.838
  253    H    ILE  34           H        ILE  34  41.052 -14.260  -0.931
  254    HA   ILE  34           HA       ILE  34  41.731 -11.673  -0.857
  255    HB   ILE  34           HB       ILE  34  43.719 -13.945  -0.627
  256   1HG1  ILE  34          1HG1      ILE  34  42.331 -12.392   1.565
  257   2HG1  ILE  34          2HG1      ILE  34  41.631 -13.853   0.865
  258   1HG2  ILE  34          1HG2      ILE  34  43.905 -11.017   0.103
  259   2HG2  ILE  34          2HG2      ILE  34  44.913 -12.243   0.873
  260   3HG2  ILE  34          3HG2      ILE  34  45.028 -11.971  -0.865
  261   1HD1  ILE  34          1HD1      ILE  34  44.419 -13.714   2.046
  262   2HD1  ILE  34          2HD1      ILE  34  43.002 -14.280   2.932
  263   3HD1  ILE  34          3HD1      ILE  34  43.565 -15.162   1.512
  264    H    THR  35           H        THR  35  43.132 -13.896  -3.262
  265    HA   THR  35           HA       THR  35  44.887 -11.864  -4.376
  266    HB   THR  35           HB       THR  35  43.921 -14.416  -5.690
  267    HG1  THR  35           HG1      THR  35  45.486 -15.431  -4.615
  268   1HG2  THR  35          1HG2      THR  35  45.391 -12.330  -6.726
  269   2HG2  THR  35          2HG2      THR  35  46.648 -13.425  -6.151
  270   3HG2  THR  35          3HG2      THR  35  45.447 -13.993  -7.310
  271    H    PHE  36           H        PHE  36  41.842 -13.351  -5.482
  272    HA   PHE  36           HA       PHE  36  41.357 -12.081  -7.861
  273   1HB   PHE  36          1HB       PHE  36  39.684 -13.546  -6.921
  274   2HB   PHE  36          2HB       PHE  36  39.421 -12.454  -5.561
  275    HD1  PHE  36           HD1      PHE  36  39.583 -12.137  -9.305
  276    HD2  PHE  36           HD2      PHE  36  37.454 -11.229  -5.686
  277    HE1  PHE  36           HE1      PHE  36  37.874 -10.910 -10.617
  278    HE2  PHE  36           HE2      PHE  36  35.745 -10.002  -7.000
  279    HZ   PHE  36           HZ       PHE  36  35.956  -9.842  -9.465
  280    H    GLY  37           H        GLY  37  40.742 -10.596  -4.661
  281   1HA   GLY  37          1HA       GLY  37  40.894  -7.935  -6.027
  282   2HA   GLY  37          2HA       GLY  37  39.730  -8.251  -4.738
  283    H    GLY  38           H        GLY  38  41.005  -6.285  -3.841
  284   1HA   GLY  38          1HA       GLY  38  42.349  -6.788  -1.546
  285   2HA   GLY  38          2HA       GLY  38  43.645  -6.972  -2.726
  286    H    LEU  39           H        LEU  39  43.083  -4.963  -4.540
  287    HA   LEU  39           HA       LEU  39  44.216  -2.672  -3.405
  288   1HB   LEU  39          1HB       LEU  39  43.287  -3.364  -5.925
  289   2HB   LEU  39          2HB       LEU  39  42.247  -2.012  -5.475
  290    HG   LEU  39           HG       LEU  39  45.153  -1.712  -4.898
  291   1HD1  LEU  39          1HD1      LEU  39  43.959  -1.696  -7.681
  292   2HD1  LEU  39          2HD1      LEU  39  45.479  -0.897  -7.279
  293   3HD1  LEU  39          3HD1      LEU  39  45.329  -2.646  -7.106
  294   1HD2  LEU  39          1HD2      LEU  39  42.856   0.018  -5.826
  295   2HD2  LEU  39          2HD2      LEU  39  43.784   0.143  -4.332
  296   3HD2  LEU  39          3HD2      LEU  39  44.520   0.599  -5.868
  297    H    LEU  40           H        LEU  40  43.456  -1.368  -1.813
  298    HA   LEU  40           HA       LEU  40  40.515  -1.248  -1.365
  299   1HB   LEU  40          1HB       LEU  40  42.794  -0.280   0.393
  300   2HB   LEU  40          2HB       LEU  40  41.089  -0.279   0.829
  301    HG   LEU  40           HG       LEU  40  41.726  -2.256   1.826
  302   1HD1  LEU  40          1HD1      LEU  40  41.227  -3.083  -1.048
  303   2HD1  LEU  40          2HD1      LEU  40  41.227  -4.193   0.322
  304   3HD1  LEU  40          3HD1      LEU  40  40.020  -2.911   0.226
  305   1HD2  LEU  40          1HD2      LEU  40  43.887  -2.179  -0.215
  306   2HD2  LEU  40          2HD2      LEU  40  43.980  -2.513   1.513
  307   3HD2  LEU  40          3HD2      LEU  40  43.437  -3.768   0.400
  308    H    GLY  41           H        GLY  41  43.351   0.830  -1.874
  309   1HA   GLY  41          1HA       GLY  41  42.986   2.805  -3.374
  310   2HA   GLY  41          2HA       GLY  41  41.459   3.057  -2.525
  311    H    GLU  42           H        GLU  42  43.248   2.102  -0.069
  312    HA   GLU  42           HA       GLU  42  43.658   4.763   0.973
  313   1HB   GLU  42          1HB       GLU  42  43.178   2.892   2.473
  314   2HB   GLU  42          2HB       GLU  42  44.658   2.077   1.963
  315   1HG   GLU  42          1HG       GLU  42  45.141   3.188   4.047
  316   2HG   GLU  42          2HG       GLU  42  45.941   4.100   2.767
  317    H    LYS  43           H        LYS  43  45.998   2.175   0.160
  318    HA   LYS  43           HA       LYS  43  48.330   2.348  -0.175
  319   1HB   LYS  43          1HB       LYS  43  48.859   3.893  -2.075
  320   2HB   LYS  43          2HB       LYS  43  47.480   2.841  -2.400
  321   1HG   LYS  43          1HG       LYS  43  45.924   4.630  -1.853
  322   2HG   LYS  43          2HG       LYS  43  47.254   5.683  -1.370
  323   1HD   LYS  43          1HD       LYS  43  47.774   4.687  -4.012
  324   2HD   LYS  43          2HD       LYS  43  46.144   5.362  -3.965
  325   1HE   LYS  43          1HE       LYS  43  48.498   6.842  -2.790
  326   2HE   LYS  43          2HE       LYS  43  48.065   6.994  -4.492
  327   1HZ   LYS  43          1HZ       LYS  43  45.753   7.240  -2.902
  328   2HZ   LYS  43          2HZ       LYS  43  46.937   8.316  -2.329
  329   3HZ   LYS  43          3HZ       LYS  43  46.444   8.378  -3.953
  Start of MODEL    3
    1   1H    ACE   1           HA1      ACE   1  31.755  -5.325  -9.597
    2   2H    ACE   1           HA2      ACE   1  32.137  -3.638  -9.251
    3   3H    ACE   1           HA3      ACE   1  30.751  -4.038 -10.266
    4    H    ARG   2           H        ARG   2  31.223  -2.719  -7.449
    5    HA   ARG   2           HA       ARG   2  29.217  -4.376  -5.979
    6   1HB   ARG   2          1HB       ARG   2  31.615  -3.555  -5.053
    7   2HB   ARG   2          2HB       ARG   2  30.641  -2.154  -4.604
    8   1HG   ARG   2          1HG       ARG   2  30.673  -3.834  -2.791
    9   2HG   ARG   2          2HG       ARG   2  29.046  -3.626  -3.438
   10   1HD   ARG   2          1HD       ARG   2  29.940  -6.050  -3.087
   11   2HD   ARG   2          2HD       ARG   2  29.107  -5.671  -4.594
   12    HE   ARG   2           HE       ARG   2  31.237  -5.703  -5.736
   13   1HH1  ARG   2          1HH1      ARG   2  32.605  -4.728  -3.066
   14   2HH1  ARG   2          2HH1      ARG   2  33.675  -6.064  -2.799
   15   1HH2  ARG   2          1HH2      ARG   2  32.093  -8.131  -5.089
   16   2HH2  ARG   2          2HH2      ARG   2  33.382  -7.991  -3.941
   17    H    TYR   3           H        TYR   3  30.114  -0.907  -6.175
   18    HA   TYR   3           HA       TYR   3  27.470  -0.145  -7.080
   19   1HB   TYR   3          1HB       TYR   3  28.108  -0.105  -4.171
   20   2HB   TYR   3          2HB       TYR   3  27.253   1.294  -4.823
   21    HD1  TYR   3           HD1      TYR   3  25.630   0.096  -6.966
   22    HD2  TYR   3           HD2      TYR   3  26.479  -1.347  -3.011
   23    HE1  TYR   3           HE1      TYR   3  23.521  -1.205  -6.991
   24    HE2  TYR   3           HE2      TYR   3  24.367  -2.647  -3.033
   25    HH   TYR   3           HH       TYR   3  22.320  -2.805  -4.122
   26    HA   PRO   4           HA       PRO   4  30.844   2.969  -7.744
   27   1HB   PRO   4          1HB       PRO   4  31.115   2.553 -10.424
   28   2HB   PRO   4          2HB       PRO   4  32.022   1.638  -9.208
   29   1HG   PRO   4          1HG       PRO   4  29.843   0.749 -10.951
   30   2HG   PRO   4          2HG       PRO   4  31.022  -0.211 -10.045
   31   1HD   PRO   4          1HD       PRO   4  28.280   0.352  -9.350
   32   2HD   PRO   4          2HD       PRO   4  29.450  -0.652  -8.477
   33    H    TYR   5           H        TYR   5  27.898   2.175  -9.521
   34    HA   TYR   5           HA       TYR   5  27.689   4.914 -10.582
   35   1HB   TYR   5          1HB       TYR   5  25.549   4.037 -11.586
   36   2HB   TYR   5          2HB       TYR   5  26.996   3.166 -12.085
   37    HD1  TYR   5           HD1      TYR   5  23.927   3.026 -10.054
   38    HD2  TYR   5           HD2      TYR   5  27.449   0.902 -11.292
   39    HE1  TYR   5           HE1      TYR   5  22.952   0.912  -9.200
   40    HE2  TYR   5           HE2      TYR   5  26.476  -1.212 -10.434
   41    HH   TYR   5           HH       TYR   5  24.055  -2.084 -10.017
   42    H    TYR   6           H        TYR   6  25.829   2.790  -8.392
   43    HA   TYR   6           HA       TYR   6  23.846   4.704  -7.684
   44   1HB   TYR   6          1HB       TYR   6  24.454   2.083  -6.945
   45   2HB   TYR   6          2HB       TYR   6  24.629   2.999  -5.448
   46    HD1  TYR   6           HD1      TYR   6  22.709   4.843  -5.078
   47    HD2  TYR   6           HD2      TYR   6  22.323   1.305  -7.483
   48    HE1  TYR   6           HE1      TYR   6  20.241   4.960  -4.855
   49    HE2  TYR   6           HE2      TYR   6  19.856   1.421  -7.259
   50    HH   TYR   6           HH       TYR   6  18.196   3.933  -6.529
   51    H    LEU   7           H        LEU   7  26.954   3.933  -6.099
   52    HA   LEU   7           HA       LEU   7  26.722   5.898  -4.032
   53   1HB   LEU   7          1HB       LEU   7  28.492   3.915  -4.558
   54   2HB   LEU   7          2HB       LEU   7  29.432   5.312  -5.087
   55    HG   LEU   7           HG       LEU   7  29.891   4.959  -2.736
   56   1HD1  LEU   7          1HD1      LEU   7  29.463   7.319  -3.628
   57   2HD1  LEU   7          2HD1      LEU   7  27.877   7.212  -2.864
   58   3HD1  LEU   7          3HD1      LEU   7  29.337   7.118  -1.881
   59   1HD2  LEU   7          1HD2      LEU   7  26.950   4.544  -2.664
   60   2HD2  LEU   7          2HD2      LEU   7  28.218   3.769  -1.715
   61   3HD2  LEU   7          3HD2      LEU   7  27.644   5.378  -1.274
   62    H    SER   8           H        SER   8  28.176   6.033  -7.276
   63    HA   SER   8           HA       SER   8  28.985   8.821  -6.923
   64   1HB   SER   8          1HB       SER   8  29.825   6.792  -8.574
   65   2HB   SER   8          2HB       SER   8  28.853   7.771  -9.670
   66    HG   SER   8           HG       SER   8  30.534   9.025  -9.719
   67    H    ASP   9           H        ASP   9  26.003   7.802  -6.961
   68    HA   ASP   9           HA       ASP   9  24.978   9.389  -9.214
   69   1HB   ASP   9          1HB       ASP   9  23.730   7.563  -7.170
   70   2HB   ASP   9          2HB       ASP   9  22.729   8.633  -8.152
   71    H    ILE  10           H        ILE  10  22.915   9.528  -6.503
   72    HA   ILE  10           HA       ILE  10  23.458  12.416  -6.268
   73    HB   ILE  10           HB       ILE  10  21.122  11.099  -6.440
   74   1HG1  ILE  10          1HG1      ILE  10  21.513  13.557  -6.505
   75   2HG1  ILE  10          2HG1      ILE  10  20.068  13.133  -5.587
   76   1HG2  ILE  10          1HG2      ILE  10  21.593  11.432  -3.463
   77   2HG2  ILE  10          2HG2      ILE  10  20.045  11.039  -4.212
   78   3HG2  ILE  10          3HG2      ILE  10  21.388   9.900  -4.314
   79   1HD1  ILE  10          1HD1      ILE  10  22.055  13.044  -3.667
   80   2HD1  ILE  10          2HD1      ILE  10  22.549  14.404  -4.676
   81   3HD1  ILE  10          3HD1      ILE  10  20.952  14.395  -3.928
   82    H    THR  11           H        THR  11  23.471   9.502  -4.280
   83    HA   THR  11           HA       THR  11  23.994  10.816  -1.781
   84    HB   THR  11           HB       THR  11  24.741   8.544  -1.036
   85    HG1  THR  11           HG1      THR  11  25.435   8.192  -3.406
   86   1HG2  THR  11          1HG2      THR  11  22.256   9.391  -1.466
   87   2HG2  THR  11          2HG2      THR  11  22.282   8.108  -2.677
   88   3HG2  THR  11          3HG2      THR  11  22.581   7.726  -0.981
   89    H    ASP  12           H        ASP  12  25.959  10.751  -4.471
   90    HA   ASP  12           HA       ASP  12  28.508  10.212  -3.194
   91   1HB   ASP  12          1HB       ASP  12  27.710  10.373  -5.787
   92   2HB   ASP  12          2HB       ASP  12  28.461  11.956  -5.588
   93    H    ALA  13           H        ALA  13  26.621  13.146  -3.865
   94    HA   ALA  13           HA       ALA  13  28.724  14.741  -2.494
   95   1HB   ALA  13          1HB       ALA  13  26.459  15.498  -4.344
   96   2HB   ALA  13          2HB       ALA  13  27.348  16.700  -3.409
   97   3HB   ALA  13          3HB       ALA  13  28.190  15.713  -4.603
   98    H    PHE  14           H        PHE  14  26.180  13.040  -1.514
   99    HA   PHE  14           HA       PHE  14  24.852  15.136   0.074
  100   1HB   PHE  14          1HB       PHE  14  24.220  12.437  -0.800
  101   2HB   PHE  14          2HB       PHE  14  23.918  12.643   0.924
  102    HD1  PHE  14           HD1      PHE  14  23.563  14.810  -2.129
  103    HD2  PHE  14           HD2      PHE  14  21.722  13.212   1.408
  104    HE1  PHE  14           HE1      PHE  14  21.489  16.073  -2.638
  105    HE2  PHE  14           HE2      PHE  14  19.648  14.474   0.900
  106    HZ   PHE  14           HZ       PHE  14  19.532  15.906  -1.123
  107    H    SER  15           H        SER  15  25.804  11.907   1.158
  108    HA   SER  15           HA       SER  15  27.588  13.078   3.211
  109   1HB   SER  15          1HB       SER  15  25.107  12.783   4.010
  110   2HB   SER  15          2HB       SER  15  25.524  11.071   4.071
  111    HG   SER  15           HG       SER  15  26.214  13.091   5.745
  112    HA   PRO  16           HA       PRO  16  29.216   9.125   1.474
  113   1HB   PRO  16          1HB       PRO  16  31.489  10.203   0.426
  114   2HB   PRO  16          2HB       PRO  16  29.957  10.123  -0.461
  115   1HG   PRO  16          1HG       PRO  16  31.329  12.454   0.662
  116   2HG   PRO  16          2HG       PRO  16  30.041  12.381  -0.550
  117   1HD   PRO  16          1HD       PRO  16  29.807  13.003   2.256
  118   2HD   PRO  16          2HD       PRO  16  28.532  12.983   1.026
  119    H    GLN  17           H        GLN  17  31.289  11.740   2.806
  120    HA   GLN  17           HA       GLN  17  33.222  10.037   3.987
  121   1HB   GLN  17          1HB       GLN  17  33.864  11.947   5.317
  122   2HB   GLN  17          2HB       GLN  17  33.376  12.548   3.733
  123   1HG   GLN  17          1HG       GLN  17  31.340  13.394   4.538
  124   2HG   GLN  17          2HG       GLN  17  31.366  12.365   5.969
  125   1HE2  GLN  17          2HE2      GLN  17  31.315  14.042   7.556
  126   2HE2  GLN  17          1HE2      GLN  17  32.565  15.175   7.740
  127    H    VAL  18           H        VAL  18  29.961  10.706   4.880
  128    HA   VAL  18           HA       VAL  18  30.328   9.760   7.655
  129    HB   VAL  18           HB       VAL  18  28.070  10.933   6.058
  130   1HG1  VAL  18          1HG1      VAL  18  27.111   8.948   7.208
  131   2HG1  VAL  18          2HG1      VAL  18  27.754   9.542   8.739
  132   3HG1  VAL  18          3HG1      VAL  18  26.505  10.456   7.894
  133   1HG2  VAL  18          1HG2      VAL  18  29.280  11.516   8.777
  134   2HG2  VAL  18          2HG2      VAL  18  29.598  12.408   7.289
  135   3HG2  VAL  18          3HG2      VAL  18  27.992  12.450   8.016
  136    H    LEU  19           H        LEU  19  28.292   8.766   4.852
  137    HA   LEU  19           HA       LEU  19  27.381   6.324   5.858
  138   1HB   LEU  19          1HB       LEU  19  28.233   7.120   3.067
  139   2HB   LEU  19          2HB       LEU  19  27.575   5.519   3.411
  140    HG   LEU  19           HG       LEU  19  26.135   8.016   4.299
  141   1HD1  LEU  19          1HD1      LEU  19  26.700   7.550   1.653
  142   2HD1  LEU  19          2HD1      LEU  19  25.170   6.696   1.845
  143   3HD1  LEU  19          3HD1      LEU  19  25.275   8.413   2.232
  144   1HD2  LEU  19          1HD2      LEU  19  25.427   5.115   3.820
  145   2HD2  LEU  19          2HD2      LEU  19  25.275   6.042   5.313
  146   3HD2  LEU  19          3HD2      LEU  19  24.187   6.362   3.962
  147    H    ALA  20           H        ALA  20  30.482   6.965   4.224
  148    HA   ALA  20           HA       ALA  20  31.528   4.326   4.395
  149   1HB   ALA  20          1HB       ALA  20  32.547   6.224   3.089
  150   2HB   ALA  20          2HB       ALA  20  33.093   6.914   4.618
  151   3HB   ALA  20          3HB       ALA  20  33.709   5.349   4.086
  152    H    ALA  21           H        ALA  21  32.116   7.111   6.555
  153    HA   ALA  21           HA       ALA  21  33.628   6.029   8.560
  154   1HB   ALA  21          1HB       ALA  21  31.600   8.089   8.371
  155   2HB   ALA  21          2HB       ALA  21  31.463   7.265   9.924
  156   3HB   ALA  21          3HB       ALA  21  32.989   8.017   9.456
  157    H    VAL  22           H        VAL  22  30.139   5.656   8.267
  158    HA   VAL  22           HA       VAL  22  29.678   3.942  10.469
  159    HB   VAL  22           HB       VAL  22  28.276   4.337   7.826
  160   1HG1  VAL  22          1HG1      VAL  22  27.835   2.234   9.890
  161   2HG1  VAL  22          2HG1      VAL  22  26.402   3.068   9.288
  162   3HG1  VAL  22          3HG1      VAL  22  27.462   2.216   8.165
  163   1HG2  VAL  22          1HG2      VAL  22  28.066   5.315  10.625
  164   2HG2  VAL  22          2HG2      VAL  22  27.717   6.150   9.111
  165   3HG2  VAL  22          3HG2      VAL  22  26.542   5.020   9.787
  166    H    ILE  23           H        ILE  23  29.774   2.814   7.056
  167    HA   ILE  23           HA       ILE  23  30.174   0.069   7.874
  168    HB   ILE  23           HB       ILE  23  31.034   0.006   5.302
  169   1HG1  ILE  23          1HG1      ILE  23  29.101   2.337   5.386
  170   2HG1  ILE  23          2HG1      ILE  23  30.847   2.544   5.232
  171   1HG2  ILE  23          1HG2      ILE  23  29.104  -1.197   6.272
  172   2HG2  ILE  23          2HG2      ILE  23  28.149   0.284   6.195
  173   3HG2  ILE  23          3HG2      ILE  23  28.702  -0.487   4.708
  174   1HD1  ILE  23          1HD1      ILE  23  29.695   0.569   3.374
  175   2HD1  ILE  23          2HD1      ILE  23  29.131   2.221   3.119
  176   3HD1  ILE  23          3HD1      ILE  23  30.857   1.860   3.067
  177    H    PHE  24           H        PHE  24  32.423   2.332   6.282
  178    HA   PHE  24           HA       PHE  24  34.763   1.076   6.032
  179   1HB   PHE  24          1HB       PHE  24  34.160   3.701   6.308
  180   2HB   PHE  24          2HB       PHE  24  34.999   3.448   7.837
  181    HD1  PHE  24           HD1      PHE  24  35.397   2.505   4.214
  182    HD2  PHE  24           HD2      PHE  24  37.297   3.792   7.846
  183    HE1  PHE  24           HE1      PHE  24  37.577   2.619   3.035
  184    HE2  PHE  24           HE2      PHE  24  39.475   3.906   6.666
  185    HZ   PHE  24           HZ       PHE  24  39.615   3.322   4.261
  186    H    ILE  25           H        ILE  25  33.320   1.842   9.173
  187    HA   ILE  25           HA       ILE  25  35.538   0.613  10.643
  188    HB   ILE  25           HB       ILE  25  32.800   1.634  11.427
  189   1HG1  ILE  25          1HG1      ILE  25  35.478   2.428  12.556
  190   2HG1  ILE  25          2HG1      ILE  25  34.935   3.081  11.009
  191   1HG2  ILE  25          1HG2      ILE  25  34.672  -0.137  12.948
  192   2HG2  ILE  25          2HG2      ILE  25  33.861   1.160  13.826
  193   3HG2  ILE  25          3HG2      ILE  25  32.910  -0.070  12.991
  194   1HD1  ILE  25          1HD1      ILE  25  32.692   3.414  12.538
  195   2HD1  ILE  25          2HD1      ILE  25  33.962   3.650  13.738
  196   3HD1  ILE  25          3HD1      ILE  25  33.916   4.660  12.293
  197    H    TYR  26           H        TYR  26  32.099  -0.319  10.088
  198    HA   TYR  26           HA       TYR  26  32.413  -2.969  11.151
  199   1HB   TYR  26          1HB       TYR  26  30.303  -1.500  10.123
  200   2HB   TYR  26          2HB       TYR  26  30.555  -2.721   8.876
  201    HD1  TYR  26           HD1      TYR  26  29.883  -2.204  12.491
  202    HD2  TYR  26           HD2      TYR  26  30.037  -5.024   9.255
  203    HE1  TYR  26           HE1      TYR  26  28.762  -3.898  13.914
  204    HE2  TYR  26           HE2      TYR  26  28.915  -6.718  10.678
  205    HH   TYR  26           HH       TYR  26  28.436  -7.229  12.889
  206    H    PHE  27           H        PHE  27  32.083  -2.026   7.740
  207    HA   PHE  27           HA       PHE  27  32.978  -4.228   6.381
  208   1HB   PHE  27          1HB       PHE  27  32.881  -1.385   5.910
  209   2HB   PHE  27          2HB       PHE  27  34.394  -2.016   5.262
  210    HD1  PHE  27           HD1      PHE  27  30.908  -3.405   5.519
  211    HD2  PHE  27           HD2      PHE  27  34.220  -2.391   2.981
  212    HE1  PHE  27           HE1      PHE  27  29.684  -4.309   3.560
  213    HE2  PHE  27           HE2      PHE  27  32.998  -3.297   1.022
  214    HZ   PHE  27           HZ       PHE  27  30.730  -4.255   1.312
  215    H    ALA  28           H        ALA  28  35.001  -1.815   8.032
  216    HA   ALA  28           HA       ALA  28  37.558  -2.695   7.271
  217   1HB   ALA  28          1HB       ALA  28  36.391  -1.219   9.547
  218   2HB   ALA  28          2HB       ALA  28  37.945  -1.980   9.881
  219   3HB   ALA  28          3HB       ALA  28  37.794  -0.826   8.555
  220    H    ALA  29           H        ALA  29  35.702  -3.731  10.116
  221    HA   ALA  29           HA       ALA  29  37.518  -5.549  11.209
  222   1HB   ALA  29          1HB       ALA  29  35.249  -4.833  12.123
  223   2HB   ALA  29          2HB       ALA  29  34.543  -6.058  11.070
  224   3HB   ALA  29          3HB       ALA  29  35.665  -6.533  12.346
  225    H    LEU  30           H        LEU  30  34.860  -6.421   8.988
  226    HA   LEU  30           HA       LEU  30  36.363  -8.908   8.357
  227   1HB   LEU  30          1HB       LEU  30  33.464  -8.304   7.741
  228   2HB   LEU  30          2HB       LEU  30  34.264  -9.876   7.690
  229    HG   LEU  30           HG       LEU  30  34.827  -9.105  10.243
  230   1HD1  LEU  30          1HD1      LEU  30  32.872  -7.279   9.379
  231   2HD1  LEU  30          2HD1      LEU  30  32.004  -8.448  10.374
  232   3HD1  LEU  30          3HD1      LEU  30  33.381  -7.572  11.043
  233   1HD2  LEU  30          1HD2      LEU  30  33.756 -11.237   9.275
  234   2HD2  LEU  30          2HD2      LEU  30  33.251 -10.764  10.898
  235   3HD2  LEU  30          3HD2      LEU  30  32.208 -10.429   9.516
  236    H    SER  31           H        SER  31  37.168  -6.449   7.099
  237    HA   SER  31           HA       SER  31  36.020  -6.611   4.394
  238   1HB   SER  31          1HB       SER  31  36.450  -4.410   4.454
  239   2HB   SER  31          2HB       SER  31  37.423  -4.586   5.911
  240    HG   SER  31           HG       SER  31  38.460  -3.844   3.842
  241    HA   PRO  32           HA       PRO  32  40.515  -7.973   3.442
  242   1HB   PRO  32          1HB       PRO  32  42.428  -7.574   5.341
  243   2HB   PRO  32          2HB       PRO  32  41.874  -6.300   4.242
  244   1HG   PRO  32          1HG       PRO  32  41.467  -6.536   7.114
  245   2HG   PRO  32          2HG       PRO  32  41.153  -5.154   6.052
  246   1HD   PRO  32          1HD       PRO  32  39.268  -7.143   7.079
  247   2HD   PRO  32          2HD       PRO  32  38.935  -5.600   6.282
  248    H    ALA  33           H        ALA  33  39.277  -8.914   6.549
  249    HA   ALA  33           HA       ALA  33  41.068 -11.022   7.191
  250   1HB   ALA  33          1HB       ALA  33  39.004  -9.973   8.490
  251   2HB   ALA  33          2HB       ALA  33  38.151 -11.338   7.768
  252   3HB   ALA  33          3HB       ALA  33  39.540 -11.621   8.818
  253    H    ILE  34           H        ILE  34  37.984 -11.195   5.368
  254    HA   ILE  34           HA       ILE  34  38.361 -14.016   4.785
  255    HB   ILE  34           HB       ILE  34  36.115 -13.039   4.906
  256   1HG1  ILE  34          1HG1      ILE  34  35.759 -13.619   2.176
  257   2HG1  ILE  34          2HG1      ILE  34  37.161 -14.568   2.673
  258   1HG2  ILE  34          1HG2      ILE  34  36.885 -10.808   3.925
  259   2HG2  ILE  34          2HG2      ILE  34  36.776 -11.575   2.342
  260   3HG2  ILE  34          3HG2      ILE  34  35.333 -11.408   3.342
  261   1HD1  ILE  34          1HD1      ILE  34  35.667 -15.151   4.760
  262   2HD1  ILE  34          2HD1      ILE  34  34.340 -14.681   3.697
  263   3HD1  ILE  34          3HD1      ILE  34  35.412 -16.005   3.238
  264    H    THR  35           H        THR  35  38.897 -11.015   2.937
  265    HA   THR  35           HA       THR  35  39.799 -12.596   0.621
  266    HB   THR  35           HB       THR  35  38.426 -10.468   0.418
  267    HG1  THR  35           HG1      THR  35  39.352 -10.137  -1.468
  268   1HG2  THR  35          1HG2      THR  35  41.086  -9.279   1.243
  269   2HG2  THR  35          2HG2      THR  35  39.768  -8.359   0.517
  270   3HG2  THR  35          3HG2      THR  35  39.549  -9.121   2.093
  271    H    PHE  36           H        PHE  36  41.355 -12.616   3.186
  272    HA   PHE  36           HA       PHE  36  43.797 -11.130   2.455
  273   1HB   PHE  36          1HB       PHE  36  42.784 -11.644   4.884
  274   2HB   PHE  36          2HB       PHE  36  43.798 -13.076   4.715
  275    HD1  PHE  36           HD1      PHE  36  43.809  -9.361   4.686
  276    HD2  PHE  36           HD2      PHE  36  46.191 -12.935   4.791
  277    HE1  PHE  36           HE1      PHE  36  45.819  -8.007   5.211
  278    HE2  PHE  36           HE2      PHE  36  48.201 -11.579   5.318
  279    HZ   PHE  36           HZ       PHE  36  48.014  -9.115   5.527
  280    H    GLY  37           H        GLY  37  44.851 -12.112   0.751
  281   1HA   GLY  37          1HA       GLY  37  46.633 -13.947   0.566
  282   2HA   GLY  37          2HA       GLY  37  45.325 -15.060   0.962
  283    H    GLY  38           H        GLY  38  46.979 -13.567  -1.580
  284   1HA   GLY  38          1HA       GLY  38  46.503 -14.590  -3.821
  285   2HA   GLY  38          2HA       GLY  38  44.793 -14.330  -3.477
  286    H    LEU  39           H        LEU  39  45.056 -11.688  -2.364
  287    HA   LEU  39           HA       LEU  39  44.791 -10.070  -4.641
  288   1HB   LEU  39          1HB       LEU  39  45.308  -8.145  -3.066
  289   2HB   LEU  39          2HB       LEU  39  44.034  -9.234  -2.518
  290    HG   LEU  39           HG       LEU  39  46.354 -10.407  -1.537
  291   1HD1  LEU  39          1HD1      LEU  39  46.688  -7.481  -1.821
  292   2HD1  LEU  39          2HD1      LEU  39  47.032  -8.116  -0.211
  293   3HD1  LEU  39          3HD1      LEU  39  47.907  -8.739  -1.610
  294   1HD2  LEU  39          1HD2      LEU  39  44.169  -8.683  -0.404
  295   2HD2  LEU  39          2HD2      LEU  39  44.468 -10.404  -0.160
  296   3HD2  LEU  39          3HD2      LEU  39  45.486  -9.209   0.644
  297    H    LEU  40           H        LEU  40  46.305  -9.730  -6.192
  298    HA   LEU  40           HA       LEU  40  49.170  -9.599  -5.376
  299   1HB   LEU  40          1HB       LEU  40  47.850 -10.865  -7.532
  300   2HB   LEU  40          2HB       LEU  40  48.746  -9.519  -8.236
  301    HG   LEU  40           HG       LEU  40  50.277 -10.967  -6.197
  302   1HD1  LEU  40          1HD1      LEU  40  48.885 -12.814  -7.231
  303   2HD1  LEU  40          2HD1      LEU  40  49.632 -12.417  -8.778
  304   3HD1  LEU  40          3HD1      LEU  40  50.626 -13.000  -7.443
  305   1HD2  LEU  40          1HD2      LEU  40  50.934  -9.235  -8.068
  306   2HD2  LEU  40          2HD2      LEU  40  52.036 -10.554  -7.676
  307   3HD2  LEU  40          3HD2      LEU  40  50.998 -10.665  -9.098
  308    H    GLY  41           H        GLY  41  46.869  -7.461  -5.406
  309   1HA   GLY  41          1HA       GLY  41  47.969  -5.085  -5.383
  310   2HA   GLY  41          2HA       GLY  41  48.235  -5.419  -7.097
  311    H    GLU  42           H        GLU  42  46.261  -3.703  -5.203
  312    HA   GLU  42           HA       GLU  42  43.645  -4.473  -6.198
  313   1HB   GLU  42          1HB       GLU  42  44.660  -2.698  -4.244
  314   2HB   GLU  42          2HB       GLU  42  43.759  -1.706  -5.391
  315   1HG   GLU  42          1HG       GLU  42  41.752  -2.831  -4.994
  316   2HG   GLU  42          2HG       GLU  42  42.565  -4.283  -4.410
  317    H    LYS  43           H        LYS  43  45.550  -1.488  -6.814
  318    HA   LYS  43           HA       LYS  43  44.901  -1.674  -9.679
  319   1HB   LYS  43          1HB       LYS  43  42.897  -0.584  -8.750
  320   2HB   LYS  43          2HB       LYS  43  43.912   0.635  -7.978
  321   1HG   LYS  43          1HG       LYS  43  43.339   1.744  -9.935
  322   2HG   LYS  43          2HG       LYS  43  44.837   0.957 -10.437
  323   1HD   LYS  43          1HD       LYS  43  43.270  -1.025 -11.116
  324   2HD   LYS  43          2HD       LYS  43  42.000   0.199 -11.083
  325   1HE   LYS  43          1HE       LYS  43  43.115   1.527 -12.739
  326   2HE   LYS  43          2HE       LYS  43  44.580   0.551 -12.624
  327   1HZ   LYS  43          1HZ       LYS  43  42.548  -1.219 -13.176
  328   2HZ   LYS  43          2HZ       LYS  43  42.255   0.112 -14.191
  329   3HZ   LYS  43          3HZ       LYS  43  43.752  -0.682 -14.248
  Start of MODEL    4
    1   1H    ACE   1           HA1      ACE   1  25.600  -7.987  -8.251
    2   2H    ACE   1           HA2      ACE   1  27.167  -7.660  -7.509
    3   3H    ACE   1           HA3      ACE   1  26.085  -6.326  -7.911
    4    H    ARG   2           H        ARG   2  26.898  -6.291  -5.370
    5    HA   ARG   2           HA       ARG   2  24.731  -7.608  -3.787
    6   1HB   ARG   2          1HB       ARG   2  27.459  -7.638  -3.361
    7   2HB   ARG   2          2HB       ARG   2  26.920  -6.343  -2.290
    8   1HG   ARG   2          1HG       ARG   2  26.716  -8.287  -0.963
    9   2HG   ARG   2          2HG       ARG   2  25.076  -7.999  -1.545
   10   1HD   ARG   2          1HD       ARG   2  25.526 -10.337  -1.871
   11   2HD   ARG   2          2HD       ARG   2  25.591  -9.579  -3.462
   12    HE   ARG   2           HE       ARG   2  28.027  -9.763  -3.388
   13   1HH1  ARG   2          1HH1      ARG   2  27.812  -9.872  -0.233
   14   2HH1  ARG   2          2HH1      ARG   2  28.451 -11.460   0.029
   15   1HH2  ARG   2          1HH2      ARG   2  28.202 -12.401  -3.299
   16   2HH2  ARG   2          2HH2      ARG   2  28.676 -12.890  -1.707
   17    H    TYR   3           H        TYR   3  26.732  -4.680  -3.296
   18    HA   TYR   3           HA       TYR   3  24.569  -2.824  -3.629
   19   1HB   TYR   3          1HB       TYR   3  24.481  -4.274  -1.206
   20   2HB   TYR   3          2HB       TYR   3  25.103  -2.680  -0.786
   21    HD1  TYR   3           HD1      TYR   3  22.809  -3.443  -3.614
   22    HD2  TYR   3           HD2      TYR   3  23.195  -1.772   0.325
   23    HE1  TYR   3           HE1      TYR   3  20.521  -2.505  -3.786
   24    HE2  TYR   3           HE2      TYR   3  20.908  -0.834   0.152
   25    HH   TYR   3           HH       TYR   3  19.317  -0.356  -2.546
   26    HA   PRO   4           HA       PRO   4  28.876  -1.067  -3.074
   27   1HB   PRO   4          1HB       PRO   4  29.704  -1.105  -5.671
   28   2HB   PRO   4          2HB       PRO   4  29.955  -2.461  -4.559
   29   1HG   PRO   4          1HG       PRO   4  28.196  -2.293  -6.876
   30   2HG   PRO   4          2HG       PRO   4  28.676  -3.714  -5.936
   31   1HD   PRO   4          1HD       PRO   4  26.208  -2.167  -5.771
   32   2HD   PRO   4          2HD       PRO   4  26.598  -3.728  -5.031
   33    H    TYR   5           H        TYR   5  27.281  -0.523  -6.230
   34    HA   TYR   5           HA       TYR   5  27.739   2.350  -6.064
   35   1HB   TYR   5          1HB       TYR   5  27.817   1.295  -8.234
   36   2HB   TYR   5          2HB       TYR   5  26.206   0.611  -8.013
   37    HD1  TYR   5           HD1      TYR   5  28.104   3.760  -8.506
   38    HD2  TYR   5           HD2      TYR   5  24.225   1.919  -8.377
   39    HE1  TYR   5           HE1      TYR   5  27.098   5.811  -9.472
   40    HE2  TYR   5           HE2      TYR   5  23.220   3.970  -9.341
   41    HH   TYR   5           HH       TYR   5  23.797   5.897 -10.564
   42    H    TYR   6           H        TYR   6  25.140   0.185  -5.242
   43    HA   TYR   6           HA       TYR   6  23.037   2.186  -5.293
   44   1HB   TYR   6          1HB       TYR   6  23.278  -0.563  -4.064
   45   2HB   TYR   6          2HB       TYR   6  21.836   0.431  -3.860
   46    HD1  TYR   6           HD1      TYR   6  20.780   1.412  -6.037
   47    HD2  TYR   6           HD2      TYR   6  23.507  -1.905  -5.975
   48    HE1  TYR   6           HE1      TYR   6  19.979   0.714  -8.277
   49    HE2  TYR   6           HE2      TYR   6  22.707  -2.605  -8.216
   50    HH   TYR   6           HH       TYR   6  20.008  -0.936  -9.804
   51    H    LEU   7           H        LEU   7  25.017   0.758  -2.682
   52    HA   LEU   7           HA       LEU   7  23.785   2.526  -0.694
   53   1HB   LEU   7          1HB       LEU   7  24.967   0.075  -0.534
   54   2HB   LEU   7          2HB       LEU   7  26.285   1.119   0.000
   55    HG   LEU   7           HG       LEU   7  24.630   2.222   1.578
   56   1HD1  LEU   7          1HD1      LEU   7  22.778   0.774   0.102
   57   2HD1  LEU   7          2HD1      LEU   7  22.902  -0.143   1.603
   58   3HD1  LEU   7          3HD1      LEU   7  22.465   1.565   1.646
   59   1HD2  LEU   7          1HD2      LEU   7  26.299   0.361   2.159
   60   2HD2  LEU   7          2HD2      LEU   7  24.937   0.561   3.262
   61   3HD2  LEU   7          3HD2      LEU   7  24.928  -0.746   2.079
   62    H    SER   8           H        SER   8  26.907   2.258  -2.354
   63    HA   SER   8           HA       SER   8  27.991   4.584  -0.944
   64   1HB   SER   8          1HB       SER   8  29.360   2.599  -1.736
   65   2HB   SER   8          2HB       SER   8  29.134   3.196  -3.376
   66    HG   SER   8           HG       SER   8  31.064   3.983  -2.437
   67    H    ASP   9           H        ASP   9  25.551   4.845  -2.743
   68    HA   ASP   9           HA       ASP   9  26.572   6.542  -4.922
   69   1HB   ASP   9          1HB       ASP   9  24.135   5.089  -4.371
   70   2HB   ASP   9          2HB       ASP   9  23.765   6.769  -4.756
   71    H    ILE  10           H        ILE  10  23.983   7.081  -2.502
   72    HA   ILE  10           HA       ILE  10  24.613   9.958  -2.552
   73    HB   ILE  10           HB       ILE  10  22.502   8.573  -0.886
   74   1HG1  ILE  10          1HG1      ILE  10  22.386   8.001  -3.367
   75   2HG1  ILE  10          2HG1      ILE  10  20.965   8.819  -2.717
   76   1HG2  ILE  10          1HG2      ILE  10  23.276  11.343  -1.517
   77   2HG2  ILE  10          2HG2      ILE  10  21.556  11.014  -1.728
   78   3HG2  ILE  10          3HG2      ILE  10  22.325  10.719  -0.169
   79   1HD1  ILE  10          1HD1      ILE  10  23.221  10.387  -3.957
   80   2HD1  ILE  10          2HD1      ILE  10  21.941   9.694  -4.953
   81   3HD1  ILE  10          3HD1      ILE  10  21.546  10.879  -3.708
   82    H    THR  11           H        THR  11  25.099   7.195  -0.477
   83    HA   THR  11           HA       THR  11  25.517   8.595   1.988
   84    HB   THR  11           HB       THR  11  25.242   6.072   1.635
   85    HG1  THR  11           HG1      THR  11  27.525   6.556   3.167
   86   1HG2  THR  11          1HG2      THR  11  27.022   5.943  -0.126
   87   2HG2  THR  11          2HG2      THR  11  28.222   6.253   1.128
   88   3HG2  THR  11          3HG2      THR  11  27.245   4.786   1.186
   89    H    ASP  12           H        ASP  12  27.633   7.960  -0.769
   90    HA   ASP  12           HA       ASP  12  30.054   8.792   0.603
   91   1HB   ASP  12          1HB       ASP  12  29.905   7.330  -1.496
   92   2HB   ASP  12          2HB       ASP  12  29.605   8.824  -2.386
   93    H    ALA  13           H        ALA  13  27.372  10.511  -0.412
   94    HA   ALA  13           HA       ALA  13  28.803  12.907  -1.311
   95   1HB   ALA  13          1HB       ALA  13  26.334  12.019  -1.873
   96   2HB   ALA  13          2HB       ALA  13  25.940  13.039  -0.490
   97   3HB   ALA  13          3HB       ALA  13  26.737  13.735  -1.901
   98    H    PHE  14           H        PHE  14  26.569  12.257   1.415
   99    HA   PHE  14           HA       PHE  14  27.558  14.612   2.835
  100   1HB   PHE  14          1HB       PHE  14  25.652  12.408   3.670
  101   2HB   PHE  14          2HB       PHE  14  25.984  13.857   4.617
  102    HD1  PHE  14           HD1      PHE  14  26.261  15.795   2.266
  103    HD2  PHE  14           HD2      PHE  14  23.331  12.791   3.191
  104    HE1  PHE  14           HE1      PHE  14  24.570  17.038   0.947
  105    HE2  PHE  14           HE2      PHE  14  21.640  14.036   1.872
  106    HZ   PHE  14           HZ       PHE  14  22.260  16.159   0.750
  107    H    SER  15           H        SER  15  28.993  11.735   2.345
  108    HA   SER  15           HA       SER  15  30.471  11.943   4.891
  109   1HB   SER  15          1HB       SER  15  28.529  10.221   5.030
  110   2HB   SER  15          2HB       SER  15  29.532   9.236   3.970
  111    HG   SER  15           HG       SER  15  29.901   9.986   6.624
  112    HA   PRO  16           HA       PRO  16  33.278  10.992   1.345
  113   1HB   PRO  16          1HB       PRO  16  34.516  13.420   1.275
  114   2HB   PRO  16          2HB       PRO  16  33.018  13.082   0.390
  115   1HG   PRO  16          1HG       PRO  16  33.430  14.809   2.700
  116   2HG   PRO  16          2HG       PRO  16  32.019  14.680   1.639
  117   1HD   PRO  16          1HD       PRO  16  32.435  13.492   4.274
  118   2HD   PRO  16          2HD       PRO  16  30.946  13.596   3.322
  119    H    GLN  17           H        GLN  17  34.465  13.406   3.694
  120    HA   GLN  17           HA       GLN  17  37.022  12.220   4.039
  121   1HB   GLN  17          1HB       GLN  17  36.574  14.501   4.784
  122   2HB   GLN  17          2HB       GLN  17  35.398  13.915   5.959
  123   1HG   GLN  17          1HG       GLN  17  37.008  13.194   7.415
  124   2HG   GLN  17          2HG       GLN  17  38.104  12.708   6.122
  125   1HE2  GLN  17          2HE2      GLN  17  39.460  14.401   5.135
  126   2HE2  GLN  17          1HE2      GLN  17  39.718  15.878   5.929
  127    H    VAL  18           H        VAL  18  34.084  11.927   6.016
  128    HA   VAL  18           HA       VAL  18  35.114  10.024   7.883
  129    HB   VAL  18           HB       VAL  18  32.298  10.410   6.856
  130   1HG1  VAL  18          1HG1      VAL  18  33.397   8.380   8.514
  131   2HG1  VAL  18          2HG1      VAL  18  32.465   9.454   9.558
  132   3HG1  VAL  18          3HG1      VAL  18  31.693   8.685   8.171
  133   1HG2  VAL  18          1HG2      VAL  18  33.958  12.080   8.416
  134   2HG2  VAL  18          2HG2      VAL  18  32.222  12.250   8.158
  135   3HG2  VAL  18          3HG2      VAL  18  32.822  11.337   9.542
  136    H    LEU  19           H        LEU  19  34.063   9.719   4.569
  137    HA   LEU  19           HA       LEU  19  33.422   6.943   4.546
  138   1HB   LEU  19          1HB       LEU  19  33.099   8.474   2.598
  139   2HB   LEU  19          2HB       LEU  19  34.847   8.515   2.373
  140    HG   LEU  19           HG       LEU  19  34.546   5.866   2.406
  141   1HD1  LEU  19          1HD1      LEU  19  31.914   6.622   2.611
  142   2HD1  LEU  19          2HD1      LEU  19  32.087   6.406   0.869
  143   3HD1  LEU  19          3HD1      LEU  19  32.460   5.075   1.964
  144   1HD2  LEU  19          1HD2      LEU  19  34.765   7.908   0.407
  145   2HD2  LEU  19          2HD2      LEU  19  35.344   6.243   0.335
  146   3HD2  LEU  19          3HD2      LEU  19  33.714   6.635  -0.214
  147    H    ALA  20           H        ALA  20  36.547   8.537   3.855
  148    HA   ALA  20           HA       ALA  20  38.112   6.183   3.631
  149   1HB   ALA  20          1HB       ALA  20  38.683   9.028   4.389
  150   2HB   ALA  20          2HB       ALA  20  39.952   7.819   4.592
  151   3HB   ALA  20          3HB       ALA  20  39.256   8.109   2.997
  152    H    ALA  21           H        ALA  21  37.672   8.262   6.490
  153    HA   ALA  21           HA       ALA  21  39.107   6.844   8.405
  154   1HB   ALA  21          1HB       ALA  21  37.646   9.009   8.590
  155   2HB   ALA  21          2HB       ALA  21  36.347   7.899   9.026
  156   3HB   ALA  21          3HB       ALA  21  37.806   7.982  10.015
  157    H    VAL  22           H        VAL  22  35.677   6.374   7.684
  158    HA   VAL  22           HA       VAL  22  35.195   4.144   9.325
  159    HB   VAL  22           HB       VAL  22  33.967   5.031   6.707
  160   1HG1  VAL  22          1HG1      VAL  22  33.755   2.561   6.910
  161   2HG1  VAL  22          2HG1      VAL  22  33.034   2.771   8.507
  162   3HG1  VAL  22          3HG1      VAL  22  32.197   3.371   7.075
  163   1HG2  VAL  22          1HG2      VAL  22  33.673   6.310   8.909
  164   2HG2  VAL  22          2HG2      VAL  22  32.189   5.823   8.090
  165   3HG2  VAL  22          3HG2      VAL  22  32.768   4.909   9.483
  166    H    ILE  23           H        ILE  23  36.418   4.260   5.989
  167    HA   ILE  23           HA       ILE  23  36.475   1.384   5.672
  168    HB   ILE  23           HB       ILE  23  37.991   3.560   4.208
  169   1HG1  ILE  23          1HG1      ILE  23  35.535   3.787   4.058
  170   2HG1  ILE  23          2HG1      ILE  23  36.209   3.285   2.508
  171   1HG2  ILE  23          1HG2      ILE  23  37.913   0.613   3.975
  172   2HG2  ILE  23          2HG2      ILE  23  37.679   1.479   2.457
  173   3HG2  ILE  23          3HG2      ILE  23  39.135   1.755   3.412
  174   1HD1  ILE  23          1HD1      ILE  23  35.719   0.886   3.216
  175   2HD1  ILE  23          2HD1      ILE  23  34.786   1.565   4.550
  176   3HD1  ILE  23          3HD1      ILE  23  34.304   1.885   2.884
  177    H    PHE  24           H        PHE  24  38.604   3.675   7.154
  178    HA   PHE  24           HA       PHE  24  41.045   2.178   6.958
  179   1HB   PHE  24          1HB       PHE  24  40.515   4.634   7.879
  180   2HB   PHE  24          2HB       PHE  24  40.432   3.782   9.422
  181    HD1  PHE  24           HD1      PHE  24  42.408   2.317  10.116
  182    HD2  PHE  24           HD2      PHE  24  42.601   5.116   6.862
  183    HE1  PHE  24           HE1      PHE  24  44.886   2.266  10.218
  184    HE2  PHE  24           HE2      PHE  24  45.078   5.064   6.965
  185    HZ   PHE  24           HZ       PHE  24  46.221   3.641   8.644
  186    H    ILE  25           H        ILE  25  38.584   2.343   9.552
  187    HA   ILE  25           HA       ILE  25  39.746   0.064  10.961
  188    HB   ILE  25           HB       ILE  25  36.989   1.323  11.213
  189   1HG1  ILE  25          1HG1      ILE  25  38.871   1.891  13.346
  190   2HG1  ILE  25          2HG1      ILE  25  39.523   2.411  11.792
  191   1HG2  ILE  25          1HG2      ILE  25  38.582  -0.551  12.987
  192   2HG2  ILE  25          2HG2      ILE  25  37.138   0.308  13.523
  193   3HG2  ILE  25          3HG2      ILE  25  37.027  -0.876  12.221
  194   1HD1  ILE  25          1HD1      ILE  25  36.783   3.144  11.809
  195   2HD1  ILE  25          2HD1      ILE  25  37.450   3.638  13.365
  196   3HD1  ILE  25          3HD1      ILE  25  38.183   4.215  11.868
  197    H    TYR  26           H        TYR  26  37.395   0.599   8.423
  198    HA   TYR  26           HA       TYR  26  36.169  -2.026   8.563
  199   1HB   TYR  26          1HB       TYR  26  35.614   0.268   7.151
  200   2HB   TYR  26          2HB       TYR  26  36.344  -0.742   5.905
  201    HD1  TYR  26           HD1      TYR  26  34.080  -1.342   8.841
  202    HD2  TYR  26           HD2      TYR  26  34.775  -1.896   4.638
  203    HE1  TYR  26           HE1      TYR  26  31.973  -2.636   8.664
  204    HE2  TYR  26           HE2      TYR  26  32.666  -3.191   4.461
  205    HH   TYR  26           HH       TYR  26  30.309  -3.106   6.204
  206    H    PHE  27           H        PHE  27  39.140  -0.730   7.454
  207    HA   PHE  27           HA       PHE  27  39.779  -2.939   5.640
  208   1HB   PHE  27          1HB       PHE  27  40.633  -0.489   5.492
  209   2HB   PHE  27          2HB       PHE  27  41.729  -0.937   6.799
  210    HD1  PHE  27           HD1      PHE  27  43.151  -3.088   6.459
  211    HD2  PHE  27           HD2      PHE  27  41.204  -0.983   3.260
  212    HE1  PHE  27           HE1      PHE  27  44.666  -4.173   4.823
  213    HE2  PHE  27           HE2      PHE  27  42.720  -2.069   1.625
  214    HZ   PHE  27           HZ       PHE  27  44.451  -3.663   2.406
  215    H    ALA  28           H        ALA  28  40.689  -1.756   8.841
  216    HA   ALA  28           HA       ALA  28  42.606  -3.637   9.627
  217   1HB   ALA  28          1HB       ALA  28  41.184  -1.640  10.864
  218   2HB   ALA  28          2HB       ALA  28  40.513  -3.075  11.639
  219   3HB   ALA  28          3HB       ALA  28  42.247  -2.764  11.711
  220    H    ALA  29           H        ALA  29  39.087  -3.852   9.973
  221    HA   ALA  29           HA       ALA  29  39.084  -6.615  10.855
  222   1HB   ALA  29          1HB       ALA  29  37.040  -4.605   9.975
  223   2HB   ALA  29          2HB       ALA  29  36.577  -6.300  10.125
  224   3HB   ALA  29          3HB       ALA  29  37.191  -5.426  11.529
  225    H    LEU  30           H        LEU  30  38.444  -4.954   7.827
  226    HA   LEU  30           HA       LEU  30  37.555  -7.154   6.281
  227   1HB   LEU  30          1HB       LEU  30  38.793  -4.512   5.630
  228   2HB   LEU  30          2HB       LEU  30  38.641  -5.703   4.349
  229    HG   LEU  30           HG       LEU  30  36.685  -3.934   4.959
  230   1HD1  LEU  30          1HD1      LEU  30  36.968  -6.319   3.437
  231   2HD1  LEU  30          2HD1      LEU  30  35.377  -6.361   4.197
  232   3HD1  LEU  30          3HD1      LEU  30  35.832  -4.993   3.182
  233   1HD2  LEU  30          1HD2      LEU  30  36.458  -5.048   7.246
  234   2HD2  LEU  30          2HD2      LEU  30  34.969  -4.916   6.309
  235   3HD2  LEU  30          3HD2      LEU  30  35.824  -6.457   6.395
  236    H    SER  31           H        SER  31  40.569  -6.967   7.689
  237    HA   SER  31           HA       SER  31  42.560  -7.548   5.955
  238   1HB   SER  31          1HB       SER  31  43.496  -8.135   7.914
  239   2HB   SER  31          2HB       SER  31  41.909  -8.385   8.634
  240    HG   SER  31           HG       SER  31  43.595 -10.227   8.212
  241    HA   PRO  32           HA       PRO  32  40.825 -11.928   4.931
  242   1HB   PRO  32          1HB       PRO  32  38.635 -12.777   6.312
  243   2HB   PRO  32          2HB       PRO  32  40.289 -12.922   6.930
  244   1HG   PRO  32          1HG       PRO  32  38.128 -11.193   7.858
  245   2HG   PRO  32          2HG       PRO  32  39.666 -11.583   8.643
  246   1HD   PRO  32          1HD       PRO  32  38.957  -9.212   7.113
  247   2HD   PRO  32          2HD       PRO  32  40.406  -9.505   8.087
  248    H    ALA  33           H        ALA  33  38.460  -9.396   5.385
  249    HA   ALA  33           HA       ALA  33  36.476 -10.505   3.557
  250   1HB   ALA  33          1HB       ALA  33  36.855  -7.763   4.742
  251   2HB   ALA  33          2HB       ALA  33  35.449  -8.253   3.804
  252   3HB   ALA  33          3HB       ALA  33  35.791  -9.028   5.353
  253    H    ILE  34           H        ILE  34  39.425  -9.060   3.079
  254    HA   ILE  34           HA       ILE  34  39.221  -7.142   1.131
  255    HB   ILE  34           HB       ILE  34  41.259  -8.105   0.062
  256   1HG1  ILE  34          1HG1      ILE  34  41.657 -10.223   1.999
  257   2HG1  ILE  34          2HG1      ILE  34  40.195 -10.517   1.055
  258   1HG2  ILE  34          1HG2      ILE  34  40.963  -7.030   2.581
  259   2HG2  ILE  34          2HG2      ILE  34  41.870  -8.505   2.909
  260   3HG2  ILE  34          3HG2      ILE  34  42.507  -7.312   1.780
  261   1HD1  ILE  34          1HD1      ILE  34  41.542 -10.056  -1.026
  262   2HD1  ILE  34          2HD1      ILE  34  42.984 -10.012  -0.012
  263   3HD1  ILE  34          3HD1      ILE  34  42.046 -11.500  -0.147
  264    H    THR  35           H        THR  35  38.239 -10.517   0.739
  265    HA   THR  35           HA       THR  35  38.025 -10.221  -2.168
  266    HB   THR  35           HB       THR  35  38.530 -12.429  -1.053
  267    HG1  THR  35           HG1      THR  35  36.707 -11.889  -3.019
  268   1HG2  THR  35          1HG2      THR  35  35.858 -11.914   0.092
  269   2HG2  THR  35          2HG2      THR  35  36.079 -13.531  -0.562
  270   3HG2  THR  35          3HG2      THR  35  37.162 -12.929   0.691
  271    H    PHE  36           H        PHE  36  35.832 -10.132   0.596
  272    HA   PHE  36           HA       PHE  36  33.352 -10.100  -0.702
  273   1HB   PHE  36          1HB       PHE  36  33.003  -9.964   1.558
  274   2HB   PHE  36          2HB       PHE  36  34.464  -9.021   1.825
  275    HD1  PHE  36           HD1      PHE  36  30.876  -8.873   0.979
  276    HD2  PHE  36           HD2      PHE  36  34.436  -6.588   1.718
  277    HE1  PHE  36           HE1      PHE  36  29.510  -6.815   1.199
  278    HE2  PHE  36           HE2      PHE  36  33.070  -4.529   1.939
  279    HZ   PHE  36           HZ       PHE  36  30.607  -4.644   1.679
  280    H    GLY  37           H        GLY  37  35.834  -7.609  -0.536
  281   1HA   GLY  37          1HA       GLY  37  34.077  -5.764  -2.087
  282   2HA   GLY  37          2HA       GLY  37  35.537  -5.282  -1.221
  283    H    GLY  38           H        GLY  38  34.376  -7.048  -4.069
  284   1HA   GLY  38          1HA       GLY  38  37.005  -6.445  -5.354
  285   2HA   GLY  38          2HA       GLY  38  36.264  -8.035  -5.542
  286    H    LEU  39           H        LEU  39  33.810  -5.791  -5.372
  287    HA   LEU  39           HA       LEU  39  33.308  -5.999  -8.260
  288   1HB   LEU  39          1HB       LEU  39  31.770  -5.057  -5.865
  289   2HB   LEU  39          2HB       LEU  39  31.261  -4.523  -7.466
  290    HG   LEU  39           HG       LEU  39  30.163  -6.660  -6.634
  291   1HD1  LEU  39          1HD1      LEU  39  31.812  -6.792  -9.176
  292   2HD1  LEU  39          2HD1      LEU  39  30.406  -7.796  -8.818
  293   3HD1  LEU  39          3HD1      LEU  39  30.217  -6.054  -9.017
  294   1HD2  LEU  39          1HD2      LEU  39  32.277  -7.560  -5.607
  295   2HD2  LEU  39          2HD2      LEU  39  31.475  -8.701  -6.685
  296   3HD2  LEU  39          3HD2      LEU  39  32.900  -7.821  -7.237
  297    H    LEU  40           H        LEU  40  35.312  -4.061  -6.631
  298    HA   LEU  40           HA       LEU  40  34.458  -1.447  -7.620
  299   1HB   LEU  40          1HB       LEU  40  36.147  -2.250  -5.624
  300   2HB   LEU  40          2HB       LEU  40  37.296  -1.816  -6.891
  301    HG   LEU  40           HG       LEU  40  36.879   0.177  -5.604
  302   1HD1  LEU  40          1HD1      LEU  40  36.839   0.278  -8.173
  303   2HD1  LEU  40          2HD1      LEU  40  35.089   0.441  -8.027
  304   3HD1  LEU  40          3HD1      LEU  40  36.151   1.659  -7.320
  305   1HD2  LEU  40          1HD2      LEU  40  34.173  -0.925  -5.537
  306   2HD2  LEU  40          2HD2      LEU  40  34.938   0.231  -4.446
  307   3HD2  LEU  40          3HD2      LEU  40  34.180   0.794  -5.936
  308    H    GLY  41           H        GLY  41  37.444  -3.323  -8.282
  309   1HA   GLY  41          1HA       GLY  41  38.283  -1.968 -10.561
  310   2HA   GLY  41          2HA       GLY  41  38.535  -3.701 -10.339
  311    H    GLU  42           H        GLU  42  37.667  -1.941 -12.729
  312    HA   GLU  42           HA       GLU  42  34.965  -2.795 -13.352
  313   1HB   GLU  42          1HB       GLU  42  37.097  -1.245 -14.646
  314   2HB   GLU  42          2HB       GLU  42  36.154  -2.215 -15.778
  315   1HG   GLU  42          1HG       GLU  42  34.072  -1.249 -14.899
  316   2HG   GLU  42          2HG       GLU  42  34.995  -0.300 -13.732
  317    H    LYS  43           H        LYS  43  37.973  -4.371 -13.359
  318    HA   LYS  43           HA       LYS  43  37.287  -6.233 -15.542
  319   1HB   LYS  43          1HB       LYS  43  39.620  -6.124 -13.607
  320   2HB   LYS  43          2HB       LYS  43  39.445  -7.335 -14.877
  321   1HG   LYS  43          1HG       LYS  43  40.438  -5.895 -16.291
  322   2HG   LYS  43          2HG       LYS  43  39.020  -4.855 -16.141
  323   1HD   LYS  43          1HD       LYS  43  40.776  -3.435 -15.488
  324   2HD   LYS  43          2HD       LYS  43  40.155  -4.026 -13.945
  325   1HE   LYS  43          1HE       LYS  43  41.956  -5.485 -13.628
  326   2HE   LYS  43          2HE       LYS  43  42.354  -5.523 -15.346
  327   1HZ   LYS  43          1HZ       LYS  43  42.530  -2.878 -14.482
  328   2HZ   LYS  43          2HZ       LYS  43  43.374  -3.831 -13.357
  329   3HZ   LYS  43          3HZ       LYS  43  43.785  -3.892 -15.004
  Start of MODEL    5
    1   1H    ACE   1           HA1      ACE   1  21.473   0.170 -19.329
    2   2H    ACE   1           HA2      ACE   1  21.125  -1.557 -19.402
    3   3H    ACE   1           HA3      ACE   1  21.898  -0.755 -20.770
    4    H    ARG   2           H        ARG   2  23.091   0.468 -17.860
    5    HA   ARG   2           HA       ARG   2  25.421  -1.403 -18.002
    6   1HB   ARG   2          1HB       ARG   2  25.741   1.048 -18.764
    7   2HB   ARG   2          2HB       ARG   2  25.611   1.458 -17.055
    8   1HG   ARG   2          1HG       ARG   2  27.615   0.469 -16.520
    9   2HG   ARG   2          2HG       ARG   2  27.452  -0.773 -17.762
   10   1HD   ARG   2          1HD       ARG   2  27.617   1.618 -19.200
   11   2HD   ARG   2          2HD       ARG   2  28.799   1.807 -17.905
   12    HE   ARG   2           HE       ARG   2  29.271  -0.746 -18.897
   13   1HH1  ARG   2          1HH1      ARG   2  29.536   2.546 -19.819
   14   2HH1  ARG   2          2HH1      ARG   2  30.467   2.219 -21.242
   15   1HH2  ARG   2          1HH2      ARG   2  30.291  -1.222 -20.894
   16   2HH2  ARG   2          2HH2      ARG   2  30.894   0.091 -21.848
   17    H    TYR   3           H        TYR   3  24.528   1.124 -15.636
   18    HA   TYR   3           HA       TYR   3  24.633   0.965 -13.274
   19   1HB   TYR   3          1HB       TYR   3  22.934  -0.962 -12.581
   20   2HB   TYR   3          2HB       TYR   3  22.365   0.527 -13.332
   21    HD1  TYR   3           HD1      TYR   3  21.713   0.579 -15.706
   22    HD2  TYR   3           HD2      TYR   3  22.964  -3.063 -13.801
   23    HE1  TYR   3           HE1      TYR   3  20.788  -0.729 -17.598
   24    HE2  TYR   3           HE2      TYR   3  22.039  -4.370 -15.696
   25    HH   TYR   3           HH       TYR   3  21.497  -3.377 -18.522
   26    HA   PRO   4           HA       PRO   4  27.635  -2.484 -12.889
   27   1HB   PRO   4          1HB       PRO   4  29.678  -0.911 -12.007
   28   2HB   PRO   4          2HB       PRO   4  29.325  -1.167 -13.724
   29   1HG   PRO   4          1HG       PRO   4  28.940   1.233 -12.088
   30   2HG   PRO   4          2HG       PRO   4  29.011   1.071 -13.849
   31   1HD   PRO   4          1HD       PRO   4  26.673   1.341 -12.190
   32   2HD   PRO   4          2HD       PRO   4  26.753   1.205 -13.954
   33    H    TYR   5           H        TYR   5  28.121   0.221 -10.599
   34    HA   TYR   5           HA       TYR   5  28.256  -1.605  -8.344
   35   1HB   TYR   5          1HB       TYR   5  28.705   1.237  -8.849
   36   2HB   TYR   5          2HB       TYR   5  27.901   0.953  -7.304
   37    HD1  TYR   5           HD1      TYR   5  28.898  -1.150  -5.948
   38    HD2  TYR   5           HD2      TYR   5  31.028   1.163  -8.876
   39    HE1  TYR   5           HE1      TYR   5  31.052  -1.887  -4.964
   40    HE2  TYR   5           HE2      TYR   5  33.181   0.425  -7.892
   41    HH   TYR   5           HH       TYR   5  33.750  -1.963  -6.297
   42    H    TYR   6           H        TYR   6  25.780   0.518  -9.699
   43    HA   TYR   6           HA       TYR   6  23.903   0.776  -7.702
   44   1HB   TYR   6          1HB       TYR   6  23.678   1.398 -10.172
   45   2HB   TYR   6          2HB       TYR   6  23.148  -0.262 -10.438
   46    HD1  TYR   6           HD1      TYR   6  21.214  -1.132  -8.916
   47    HD2  TYR   6           HD2      TYR   6  22.115   3.025  -9.518
   48    HE1  TYR   6           HE1      TYR   6  18.927  -0.528  -8.172
   49    HE2  TYR   6           HE2      TYR   6  19.828   3.628  -8.774
   50    HH   TYR   6           HH       TYR   6  17.908   1.787  -7.064
   51    H    LEU   7           H        LEU   7  24.501  -2.136  -9.618
   52    HA   LEU   7           HA       LEU   7  22.418  -3.695  -8.365
   53   1HB   LEU   7          1HB       LEU   7  24.411  -4.055 -10.412
   54   2HB   LEU   7          2HB       LEU   7  24.431  -5.438  -9.315
   55    HG   LEU   7           HG       LEU   7  22.808  -5.745 -11.174
   56   1HD1  LEU   7          1HD1      LEU   7  22.376  -6.061  -8.389
   57   2HD1  LEU   7          2HD1      LEU   7  20.848  -5.513  -9.079
   58   3HD1  LEU   7          3HD1      LEU   7  21.626  -6.968  -9.703
   59   1HD2  LEU   7          1HD2      LEU   7  22.297  -3.068 -10.828
   60   2HD2  LEU   7          2HD2      LEU   7  21.253  -4.173 -11.722
   61   3HD2  LEU   7          3HD2      LEU   7  20.902  -3.801 -10.035
   62    H    SER   8           H        SER   8  25.896  -3.354  -7.744
   63    HA   SER   8           HA       SER   8  26.092  -5.466  -5.833
   64   1HB   SER   8          1HB       SER   8  27.802  -3.028  -5.569
   65   2HB   SER   8          2HB       SER   8  28.250  -4.727  -5.459
   66    HG   SER   8           HG       SER   8  28.902  -4.346  -7.441
   67    H    ASP   9           H        ASP   9  24.558  -2.391  -5.512
   68    HA   ASP   9           HA       ASP   9  24.947  -2.354  -2.587
   69   1HB   ASP   9          1HB       ASP   9  23.257  -0.358  -2.847
   70   2HB   ASP   9          2HB       ASP   9  24.929  -0.162  -3.339
   71    H    ILE  10           H        ILE  10  22.048  -2.074  -4.607
   72    HA   ILE  10           HA       ILE  10  20.057  -2.598  -2.820
   73    HB   ILE  10           HB       ILE  10  20.092  -2.425  -5.483
   74   1HG1  ILE  10          1HG1      ILE  10  17.807  -4.006  -4.394
   75   2HG1  ILE  10          2HG1      ILE  10  18.173  -2.462  -3.624
   76   1HG2  ILE  10          1HG2      ILE  10  21.004  -4.762  -5.706
   77   2HG2  ILE  10          2HG2      ILE  10  19.485  -5.358  -5.035
   78   3HG2  ILE  10          3HG2      ILE  10  19.491  -4.493  -6.572
   79   1HD1  ILE  10          1HD1      ILE  10  18.075  -2.564  -6.612
   80   2HD1  ILE  10          2HD1      ILE  10  16.551  -2.583  -5.725
   81   3HD1  ILE  10          3HD1      ILE  10  17.672  -1.236  -5.523
   82    H    THR  11           H        THR  11  22.161  -5.046  -4.264
   83    HA   THR  11           HA       THR  11  20.832  -7.248  -2.893
   84    HB   THR  11           HB       THR  11  22.579  -8.635  -3.811
   85    HG1  THR  11           HG1      THR  11  23.909  -6.162  -4.091
   86   1HG2  THR  11          1HG2      THR  11  20.925  -7.095  -5.339
   87   2HG2  THR  11          2HG2      THR  11  22.497  -6.668  -6.014
   88   3HG2  THR  11          3HG2      THR  11  21.977  -8.353  -5.989
   89    H    ASP  12           H        ASP  12  23.825  -5.384  -2.344
   90    HA   ASP  12           HA       ASP  12  24.483  -6.927   0.044
   91   1HB   ASP  12          1HB       ASP  12  26.189  -5.782  -1.425
   92   2HB   ASP  12          2HB       ASP  12  25.600  -4.241  -0.799
   93    H    ALA  13           H        ALA  13  22.023  -4.871  -0.468
   94    HA   ALA  13           HA       ALA  13  22.311  -3.227   1.947
   95   1HB   ALA  13          1HB       ALA  13  21.138  -2.423  -0.140
   96   2HB   ALA  13          2HB       ALA  13  19.861  -3.591   0.200
   97   3HB   ALA  13          3HB       ALA  13  20.176  -2.275   1.331
   98    H    PHE  14           H        PHE  14  20.996  -6.310   1.079
   99    HA   PHE  14           HA       PHE  14  19.179  -6.424   3.370
  100   1HB   PHE  14          1HB       PHE  14  18.300  -8.229   2.317
  101   2HB   PHE  14          2HB       PHE  14  19.305  -7.753   0.956
  102    HD1  PHE  14           HD1      PHE  14  19.012 -10.036   3.849
  103    HD2  PHE  14           HD2      PHE  14  21.301  -8.990   0.366
  104    HE1  PHE  14           HE1      PHE  14  20.246 -12.181   4.015
  105    HE2  PHE  14           HE2      PHE  14  22.536 -11.135   0.534
  106    HZ   PHE  14           HZ       PHE  14  22.008 -12.730   2.358
  107    H    SER  15           H        SER  15  22.404  -6.363   3.241
  108    HA   SER  15           HA       SER  15  22.722  -8.281   5.507
  109   1HB   SER  15          1HB       SER  15  24.137  -9.223   3.927
  110   2HB   SER  15          2HB       SER  15  24.461  -7.677   3.148
  111    HG   SER  15           HG       SER  15  26.003  -7.284   4.558
  112    HA   PRO  16           HA       PRO  16  23.611  -4.092   7.176
  113   1HB   PRO  16          1HB       PRO  16  21.982  -4.346   9.344
  114   2HB   PRO  16          2HB       PRO  16  21.403  -3.799   7.762
  115   1HG   PRO  16          1HG       PRO  16  20.906  -6.331   9.144
  116   2HG   PRO  16          2HG       PRO  16  20.036  -5.601   7.786
  117   1HD   PRO  16          1HD       PRO  16  21.999  -7.712   7.710
  118   2HD   PRO  16          2HD       PRO  16  21.084  -7.017   6.365
  119    H    GLN  17           H        GLN  17  22.918  -6.813   9.397
  120    HA   GLN  17           HA       GLN  17  24.841  -6.124  11.356
  121   1HB   GLN  17          1HB       GLN  17  23.168  -8.411  10.727
  122   2HB   GLN  17          2HB       GLN  17  24.753  -8.938  11.293
  123   1HG   GLN  17          1HG       GLN  17  23.803  -6.719  12.890
  124   2HG   GLN  17          2HG       GLN  17  22.613  -8.022  12.877
  125   1HE2  GLN  17          2HE2      GLN  17  24.034  -7.462  15.265
  126   2HE2  GLN  17          1HE2      GLN  17  25.105  -8.740  15.585
  127    H    VAL  18           H        VAL  18  25.175  -7.812   8.299
  128    HA   VAL  18           HA       VAL  18  27.968  -8.546   8.884
  129    HB   VAL  18           HB       VAL  18  26.041  -9.067   6.638
  130   1HG1  VAL  18          1HG1      VAL  18  29.036  -9.114   6.532
  131   2HG1  VAL  18          2HG1      VAL  18  28.150 -10.402   5.716
  132   3HG1  VAL  18          3HG1      VAL  18  27.878  -8.720   5.261
  133   1HG2  VAL  18          1HG2      VAL  18  26.191 -10.506   8.711
  134   2HG2  VAL  18          2HG2      VAL  18  26.480 -11.374   7.203
  135   3HG2  VAL  18          3HG2      VAL  18  27.838 -10.915   8.231
  136    H    LEU  19           H        LEU  19  26.226  -6.269   6.736
  137    HA   LEU  19           HA       LEU  19  28.517  -5.345   5.317
  138   1HB   LEU  19          1HB       LEU  19  26.277  -4.638   4.648
  139   2HB   LEU  19          2HB       LEU  19  26.040  -3.822   6.194
  140    HG   LEU  19           HG       LEU  19  28.066  -2.399   5.626
  141   1HD1  LEU  19          1HD1      LEU  19  28.873  -4.042   3.861
  142   2HD1  LEU  19          2HD1      LEU  19  27.573  -3.450   2.828
  143   3HD1  LEU  19          3HD1      LEU  19  28.850  -2.353   3.354
  144   1HD2  LEU  19          1HD2      LEU  19  25.480  -2.362   4.087
  145   2HD2  LEU  19          2HD2      LEU  19  26.023  -1.279   5.369
  146   3HD2  LEU  19          3HD2      LEU  19  26.715  -1.149   3.752
  147    H    ALA  20           H        ALA  20  26.994  -3.937   8.222
  148    HA   ALA  20           HA       ALA  20  28.981  -2.014   8.785
  149   1HB   ALA  20          1HB       ALA  20  26.780  -2.203   9.960
  150   2HB   ALA  20          2HB       ALA  20  27.394  -3.622  10.808
  151   3HB   ALA  20          3HB       ALA  20  28.139  -2.045  11.073
  152    H    ALA  21           H        ALA  21  28.682  -5.300  10.165
  153    HA   ALA  21           HA       ALA  21  30.960  -5.456  11.720
  154   1HB   ALA  21          1HB       ALA  21  29.323  -7.330  10.201
  155   2HB   ALA  21          2HB       ALA  21  31.008  -7.847  10.242
  156   3HB   ALA  21          3HB       ALA  21  30.134  -7.569  11.749
  157    H    VAL  22           H        VAL  22  30.851  -6.102   8.248
  158    HA   VAL  22           HA       VAL  22  33.535  -6.611   7.729
  159    HB   VAL  22           HB       VAL  22  31.382  -5.253   6.110
  160   1HG1  VAL  22          1HG1      VAL  22  34.315  -5.508   5.473
  161   2HG1  VAL  22          2HG1      VAL  22  33.125  -5.642   4.177
  162   3HG1  VAL  22          3HG1      VAL  22  33.219  -4.167   5.140
  163   1HG2  VAL  22          1HG2      VAL  22  32.926  -7.854   5.839
  164   2HG2  VAL  22          2HG2      VAL  22  31.289  -7.691   6.473
  165   3HG2  VAL  22          3HG2      VAL  22  31.619  -7.324   4.780
  166    H    ILE  23           H        ILE  23  32.016  -3.363   7.587
  167    HA   ILE  23           HA       ILE  23  34.477  -1.978   7.164
  168    HB   ILE  23           HB       ILE  23  31.947  -0.945   8.480
  169   1HG1  ILE  23          1HG1      ILE  23  31.458  -1.972   6.316
  170   2HG1  ILE  23          2HG1      ILE  23  31.383  -0.218   6.156
  171   1HG2  ILE  23          1HG2      ILE  23  34.450   0.306   7.432
  172   2HG2  ILE  23          2HG2      ILE  23  32.929   1.151   7.146
  173   3HG2  ILE  23          3HG2      ILE  23  33.439   0.788   8.795
  174   1HD1  ILE  23          1HD1      ILE  23  33.910  -0.431   5.497
  175   2HD1  ILE  23          2HD1      ILE  23  33.500  -2.116   5.174
  176   3HD1  ILE  23          3HD1      ILE  23  32.676  -0.824   4.300
  177    H    PHE  24           H        PHE  24  32.611  -2.317  10.203
  178    HA   PHE  24           HA       PHE  24  34.060  -0.999  12.053
  179   1HB   PHE  24          1HB       PHE  24  32.334  -3.191  12.147
  180   2HB   PHE  24          2HB       PHE  24  33.796  -3.781  12.937
  181    HD1  PHE  24           HD1      PHE  24  31.492  -0.829  12.879
  182    HD2  PHE  24           HD2      PHE  24  34.210  -3.231  15.180
  183    HE1  PHE  24           HE1      PHE  24  30.911   0.464  14.914
  184    HE2  PHE  24           HE2      PHE  24  33.630  -1.938  17.215
  185    HZ   PHE  24           HZ       PHE  24  31.979  -0.091  17.083
  186    H    ILE  25           H        ILE  25  35.152  -3.918  10.392
  187    HA   ILE  25           HA       ILE  25  37.639  -4.069  11.927
  188    HB   ILE  25           HB       ILE  25  36.955  -5.342   9.255
  189   1HG1  ILE  25          1HG1      ILE  25  36.842  -6.683  11.957
  190   2HG1  ILE  25          2HG1      ILE  25  35.441  -5.824  11.314
  191   1HG2  ILE  25          1HG2      ILE  25  39.410  -5.140  10.268
  192   2HG2  ILE  25          2HG2      ILE  25  38.858  -6.491  11.258
  193   3HG2  ILE  25          3HG2      ILE  25  38.863  -6.630   9.500
  194   1HD1  ILE  25          1HD1      ILE  25  36.067  -7.272   9.141
  195   2HD1  ILE  25          2HD1      ILE  25  36.708  -8.351  10.380
  196   3HD1  ILE  25          3HD1      ILE  25  35.006  -7.890  10.407
  197    H    TYR  26           H        TYR  26  36.876  -3.136   8.522
  198    HA   TYR  26           HA       TYR  26  39.496  -2.188   7.908
  199   1HB   TYR  26          1HB       TYR  26  37.024  -2.279   6.599
  200   2HB   TYR  26          2HB       TYR  26  37.377  -0.556   6.727
  201    HD1  TYR  26           HD1      TYR  26  38.616  -3.809   5.456
  202    HD2  TYR  26           HD2      TYR  26  39.214   0.444   5.531
  203    HE1  TYR  26           HE1      TYR  26  40.263  -4.008   3.612
  204    HE2  TYR  26           HE2      TYR  26  40.860   0.245   3.687
  205    HH   TYR  26           HH       TYR  26  42.062  -2.827   2.620
  206    H    PHE  27           H        PHE  27  36.643  -0.225   8.693
  207    HA   PHE  27           HA       PHE  27  37.697   2.246   9.240
  208   1HB   PHE  27          1HB       PHE  27  35.361   0.830   9.922
  209   2HB   PHE  27          2HB       PHE  27  36.001   1.427  11.451
  210    HD1  PHE  27           HD1      PHE  27  35.779   2.745   7.930
  211    HD2  PHE  27           HD2      PHE  27  35.096   3.459  12.110
  212    HE1  PHE  27           HE1      PHE  27  34.936   5.019   7.404
  213    HE2  PHE  27           HE2      PHE  27  34.253   5.731  11.585
  214    HZ   PHE  27           HZ       PHE  27  34.171   6.510   9.232
  215    H    ALA  28           H        ALA  28  38.093  -0.680  11.112
  216    HA   ALA  28           HA       ALA  28  39.067   0.449  13.533
  217   1HB   ALA  28          1HB       ALA  28  38.411  -2.027  12.844
  218   2HB   ALA  28          2HB       ALA  28  40.139  -2.162  12.527
  219   3HB   ALA  28          3HB       ALA  28  39.569  -1.734  14.140
  220    H    ALA  29           H        ALA  29  41.037  -1.121  10.980
  221    HA   ALA  29           HA       ALA  29  43.415   0.243  12.056
  222   1HB   ALA  29          1HB       ALA  29  42.973  -1.932  10.032
  223   2HB   ALA  29          2HB       ALA  29  44.543  -1.146  10.189
  224   3HB   ALA  29          3HB       ALA  29  43.847  -2.005  11.563
  225    H    LEU  30           H        LEU  30  42.336  -0.231   8.674
  226    HA   LEU  30           HA       LEU  30  43.771   2.225   7.924
  227   1HB   LEU  30          1HB       LEU  30  42.197   0.694   5.910
  228   2HB   LEU  30          2HB       LEU  30  43.811   1.393   5.780
  229    HG   LEU  30           HG       LEU  30  44.244  -0.495   7.693
  230   1HD1  LEU  30          1HD1      LEU  30  41.748  -1.168   7.120
  231   2HD1  LEU  30          2HD1      LEU  30  42.507  -1.970   5.744
  232   3HD1  LEU  30          3HD1      LEU  30  42.968  -2.413   7.388
  233   1HD2  LEU  30          1HD2      LEU  30  44.495  -0.426   4.714
  234   2HD2  LEU  30          2HD2      LEU  30  45.758  -0.498   5.943
  235   3HD2  LEU  30          3HD2      LEU  30  44.843  -1.949   5.533
  236    H    SER  31           H        SER  31  41.409   2.574   9.516
  237    HA   SER  31           HA       SER  31  39.053   3.135   8.166
  238   1HB   SER  31          1HB       SER  31  39.482   5.336   9.919
  239   2HB   SER  31          2HB       SER  31  38.483   3.911  10.179
  240    HG   SER  31           HG       SER  31  40.543   4.495  11.539
  241    HA   PRO  32           HA       PRO  32  40.589   7.353   6.533
  242   1HB   PRO  32          1HB       PRO  32  42.573   8.647   7.879
  243   2HB   PRO  32          2HB       PRO  32  40.893   8.617   8.441
  244   1HG   PRO  32          1HG       PRO  32  43.216   7.385   9.653
  245   2HG   PRO  32          2HG       PRO  32  41.563   7.487  10.280
  246   1HD   PRO  32          1HD       PRO  32  42.879   5.262   8.840
  247   2HD   PRO  32          2HD       PRO  32  41.466   5.231   9.901
  248    H    ALA  33           H        ALA  33  42.821   4.875   6.864
  249    HA   ALA  33           HA       ALA  33  45.199   5.993   5.746
  250   1HB   ALA  33          1HB       ALA  33  44.607   3.591   6.781
  251   2HB   ALA  33          2HB       ALA  33  44.466   3.183   5.071
  252   3HB   ALA  33          3HB       ALA  33  45.981   3.829   5.702
  253    H    ILE  34           H        ILE  34  42.725   4.006   4.087
  254    HA   ILE  34           HA       ILE  34  43.748   4.469   1.472
  255    HB   ILE  34           HB       ILE  34  42.219   2.647   1.877
  256   1HG1  ILE  34          1HG1      ILE  34  40.750   4.706   0.205
  257   2HG1  ILE  34          2HG1      ILE  34  42.176   3.835  -0.362
  258   1HG2  ILE  34          1HG2      ILE  34  40.932   4.366   3.566
  259   2HG2  ILE  34          2HG2      ILE  34  39.825   4.356   2.193
  260   3HG2  ILE  34          3HG2      ILE  34  40.244   2.845   3.000
  261   1HD1  ILE  34          1HD1      ILE  34  40.142   2.077   0.811
  262   2HD1  ILE  34          2HD1      ILE  34  39.568   2.950  -0.610
  263   3HD1  ILE  34          3HD1      ILE  34  41.003   1.930  -0.721
  264    H    THR  35           H        THR  35  41.772   6.492   3.516
  265    HA   THR  35           HA       THR  35  40.905   8.146   1.238
  266    HB   THR  35           HB       THR  35  40.500   9.143   3.995
  267    HG1  THR  35           HG1      THR  35  38.863   7.036   3.193
  268   1HG2  THR  35          1HG2      THR  35  39.176   9.099   1.372
  269   2HG2  THR  35          2HG2      THR  35  38.071   8.892   2.731
  270   3HG2  THR  35          3HG2      THR  35  39.108  10.316   2.646
  271    H    PHE  36           H        PHE  36  43.490   8.056   3.532
  272    HA   PHE  36           HA       PHE  36  44.113  10.915   3.178
  273   1HB   PHE  36          1HB       PHE  36  45.077   8.709   4.923
  274   2HB   PHE  36          2HB       PHE  36  46.246   9.967   4.521
  275    HD1  PHE  36           HD1      PHE  36  42.561  10.370   4.829
  276    HD2  PHE  36           HD2      PHE  36  46.399  11.142   6.598
  277    HE1  PHE  36           HE1      PHE  36  41.496  11.887   6.476
  278    HE2  PHE  36           HE2      PHE  36  45.333  12.660   8.248
  279    HZ   PHE  36           HZ       PHE  36  42.881  13.033   8.185
  280    H    GLY  37           H        GLY  37  46.019  11.662   2.126
  281   1HA   GLY  37          1HA       GLY  37  48.077  11.314   0.884
  282   2HA   GLY  37          2HA       GLY  37  47.572   9.653   0.574
  283    H    GLY  38           H        GLY  38  48.033  12.493  -0.958
  284   1HA   GLY  38          1HA       GLY  38  45.702  12.159  -2.793
  285   2HA   GLY  38          2HA       GLY  38  46.691  13.616  -2.677
  286    H    LEU  39           H        LEU  39  48.397  10.636  -2.585
  287    HA   LEU  39           HA       LEU  39  49.867  11.268  -4.990
  288   1HB   LEU  39          1HB       LEU  39  49.759   8.609  -3.537
  289   2HB   LEU  39          2HB       LEU  39  51.049   9.197  -4.586
  290    HG   LEU  39           HG       LEU  39  50.681  11.201  -2.633
  291   1HD1  LEU  39          1HD1      LEU  39  50.091   8.510  -1.611
  292   2HD1  LEU  39          2HD1      LEU  39  51.400   9.313  -0.745
  293   3HD1  LEU  39          3HD1      LEU  39  49.817  10.082  -0.860
  294   1HD2  LEU  39          1HD2      LEU  39  52.729   9.171  -3.394
  295   2HD2  LEU  39          2HD2      LEU  39  52.861  10.929  -3.328
  296   3HD2  LEU  39          3HD2      LEU  39  52.941   9.982  -1.842
  297    H    LEU  40           H        LEU  40  46.902   9.635  -4.415
  298    HA   LEU  40           HA       LEU  40  46.882   7.715  -6.499
  299   1HB   LEU  40          1HB       LEU  40  44.928   9.044  -4.803
  300   2HB   LEU  40          2HB       LEU  40  44.296   8.783  -6.429
  301    HG   LEU  40           HG       LEU  40  45.750   6.570  -5.002
  302   1HD1  LEU  40          1HD1      LEU  40  43.823   7.590  -3.603
  303   2HD1  LEU  40          2HD1      LEU  40  42.759   6.929  -4.844
  304   3HD1  LEU  40          3HD1      LEU  40  43.788   5.852  -3.899
  305   1HD2  LEU  40          1HD2      LEU  40  43.763   6.852  -7.253
  306   2HD2  LEU  40          2HD2      LEU  40  45.333   6.048  -7.263
  307   3HD2  LEU  40          3HD2      LEU  40  43.969   5.308  -6.426
  308    H    GLY  41           H        GLY  41  46.115  11.188  -6.573
  309   1HA   GLY  41          1HA       GLY  41  46.920  12.307  -8.715
  310   2HA   GLY  41          2HA       GLY  41  46.081  11.005  -9.559
  311    H    GLU  42           H        GLU  42  44.774  12.475  -6.655
  312    HA   GLU  42           HA       GLU  42  42.263  13.041  -7.928
  313   1HB   GLU  42          1HB       GLU  42  43.189  12.935  -5.310
  314   2HB   GLU  42          2HB       GLU  42  42.809  14.643  -5.541
  315   1HG   GLU  42          1HG       GLU  42  40.620  13.630  -6.677
  316   2HG   GLU  42          2HG       GLU  42  40.994  12.269  -5.619
  317    H    LYS  43           H        LYS  43  45.239  14.782  -7.732
  318    HA   LYS  43           HA       LYS  43  44.071  17.419  -8.196
  319   1HB   LYS  43          1HB       LYS  43  46.442  16.717  -7.204
  320   2HB   LYS  43          2HB       LYS  43  46.914  16.796  -8.902
  321   1HG   LYS  43          1HG       LYS  43  47.162  19.020  -8.575
  322   2HG   LYS  43          2HG       LYS  43  45.400  19.093  -8.568
  323   1HD   LYS  43          1HD       LYS  43  46.137  20.169  -6.551
  324   2HD   LYS  43          2HD       LYS  43  45.500  18.594  -6.079
  325   1HE   LYS  43          1HE       LYS  43  47.892  17.720  -6.251
  326   2HE   LYS  43          2HE       LYS  43  48.400  19.405  -6.372
  327   1HZ   LYS  43          1HZ       LYS  43  46.569  19.041  -4.232
  328   2HZ   LYS  43          2HZ       LYS  43  47.897  17.994  -4.065
  329   3HZ   LYS  43          3HZ       LYS  43  48.149  19.666  -4.200
  Start of MODEL    6
    1   1H    ACE   1           HA1      ACE   1  26.118 -10.863  -7.188
    2   2H    ACE   1           HA2      ACE   1  25.739 -10.252  -5.578
    3   3H    ACE   1           HA3      ACE   1  27.415 -10.559  -6.033
    4    H    ARG   2           H        ARG   2  24.615  -8.636  -7.175
    5    HA   ARG   2           HA       ARG   2  26.466  -6.323  -7.474
    6   1HB   ARG   2          1HB       ARG   2  26.223  -7.366  -9.704
    7   2HB   ARG   2          2HB       ARG   2  24.469  -7.231  -9.571
    8   1HG   ARG   2          1HG       ARG   2  24.485  -4.932  -9.837
    9   2HG   ARG   2          2HG       ARG   2  26.111  -4.761  -9.174
   10   1HD   ARG   2          1HD       ARG   2  26.030  -6.368 -11.627
   11   2HD   ARG   2          2HD       ARG   2  25.476  -4.711 -11.864
   12    HE   ARG   2           HE       ARG   2  27.986  -4.941 -10.363
   13   1HH1  ARG   2          1HH1      ARG   2  27.438  -5.912 -13.444
   14   2HH1  ARG   2          2HH1      ARG   2  28.356  -4.670 -14.227
   15   1HH2  ARG   2          1HH2      ARG   2  28.726  -2.760 -11.356
   16   2HH2  ARG   2          2HH2      ARG   2  29.075  -2.881 -13.048
   17    H    TYR   3           H        TYR   3  25.564  -4.461  -6.689
   18    HA   TYR   3           HA       TYR   3  22.682  -4.567  -5.955
   19   1HB   TYR   3          1HB       TYR   3  25.097  -3.367  -4.692
   20   2HB   TYR   3          2HB       TYR   3  23.583  -2.477  -4.527
   21    HD1  TYR   3           HD1      TYR   3  23.595  -6.127  -4.929
   22    HD2  TYR   3           HD2      TYR   3  23.452  -2.894  -2.105
   23    HE1  TYR   3           HE1      TYR   3  22.860  -7.704  -3.162
   24    HE2  TYR   3           HE2      TYR   3  22.716  -4.470  -0.338
   25    HH   TYR   3           HH       TYR   3  21.493  -6.753  -0.306
   26    HA   PRO   4           HA       PRO   4  22.463  -1.408  -9.200
   27   1HB   PRO   4          1HB       PRO   4  19.912  -2.046  -9.919
   28   2HB   PRO   4          2HB       PRO   4  21.334  -2.924 -10.506
   29   1HG   PRO   4          1HG       PRO   4  19.272  -3.786  -8.611
   30   2HG   PRO   4          2HG       PRO   4  20.437  -4.755  -9.527
   31   1HD   PRO   4          1HD       PRO   4  20.579  -3.969  -6.762
   32   2HD   PRO   4          2HD       PRO   4  21.725  -4.962  -7.678
   33    H    TYR   5           H        TYR   5  20.097  -2.109  -6.643
   34    HA   TYR   5           HA       TYR   5  18.907   0.568  -6.877
   35   1HB   TYR   5          1HB       TYR   5  18.402  -1.856  -5.173
   36   2HB   TYR   5          2HB       TYR   5  17.731  -0.296  -4.696
   37    HD1  TYR   5           HD1      TYR   5  17.917  -2.714  -7.534
   38    HD2  TYR   5           HD2      TYR   5  15.803   0.574  -5.754
   39    HE1  TYR   5           HE1      TYR   5  16.092  -2.990  -9.191
   40    HE2  TYR   5           HE2      TYR   5  13.978   0.298  -7.410
   41    HH   TYR   5           HH       TYR   5  13.067  -1.366  -8.878
   42    H    TYR   6           H        TYR   6  21.458  -0.955  -5.126
   43    HA   TYR   6           HA       TYR   6  21.460   0.907  -2.878
   44   1HB   TYR   6          1HB       TYR   6  22.453  -1.470  -2.946
   45   2HB   TYR   6          2HB       TYR   6  23.802  -0.748  -3.824
   46    HD1  TYR   6           HD1      TYR   6  21.851  -0.542  -0.649
   47    HD2  TYR   6           HD2      TYR   6  25.489   0.473  -2.695
   48    HE1  TYR   6           HE1      TYR   6  22.838   0.234   1.490
   49    HE2  TYR   6           HE2      TYR   6  26.475   1.249  -0.556
   50    HH   TYR   6           HH       TYR   6  26.108   0.769   1.916
   51    H    LEU   7           H        LEU   7  23.384   0.513  -5.843
   52    HA   LEU   7           HA       LEU   7  24.846   3.003  -5.313
   53   1HB   LEU   7          1HB       LEU   7  25.028   0.752  -7.226
   54   2HB   LEU   7          2HB       LEU   7  25.532   2.321  -7.854
   55    HG   LEU   7           HG       LEU   7  26.527   1.178  -5.231
   56   1HD1  LEU   7          1HD1      LEU   7  27.103   0.059  -7.618
   57   2HD1  LEU   7          2HD1      LEU   7  28.297   1.357  -7.615
   58   3HD1  LEU   7          3HD1      LEU   7  28.283   0.168  -6.311
   59   1HD2  LEU   7          1HD2      LEU   7  27.109   3.609  -6.901
   60   2HD2  LEU   7          2HD2      LEU   7  26.895   3.487  -5.155
   61   3HD2  LEU   7          3HD2      LEU   7  28.389   2.920  -5.903
   62    H    SER   8           H        SER   8  22.365   1.849  -7.586
   63    HA   SER   8           HA       SER   8  22.283   4.416  -8.980
   64   1HB   SER   8          1HB       SER   8  20.254   2.185  -9.150
   65   2HB   SER   8          2HB       SER   8  20.573   3.441 -10.341
   66    HG   SER   8           HG       SER   8  22.326   1.364  -9.510
   67    H    ASP   9           H        ASP   9  21.451   4.016  -5.957
   68    HA   ASP   9           HA       ASP   9  18.679   4.997  -6.122
   69   1HB   ASP   9          1HB       ASP   9  18.983   5.110  -3.552
   70   2HB   ASP   9          2HB       ASP   9  18.948   3.518  -4.307
   71    H    ILE  10           H        ILE  10  20.448   6.412  -3.549
   72    HA   ILE  10           HA       ILE  10  20.133   9.052  -4.819
   73    HB   ILE  10           HB       ILE  10  21.035   8.313  -2.018
   74   1HG1  ILE  10          1HG1      ILE  10  18.354   9.463  -2.772
   75   2HG1  ILE  10          2HG1      ILE  10  18.625   7.722  -2.859
   76   1HG2  ILE  10          1HG2      ILE  10  21.571  10.641  -3.163
   77   2HG2  ILE  10          2HG2      ILE  10  19.871  10.959  -2.815
   78   3HG2  ILE  10          3HG2      ILE  10  20.984  10.578  -1.501
   79   1HD1  ILE  10          1HD1      ILE  10  19.471   9.154  -0.372
   80   2HD1  ILE  10          2HD1      ILE  10  17.749   8.862  -0.619
   81   3HD1  ILE  10          3HD1      ILE  10  18.875   7.506  -0.569
   82    H    THR  11           H        THR  11  22.640   6.815  -3.839
   83    HA   THR  11           HA       THR  11  24.769   8.791  -4.338
   84    HB   THR  11           HB       THR  11  26.292   6.994  -3.642
   85    HG1  THR  11           HG1      THR  11  25.391   5.177  -4.414
   86   1HG2  THR  11          1HG2      THR  11  24.882   8.363  -1.971
   87   2HG2  THR  11          2HG2      THR  11  23.919   6.898  -1.781
   88   3HG2  THR  11          3HG2      THR  11  25.635   6.884  -1.372
   89    H    ASP  12           H        ASP  12  22.975   7.928  -6.526
   90    HA   ASP  12           HA       ASP  12  24.455   6.085  -8.210
   91   1HB   ASP  12          1HB       ASP  12  21.965   6.546  -8.349
   92   2HB   ASP  12          2HB       ASP  12  22.370   8.097  -9.086
   93    H    ALA  13           H        ALA  13  23.660   9.507  -8.892
   94    HA   ALA  13           HA       ALA  13  26.291   9.714 -10.261
   95   1HB   ALA  13          1HB       ALA  13  24.095  10.241 -11.482
   96   2HB   ALA  13          2HB       ALA  13  24.014  11.685 -10.472
   97   3HB   ALA  13          3HB       ALA  13  25.366  11.460 -11.581
   98    H    PHE  14           H        PHE  14  25.301  10.184  -7.275
   99    HA   PHE  14           HA       PHE  14  25.980  12.960  -6.789
  100   1HB   PHE  14          1HB       PHE  14  24.583  11.303  -5.324
  101   2HB   PHE  14          2HB       PHE  14  26.153  10.804  -4.698
  102    HD1  PHE  14           HD1      PHE  14  25.096  14.220  -5.801
  103    HD2  PHE  14           HD2      PHE  14  26.152  11.677  -2.501
  104    HE1  PHE  14           HE1      PHE  14  25.126  16.186  -4.295
  105    HE2  PHE  14           HE2      PHE  14  26.177  13.646  -0.995
  106    HZ   PHE  14           HZ       PHE  14  25.663  15.900  -1.892
  107    H    SER  15           H        SER  15  27.659  10.004  -5.719
  108    HA   SER  15           HA       SER  15  30.234  11.243  -6.492
  109   1HB   SER  15          1HB       SER  15  29.483  11.551  -3.942
  110   2HB   SER  15          2HB       SER  15  30.117   9.912  -3.818
  111    HG   SER  15           HG       SER  15  31.736  11.488  -3.461
  112    HA   PRO  16           HA       PRO  16  30.110   6.738  -7.495
  113   1HB   PRO  16          1HB       PRO  16  30.174   7.047 -10.203
  114   2HB   PRO  16          2HB       PRO  16  28.672   7.051  -9.265
  115   1HG   PRO  16          1HG       PRO  16  29.961   9.256 -10.665
  116   2HG   PRO  16          2HG       PRO  16  28.334   9.169  -9.974
  117   1HD   PRO  16          1HD       PRO  16  30.734  10.392  -8.846
  118   2HD   PRO  16          2HD       PRO  16  29.055  10.521  -8.297
  119    H    GLN  17           H        GLN  17  31.815   8.877  -9.808
  120    HA   GLN  17           HA       GLN  17  34.080   7.189 -10.092
  121   1HB   GLN  17          1HB       GLN  17  33.269   9.774 -11.009
  122   2HB   GLN  17          2HB       GLN  17  34.920   9.900 -10.398
  123   1HG   GLN  17          1HG       GLN  17  35.698   8.179 -11.859
  124   2HG   GLN  17          2HG       GLN  17  34.054   7.692 -12.275
  125   1HE2  GLN  17          2HE2      GLN  17  33.324   8.519 -14.237
  126   2HE2  GLN  17          1HE2      GLN  17  33.898   9.937 -14.973
  127    H    VAL  18           H        VAL  18  33.498   9.901  -7.885
  128    HA   VAL  18           HA       VAL  18  36.121   9.751  -6.641
  129    HB   VAL  18           HB       VAL  18  33.513  10.967  -5.739
  130   1HG1  VAL  18          1HG1      VAL  18  36.133  10.658  -4.407
  131   2HG1  VAL  18          2HG1      VAL  18  35.472  12.293  -4.373
  132   3HG1  VAL  18          3HG1      VAL  18  34.542  10.952  -3.703
  133   1HG2  VAL  18          1HG2      VAL  18  35.916  11.946  -7.250
  134   2HG2  VAL  18          2HG2      VAL  18  34.208  12.248  -7.567
  135   3HG2  VAL  18          3HG2      VAL  18  35.018  13.079  -6.239
  136    H    LEU  19           H        LEU  19  33.171   7.998  -6.328
  137    HA   LEU  19           HA       LEU  19  33.448   7.151  -3.593
  138   1HB   LEU  19          1HB       LEU  19  31.621   6.694  -5.666
  139   2HB   LEU  19          2HB       LEU  19  32.313   5.106  -5.339
  140    HG   LEU  19           HG       LEU  19  31.041   6.967  -3.313
  141   1HD1  LEU  19          1HD1      LEU  19  29.563   5.600  -4.884
  142   2HD1  LEU  19          2HD1      LEU  19  30.239   4.163  -4.116
  143   3HD1  LEU  19          3HD1      LEU  19  29.313   5.321  -3.160
  144   1HD2  LEU  19          1HD2      LEU  19  33.105   5.104  -2.923
  145   2HD2  LEU  19          2HD2      LEU  19  32.071   5.801  -1.676
  146   3HD2  LEU  19          3HD2      LEU  19  31.637   4.264  -2.424
  147    H    ALA  20           H        ALA  20  34.496   5.679  -6.669
  148    HA   ALA  20           HA       ALA  20  35.832   3.443  -5.416
  149   1HB   ALA  20          1HB       ALA  20  35.187   4.188  -8.021
  150   2HB   ALA  20          2HB       ALA  20  36.947   4.290  -7.985
  151   3HB   ALA  20          3HB       ALA  20  36.143   2.779  -7.561
  152    H    ALA  21           H        ALA  21  37.051   6.427  -6.919
  153    HA   ALA  21           HA       ALA  21  39.781   6.190  -6.392
  154   1HB   ALA  21          1HB       ALA  21  38.302   8.135  -7.462
  155   2HB   ALA  21          2HB       ALA  21  38.450   8.822  -5.845
  156   3HB   ALA  21          3HB       ALA  21  39.897   8.483  -6.794
  157    H    VAL  22           H        VAL  22  37.404   7.755  -4.292
  158    HA   VAL  22           HA       VAL  22  39.030   8.292  -2.080
  159    HB   VAL  22           HB       VAL  22  36.093   7.654  -2.362
  160   1HG1  VAL  22          1HG1      VAL  22  37.718   7.714   0.133
  161   2HG1  VAL  22          2HG1      VAL  22  36.203   8.618   0.161
  162   3HG1  VAL  22          3HG1      VAL  22  36.194   6.891  -0.198
  163   1HG2  VAL  22          1HG2      VAL  22  37.211   9.880  -3.007
  164   2HG2  VAL  22          2HG2      VAL  22  35.826   9.980  -1.920
  165   3HG2  VAL  22          3HG2      VAL  22  37.462  10.126  -1.279
  166    H    ILE  23           H        ILE  23  37.161   5.317  -2.736
  167    HA   ILE  23           HA       ILE  23  38.014   3.936  -0.372
  168    HB   ILE  23           HB       ILE  23  37.035   2.971  -3.069
  169   1HG1  ILE  23          1HG1      ILE  23  35.430   4.206  -1.623
  170   2HG1  ILE  23          2HG1      ILE  23  34.969   2.515  -1.819
  171   1HG2  ILE  23          1HG2      ILE  23  38.240   1.487  -0.844
  172   2HG2  ILE  23          2HG2      ILE  23  36.630   0.907  -1.269
  173   3HG2  ILE  23          3HG2      ILE  23  37.900   0.960  -2.492
  174   1HD1  ILE  23          1HD1      ILE  23  36.352   2.133   0.359
  175   2HD1  ILE  23          2HD1      ILE  23  36.170   3.873   0.583
  176   3HD1  ILE  23          3HD1      ILE  23  34.743   2.841   0.494
  177    H    PHE  24           H        PHE  24  39.584   4.450  -3.461
  178    HA   PHE  24           HA       PHE  24  41.462   2.280  -3.253
  179   1HB   PHE  24          1HB       PHE  24  40.938   4.055  -5.202
  180   2HB   PHE  24          2HB       PHE  24  42.306   4.886  -4.467
  181    HD1  PHE  24           HD1      PHE  24  44.316   3.199  -3.792
  182    HD2  PHE  24           HD2      PHE  24  41.440   2.551  -6.918
  183    HE1  PHE  24           HE1      PHE  24  45.884   1.638  -4.912
  184    HE2  PHE  24           HE2      PHE  24  43.010   0.990  -8.037
  185    HZ   PHE  24           HZ       PHE  24  45.231   0.533  -7.034
  186    H    ILE  25           H        ILE  25  41.376   5.571  -1.996
  187    HA   ILE  25           HA       ILE  25  44.059   5.444  -0.874
  188    HB   ILE  25           HB       ILE  25  41.719   7.304  -0.361
  189   1HG1  ILE  25          1HG1      ILE  25  44.312   8.122  -1.599
  190   2HG1  ILE  25          2HG1      ILE  25  43.216   7.151  -2.581
  191   1HG2  ILE  25          1HG2      ILE  25  44.481   7.155   0.825
  192   2HG2  ILE  25          2HG2      ILE  25  43.694   8.720   0.621
  193   3HG2  ILE  25          3HG2      ILE  25  42.946   7.481   1.630
  194   1HD1  ILE  25          1HD1      ILE  25  41.868   9.320  -1.128
  195   2HD1  ILE  25          2HD1      ILE  25  43.067   9.890  -2.290
  196   3HD1  ILE  25          3HD1      ILE  25  41.742   8.855  -2.825
  197    H    TYR  26           H        TYR  26  40.742   4.961   0.401
  198    HA   TYR  26           HA       TYR  26  41.535   4.523   3.123
  199   1HB   TYR  26          1HB       TYR  26  39.187   3.651   1.435
  200   2HB   TYR  26          2HB       TYR  26  39.374   3.036   3.078
  201    HD1  TYR  26           HD1      TYR  26  39.960   6.354   1.425
  202    HD2  TYR  26           HD2      TYR  26  38.038   4.197   4.604
  203    HE1  TYR  26           HE1      TYR  26  39.056   8.483   2.321
  204    HE2  TYR  26           HE2      TYR  26  37.135   6.327   5.502
  205    HH   TYR  26           HH       TYR  26  37.722   9.419   3.827
  206    H    PHE  27           H        PHE  27  40.634   2.122   0.679
  207    HA   PHE  27           HA       PHE  27  41.503  -0.276   1.666
  208   1HB   PHE  27          1HB       PHE  27  41.351   0.962  -0.985
  209   2HB   PHE  27          2HB       PHE  27  42.588  -0.289  -0.891
  210    HD1  PHE  27           HD1      PHE  27  39.192   0.166   0.643
  211    HD2  PHE  27           HD2      PHE  27  41.799  -2.342  -1.670
  212    HE1  PHE  27           HE1      PHE  27  37.424  -1.570   0.536
  213    HE2  PHE  27           HE2      PHE  27  40.032  -4.079  -1.778
  214    HZ   PHE  27           HZ       PHE  27  37.844  -3.693  -0.675
  215    H    ALA  28           H        ALA  28  43.461   2.403   0.608
  216    HA   ALA  28           HA       ALA  28  45.992   1.019   0.621
  217   1HB   ALA  28          1HB       ALA  28  45.163   3.311  -0.464
  218   2HB   ALA  28          2HB       ALA  28  45.838   3.966   1.028
  219   3HB   ALA  28          3HB       ALA  28  46.859   3.034  -0.067
  220    H    ALA  29           H        ALA  29  44.656   3.476   2.902
  221    HA   ALA  29           HA       ALA  29  46.873   2.889   4.719
  222   1HB   ALA  29          1HB       ALA  29  44.639   4.914   4.812
  223   2HB   ALA  29          2HB       ALA  29  45.893   4.775   6.045
  224   3HB   ALA  29          3HB       ALA  29  46.327   5.200   4.389
  225    H    LEU  30           H        LEU  30  43.710   3.712   5.928
  226    HA   LEU  30           HA       LEU  30  43.884   1.329   7.697
  227   1HB   LEU  30          1HB       LEU  30  42.526   2.581   9.282
  228   2HB   LEU  30          2HB       LEU  30  43.913   3.549   8.784
  229    HG   LEU  30           HG       LEU  30  41.803   4.036   6.925
  230   1HD1  LEU  30          1HD1      LEU  30  40.390   3.175   8.865
  231   2HD1  LEU  30          2HD1      LEU  30  40.966   4.566   9.785
  232   3HD1  LEU  30          3HD1      LEU  30  40.016   4.811   8.320
  233   1HD2  LEU  30          1HD2      LEU  30  43.471   5.510   8.898
  234   2HD2  LEU  30          2HD2      LEU  30  43.201   5.839   7.187
  235   3HD2  LEU  30          3HD2      LEU  30  41.990   6.313   8.377
  236    H    SER  31           H        SER  31  42.643   1.075   5.055
  237    HA   SER  31           HA       SER  31  39.772   1.118   5.422
  238   1HB   SER  31          1HB       SER  31  41.570   0.564   3.306
  239   2HB   SER  31          2HB       SER  31  40.521  -0.839   3.482
  240    HG   SER  31           HG       SER  31  38.760   0.445   3.179
  241    HA   PRO  32           HA       PRO  32  40.471  -3.552   6.427
  242   1HB   PRO  32          1HB       PRO  32  43.044  -4.461   6.413
  243   2HB   PRO  32          2HB       PRO  32  42.027  -4.398   4.964
  244   1HG   PRO  32          1HG       PRO  32  44.347  -2.761   5.671
  245   2HG   PRO  32          2HG       PRO  32  43.571  -2.991   4.097
  246   1HD   PRO  32          1HD       PRO  32  43.286  -0.767   5.914
  247   2HD   PRO  32          2HD       PRO  32  42.559  -0.965   4.311
  248    H    ALA  33           H        ALA  33  41.389  -1.018   8.068
  249    HA   ALA  33           HA       ALA  33  42.829  -2.343  10.274
  250   1HB   ALA  33          1HB       ALA  33  41.994   0.491   9.689
  251   2HB   ALA  33          2HB       ALA  33  42.492   0.024  11.315
  252   3HB   ALA  33          3HB       ALA  33  43.614  -0.148   9.966
  253    H    ILE  34           H        ILE  34  39.800  -0.442   9.966
  254    HA   ILE  34           HA       ILE  34  38.801  -1.507  12.491
  255    HB   ILE  34           HB       ILE  34  37.725   0.324  10.360
  256   1HG1  ILE  34          1HG1      ILE  34  38.285   0.478  13.330
  257   2HG1  ILE  34          2HG1      ILE  34  39.059   1.388  12.033
  258   1HG2  ILE  34          1HG2      ILE  34  36.108  -0.856  12.643
  259   2HG2  ILE  34          2HG2      ILE  34  35.583   0.455  11.587
  260   3HG2  ILE  34          3HG2      ILE  34  35.836  -1.160  10.927
  261   1HD1  ILE  34          1HD1      ILE  34  36.560   2.185  11.576
  262   2HD1  ILE  34          2HD1      ILE  34  36.368   1.782  13.282
  263   3HD1  ILE  34          3HD1      ILE  34  37.560   2.984  12.789
  264    H    THR  35           H        THR  35  37.842  -1.889   9.054
  265    HA   THR  35           HA       THR  35  35.902  -3.946   9.621
  266    HB   THR  35           HB       THR  35  36.047  -4.395   7.155
  267    HG1  THR  35           HG1      THR  35  37.427  -3.049   5.969
  268   1HG2  THR  35          1HG2      THR  35  35.766  -1.556   8.152
  269   2HG2  THR  35          2HG2      THR  35  35.386  -2.022   6.493
  270   3HG2  THR  35          3HG2      THR  35  34.485  -2.727   7.834
  271    H    PHE  36           H        PHE  36  39.248  -4.000   9.815
  272    HA   PHE  36           HA       PHE  36  40.186  -6.334   8.689
  273   1HB   PHE  36          1HB       PHE  36  41.336  -4.715  10.363
  274   2HB   PHE  36          2HB       PHE  36  40.703  -5.790  11.608
  275    HD1  PHE  36           HD1      PHE  36  42.449  -6.045   8.287
  276    HD2  PHE  36           HD2      PHE  36  42.074  -7.534  12.300
  277    HE1  PHE  36           HE1      PHE  36  44.312  -7.628   7.874
  278    HE2  PHE  36           HE2      PHE  36  43.937  -9.116  11.885
  279    HZ   PHE  36           HZ       PHE  36  45.056  -9.164   9.673
  280    H    GLY  37           H        GLY  37  39.716  -8.486   8.857
  281   1HA   GLY  37          1HA       GLY  37  37.407  -9.338  10.372
  282   2HA   GLY  37          2HA       GLY  37  38.494 -10.399   9.475
  283    H    GLY  38           H        GLY  38  38.006  -8.766  12.567
  284   1HA   GLY  38          1HA       GLY  38  39.794 -10.805  13.809
  285   2HA   GLY  38          2HA       GLY  38  39.997  -9.104  14.226
  286    H    LEU  39           H        LEU  39  36.752  -9.816  13.594
  287    HA   LEU  39           HA       LEU  39  35.901  -9.228  16.242
  288   1HB   LEU  39          1HB       LEU  39  33.713 -10.366  15.420
  289   2HB   LEU  39          2HB       LEU  39  34.266  -8.920  14.575
  290    HG   LEU  39           HG       LEU  39  35.531 -11.237  13.424
  291   1HD1  LEU  39          1HD1      LEU  39  32.849 -11.695  14.348
  292   2HD1  LEU  39          2HD1      LEU  39  32.840 -11.637  12.586
  293   3HD1  LEU  39          3HD1      LEU  39  33.890 -12.778  13.425
  294   1HD2  LEU  39          1HD2      LEU  39  34.636  -8.783  12.614
  295   2HD2  LEU  39          2HD2      LEU  39  35.070 -10.086  11.508
  296   3HD2  LEU  39          3HD2      LEU  39  33.383  -9.832  11.952
  297    H    LEU  40           H        LEU  40  34.187 -11.093  17.172
  298    HA   LEU  40           HA       LEU  40  35.997 -13.388  17.768
  299   1HB   LEU  40          1HB       LEU  40  33.743 -13.388  19.515
  300   2HB   LEU  40          2HB       LEU  40  35.425 -13.058  19.921
  301    HG   LEU  40           HG       LEU  40  34.921 -10.666  18.987
  302   1HD1  LEU  40          1HD1      LEU  40  32.327 -11.968  18.854
  303   2HD1  LEU  40          2HD1      LEU  40  32.269 -10.551  19.902
  304   3HD1  LEU  40          3HD1      LEU  40  32.813 -10.391  18.232
  305   1HD2  LEU  40          1HD2      LEU  40  34.042 -11.853  21.611
  306   2HD2  LEU  40          2HD2      LEU  40  35.418 -10.802  21.274
  307   3HD2  LEU  40          3HD2      LEU  40  33.785 -10.138  21.289
  308    H    GLY  41           H        GLY  41  34.463 -13.341  15.341
  309   1HA   GLY  41          1HA       GLY  41  32.574 -15.592  15.914
  310   2HA   GLY  41          2HA       GLY  41  32.202 -14.358  14.710
  311    H    GLU  42           H        GLU  42  35.496 -14.915  14.669
  312    HA   GLU  42           HA       GLU  42  35.308 -16.317  12.113
  313   1HB   GLU  42          1HB       GLU  42  37.210 -14.663  13.416
  314   2HB   GLU  42          2HB       GLU  42  37.995 -16.218  13.141
  315   1HG   GLU  42          1HG       GLU  42  36.411 -15.354  10.841
  316   2HG   GLU  42          2HG       GLU  42  37.682 -14.202  11.254
  317    H    LYS  43           H        LYS  43  36.446 -17.077  15.397
  318    HA   LYS  43           HA       LYS  43  36.266 -19.964  14.669
  319   1HB   LYS  43          1HB       LYS  43  38.321 -20.348  16.090
  320   2HB   LYS  43          2HB       LYS  43  38.633 -19.481  14.585
  321   1HG   LYS  43          1HG       LYS  43  39.613 -17.886  15.847
  322   2HG   LYS  43          2HG       LYS  43  37.992 -17.465  16.402
  323   1HD   LYS  43          1HD       LYS  43  38.714 -18.005  18.474
  324   2HD   LYS  43          2HD       LYS  43  38.637 -19.686  17.940
  325   1HE   LYS  43          1HE       LYS  43  40.851 -19.388  18.774
  326   2HE   LYS  43          2HE       LYS  43  41.001 -19.345  17.018
  327   1HZ   LYS  43          1HZ       LYS  43  40.447 -16.777  18.170
  328   2HZ   LYS  43          2HZ       LYS  43  41.905 -17.443  18.726
  329   3HZ   LYS  43          3HZ       LYS  43  41.650 -17.231  17.060
  Start of MODEL    7
    1   1H    ACE   1           HA1      ACE   1  19.468  -0.875 -18.060
    2   2H    ACE   1           HA2      ACE   1  18.938  -2.344 -17.241
    3   3H    ACE   1           HA3      ACE   1  19.924  -2.454 -18.698
    4    H    ARG   2           H        ARG   2  21.746  -0.313 -17.936
    5    HA   ARG   2           HA       ARG   2  23.133  -1.633 -15.635
    6   1HB   ARG   2          1HB       ARG   2  24.445  -0.316 -18.031
    7   2HB   ARG   2          2HB       ARG   2  25.257  -1.181 -16.727
    8   1HG   ARG   2          1HG       ARG   2  24.403  -3.270 -17.416
    9   2HG   ARG   2          2HG       ARG   2  23.143  -2.528 -18.402
   10   1HD   ARG   2          1HD       ARG   2  24.510  -2.634 -20.185
   11   2HD   ARG   2          2HD       ARG   2  25.629  -1.546 -19.364
   12    HE   ARG   2           HE       ARG   2  25.967  -4.415 -19.668
   13   1HH1  ARG   2          1HH2      ARG   2  28.171  -2.359 -19.528
   14   2HH1  ARG   2          2HH2      ARG   2  28.883  -2.711 -17.989
   15   1HH2  ARG   2          1HH1      ARG   2  26.189  -4.588 -16.875
   16   2HH2  ARG   2          2HH1      ARG   2  27.760  -3.971 -16.486
   17    H    TYR   3           H        TYR   3  22.063  -0.005 -14.285
   18    HA   TYR   3           HA       TYR   3  23.670   2.443 -14.107
   19   1HB   TYR   3          1HB       TYR   3  21.216   3.603 -13.827
   20   2HB   TYR   3          2HB       TYR   3  22.152   3.643 -15.319
   21    HD1  TYR   3           HD1      TYR   3  19.536   1.701 -13.493
   22    HD2  TYR   3           HD2      TYR   3  21.360   2.583 -17.281
   23    HE1  TYR   3           HE1      TYR   3  17.750   0.428 -14.650
   24    HE2  TYR   3           HE2      TYR   3  19.574   1.309 -18.438
   25    HH   TYR   3           HH       TYR   3  17.598  -0.834 -16.967
   26    HA   PRO   4           HA       PRO   4  22.355   0.742 -10.022
   27   1HB   PRO   4          1HB       PRO   4  24.874   0.192  -9.139
   28   2HB   PRO   4          2HB       PRO   4  23.913  -0.949 -10.094
   29   1HG   PRO   4          1HG       PRO   4  26.281   0.591 -10.876
   30   2HG   PRO   4          2HG       PRO   4  25.573  -0.845 -11.630
   31   1HD   PRO   4          1HD       PRO   4  25.315   1.897 -12.464
   32   2HD   PRO   4          2HD       PRO   4  24.625   0.452 -13.223
   33    H    TYR   5           H        TYR   5  25.426   2.551 -10.466
   34    HA   TYR   5           HA       TYR   5  25.403   3.931  -8.017
   35   1HB   TYR   5          1HB       TYR   5  26.672   4.297 -10.648
   36   2HB   TYR   5          2HB       TYR   5  26.450   5.799  -9.749
   37    HD1  TYR   5           HD1      TYR   5  27.188   2.276  -8.684
   38    HD2  TYR   5           HD2      TYR   5  28.440   6.385  -8.689
   39    HE1  TYR   5           HE1      TYR   5  29.106   1.694  -7.223
   40    HE2  TYR   5           HE2      TYR   5  30.358   5.802  -7.229
   41    HH   TYR   5           HH       TYR   5  31.708   3.341  -6.867
   42    H    TYR   6           H        TYR   6  23.396   4.361 -10.804
   43    HA   TYR   6           HA       TYR   6  22.589   7.068 -10.469
   44   1HB   TYR   6          1HB       TYR   6  21.984   5.175 -12.272
   45   2HB   TYR   6          2HB       TYR   6  20.549   5.033 -11.257
   46    HD1  TYR   6           HD1      TYR   6  22.657   7.572 -13.028
   47    HD2  TYR   6           HD2      TYR   6  18.773   6.540 -11.513
   48    HE1  TYR   6           HE1      TYR   6  21.704   9.601 -14.089
   49    HE2  TYR   6           HE2      TYR   6  17.820   8.569 -12.573
   50    HH   TYR   6           HH       TYR   6  18.310  10.115 -14.350
   51    H    LEU   7           H        LEU   7  21.268   4.073  -9.041
   52    HA   LEU   7           HA       LEU   7  19.234   5.446  -7.500
   53   1HB   LEU   7          1HB       LEU   7  20.226   2.720  -7.844
   54   2HB   LEU   7          2HB       LEU   7  19.810   3.072  -6.167
   55    HG   LEU   7           HG       LEU   7  17.714   4.219  -7.564
   56   1HD1  LEU   7          1HD1      LEU   7  18.809   2.863  -9.544
   57   2HD1  LEU   7          2HD1      LEU   7  18.024   1.487  -8.767
   58   3HD1  LEU   7          3HD1      LEU   7  17.058   2.851  -9.332
   59   1HD2  LEU   7          1HD2      LEU   7  17.707   2.780  -5.486
   60   2HD2  LEU   7          2HD2      LEU   7  16.398   2.430  -6.615
   61   3HD2  LEU   7          3HD2      LEU   7  17.805   1.369  -6.539
   62    H    SER   8           H        SER   8  22.561   4.505  -6.958
   63    HA   SER   8           HA       SER   8  22.744   4.800  -4.153
   64   1HB   SER   8          1HB       SER   8  24.493   4.164  -6.123
   65   2HB   SER   8          2HB       SER   8  25.037   5.795  -5.739
   66    HG   SER   8           HG       SER   8  26.037   4.202  -4.425
   67    H    ASP   9           H        ASP   9  22.004   7.239  -6.417
   68    HA   ASP   9           HA       ASP   9  23.376   9.489  -5.474
   69   1HB   ASP   9          1HB       ASP   9  21.104  10.684  -6.085
   70   2HB   ASP   9          2HB       ASP   9  22.087   9.941  -7.346
   71    H    ILE  10           H        ILE  10  19.957   9.507  -4.652
   72    HA   ILE  10           HA       ILE  10  20.487  10.774  -2.124
   73    HB   ILE  10           HB       ILE  10  18.102   9.909  -3.664
   74   1HG1  ILE  10          1HG1      ILE  10  19.212  12.215  -3.588
   75   2HG1  ILE  10          2HG1      ILE  10  17.467  12.180  -3.338
   76   1HG2  ILE  10          1HG2      ILE  10  18.115  10.156  -0.653
   77   2HG2  ILE  10          2HG2      ILE  10  16.674  10.529  -1.599
   78   3HG2  ILE  10          3HG2      ILE  10  17.366   8.908  -1.648
   79   1HD1  ILE  10          1HD1      ILE  10  17.825  12.229  -0.887
   80   2HD1  ILE  10          2HD1      ILE  10  19.567  12.302  -1.152
   81   3HD1  ILE  10          3HD1      ILE  10  18.540  13.638  -1.672
   82    H    THR  11           H        THR  11  20.166   7.406  -3.014
   83    HA   THR  11           HA       THR  11  19.328   6.443  -0.436
   84    HB   THR  11           HB       THR  11  20.276   4.255  -1.220
   85    HG1  THR  11           HG1      THR  11  21.989   5.185  -2.428
   86   1HG2  THR  11          1HG2      THR  11  18.316   5.921  -2.691
   87   2HG2  THR  11          2HG2      THR  11  18.883   4.480  -3.534
   88   3HG2  THR  11          3HG2      THR  11  18.115   4.332  -1.953
   89    H    ASP  12           H        ASP  12  22.194   7.953  -1.351
   90    HA   ASP  12           HA       ASP  12  23.891   6.456   0.539
   91   1HB   ASP  12          1HB       ASP  12  25.712   7.748  -0.310
   92   2HB   ASP  12          2HB       ASP  12  24.706   7.359  -1.706
   93    H    ALA  13           H        ALA  13  21.620   8.846   0.851
   94    HA   ALA  13           HA       ALA  13  23.116  10.430   2.841
   95   1HB   ALA  13          1HB       ALA  13  20.753  10.829   1.194
   96   2HB   ALA  13          2HB       ALA  13  20.438  11.241   2.880
   97   3HB   ALA  13          3HB       ALA  13  21.757  12.026   2.012
   98    H    PHE  14           H        PHE  14  20.925   7.765   2.719
   99    HA   PHE  14           HA       PHE  14  19.983   8.126   5.472
  100   1HB   PHE  14          1HB       PHE  14  19.561   6.073   3.320
  101   2HB   PHE  14          2HB       PHE  14  19.131   5.691   4.987
  102    HD1  PHE  14           HD1      PHE  14  18.199   8.256   6.038
  103    HD2  PHE  14           HD2      PHE  14  17.543   6.471   2.188
  104    HE1  PHE  14           HE1      PHE  14  16.100   9.556   5.794
  105    HE2  PHE  14           HE2      PHE  14  15.445   7.769   1.941
  106    HZ   PHE  14           HZ       PHE  14  14.723   9.313   3.743
  107    H    SER  15           H        SER  15  22.643   6.588   3.863
  108    HA   SER  15           HA       SER  15  23.566   5.595   6.494
  109   1HB   SER  15          1HB       SER  15  22.409   3.831   4.811
  110   2HB   SER  15          2HB       SER  15  24.058   3.783   4.194
  111    HG   SER  15           HG       SER  15  24.406   2.517   5.833
  112    HA   PRO  16           HA       PRO  16  26.971   7.535   3.953
  113   1HB   PRO  16          1HB       PRO  16  26.988  10.004   5.108
  114   2HB   PRO  16          2HB       PRO  16  25.983   9.605   3.706
  115   1HG   PRO  16          1HG       PRO  16  25.167  10.163   6.448
  116   2HG   PRO  16          2HG       PRO  16  24.178  10.069   4.983
  117   1HD   PRO  16          1HD       PRO  16  24.561   8.051   7.049
  118   2HD   PRO  16          2HD       PRO  16  23.410   8.061   5.703
  119    H    GLN  17           H        GLN  17  26.471   8.774   7.274
  120    HA   GLN  17           HA       GLN  17  29.210   8.570   8.035
  121   1HB   GLN  17          1HB       GLN  17  26.610   8.802   9.520
  122   2HB   GLN  17          2HB       GLN  17  28.079   8.431  10.425
  123   1HG   GLN  17          1HG       GLN  17  27.759  10.783   8.537
  124   2HG   GLN  17          2HG       GLN  17  27.646  10.881  10.295
  125   1HE2  GLN  17          2HE2      GLN  17  29.700  12.156   8.529
  126   2HE2  GLN  17          1HE2      GLN  17  31.197  11.556   9.058
  127    H    VAL  18           H        VAL  18  26.629   6.215   7.919
  128    HA   VAL  18           HA       VAL  18  27.926   4.255   9.626
  129    HB   VAL  18           HB       VAL  18  25.839   3.818   7.486
  130   1HG1  VAL  18          1HG1      VAL  18  27.041   1.793   8.339
  131   2HG1  VAL  18          2HG1      VAL  18  26.508   2.212   9.967
  132   3HG1  VAL  18          3HG1      VAL  18  25.322   1.790   8.732
  133   1HG2  VAL  18          1HG2      VAL  18  25.145   5.517   9.164
  134   2HG2  VAL  18          2HG2      VAL  18  24.201   4.035   9.309
  135   3HG2  VAL  18          3HG2      VAL  18  25.503   4.366  10.451
  136    H    LEU  19           H        LEU  19  28.141   5.117   6.233
  137    HA   LEU  19           HA       LEU  19  29.365   2.658   5.342
  138   1HB   LEU  19          1HB       LEU  19  28.415   4.684   3.949
  139   2HB   LEU  19          2HB       LEU  19  30.051   5.322   4.124
  140    HG   LEU  19           HG       LEU  19  30.276   2.566   3.429
  141   1HD1  LEU  19          1HD1      LEU  19  28.428   4.154   1.621
  142   2HD1  LEU  19          2HD1      LEU  19  29.136   2.588   1.228
  143   3HD1  LEU  19          3HD1      LEU  19  27.983   2.726   2.555
  144   1HD2  LEU  19          1HD2      LEU  19  31.364   5.082   2.744
  145   2HD2  LEU  19          2HD2      LEU  19  31.938   3.498   2.221
  146   3HD2  LEU  19          3HD2      LEU  19  30.777   4.385   1.234
  147    H    ALA  20           H        ALA  20  30.756   5.824   6.261
  148    HA   ALA  20           HA       ALA  20  33.490   5.162   6.125
  149   1HB   ALA  20          1HB       ALA  20  32.026   6.863   8.169
  150   2HB   ALA  20          2HB       ALA  20  33.777   6.844   7.964
  151   3HB   ALA  20          3HB       ALA  20  32.743   7.427   6.660
  152    H    ALA  21           H        ALA  21  31.210   4.751   8.785
  153    HA   ALA  21           HA       ALA  21  32.864   3.590  10.734
  154   1HB   ALA  21          1HB       ALA  21  30.095   3.944  10.322
  155   2HB   ALA  21          2HB       ALA  21  30.311   2.215  10.591
  156   3HB   ALA  21          3HB       ALA  21  30.876   3.372  11.796
  157    H    VAL  22           H        VAL  22  30.938   1.875   8.285
  158    HA   VAL  22           HA       VAL  22  31.762  -0.743   8.788
  159    HB   VAL  22           HB       VAL  22  31.269   0.576   6.100
  160   1HG1  VAL  22          1HG1      VAL  22  32.493  -1.820   6.429
  161   2HG1  VAL  22          2HG1      VAL  22  30.807  -2.328   6.519
  162   3HG1  VAL  22          3HG1      VAL  22  31.397  -1.478   5.091
  163   1HG2  VAL  22          1HG2      VAL  22  29.570  -0.336   8.301
  164   2HG2  VAL  22          2HG2      VAL  22  29.156   0.662   6.908
  165   3HG2  VAL  22          3HG2      VAL  22  29.148  -1.096   6.767
  166    H    ILE  23           H        ILE  23  33.529   1.853   7.217
  167    HA   ILE  23           HA       ILE  23  35.675   0.113   6.286
  168    HB   ILE  23           HB       ILE  23  35.477   3.129   6.541
  169   1HG1  ILE  23          1HG1      ILE  23  35.394   1.302   4.117
  170   2HG1  ILE  23          2HG1      ILE  23  33.974   2.022   4.876
  171   1HG2  ILE  23          1HG2      ILE  23  37.831   2.100   6.643
  172   2HG2  ILE  23          2HG2      ILE  23  37.548   1.574   4.983
  173   3HG2  ILE  23          3HG2      ILE  23  37.545   3.294   5.377
  174   1HD1  ILE  23          1HD1      ILE  23  36.304   3.625   3.787
  175   2HD1  ILE  23          2HD1      ILE  23  34.815   3.317   2.894
  176   3HD1  ILE  23          3HD1      ILE  23  34.770   4.258   4.384
  177    H    PHE  24           H        PHE  24  35.104   2.189   9.099
  178    HA   PHE  24           HA       PHE  24  37.751   2.080  10.173
  179   1HB   PHE  24          1HB       PHE  24  35.193   3.044  10.999
  180   2HB   PHE  24          2HB       PHE  24  35.789   1.995  12.285
  181    HD1  PHE  24           HD1      PHE  24  37.192   4.563   9.919
  182    HD2  PHE  24           HD2      PHE  24  37.064   3.032  13.931
  183    HE1  PHE  24           HE1      PHE  24  38.747   6.352  10.653
  184    HE2  PHE  24           HE2      PHE  24  38.617   4.820  14.663
  185    HZ   PHE  24           HZ       PHE  24  39.458   6.480  13.025
  186    H    ILE  25           H        ILE  25  34.939  -0.072  10.551
  187    HA   ILE  25           HA       ILE  25  36.396  -1.937  12.258
  188    HB   ILE  25           HB       ILE  25  33.813  -2.296  10.695
  189   1HG1  ILE  25          1HG1      ILE  25  33.536  -2.099  13.560
  190   2HG1  ILE  25          2HG1      ILE  25  34.416  -0.694  12.957
  191   1HG2  ILE  25          1HG2      ILE  25  35.458  -4.121  12.218
  192   2HG2  ILE  25          2HG2      ILE  25  33.902  -3.904  13.019
  193   3HG2  ILE  25          3HG2      ILE  25  33.963  -4.450  11.343
  194   1HD1  ILE  25          1HD1      ILE  25  32.271  -1.240  11.146
  195   2HD1  ILE  25          2HD1      ILE  25  31.616  -1.216  12.783
  196   3HD1  ILE  25          3HD1      ILE  25  32.502   0.178  12.167
  197    H    TYR  26           H        TYR  26  35.771  -1.519   8.815
  198    HA   TYR  26           HA       TYR  26  36.705  -4.132   8.004
  199   1HB   TYR  26          1HB       TYR  26  35.905  -1.634   6.728
  200   2HB   TYR  26          2HB       TYR  26  37.308  -2.343   5.933
  201    HD1  TYR  26           HD1      TYR  26  36.775  -5.246   6.483
  202    HD2  TYR  26           HD2      TYR  26  34.162  -2.095   5.183
  203    HE1  TYR  26           HE1      TYR  26  35.303  -6.917   5.390
  204    HE2  TYR  26           HE2      TYR  26  32.689  -3.764   4.092
  205    HH   TYR  26           HH       TYR  26  33.084  -6.203   3.119
  206    H    PHE  27           H        PHE  27  38.176  -1.269   9.169
  207    HA   PHE  27           HA       PHE  27  40.845  -1.853   8.090
  208   1HB   PHE  27          1HB       PHE  27  39.595   0.459   8.907
  209   2HB   PHE  27          2HB       PHE  27  40.566   0.065  10.326
  210    HD1  PHE  27           HD1      PHE  27  40.918   0.062   6.584
  211    HD2  PHE  27           HD2      PHE  27  42.738   0.898  10.383
  212    HE1  PHE  27           HE1      PHE  27  42.945   0.899   5.428
  213    HE2  PHE  27           HE2      PHE  27  44.767   1.734   9.226
  214    HZ   PHE  27           HZ       PHE  27  44.870   1.734   6.749
  215    H    ALA  28           H        ALA  28  39.036  -2.043  11.098
  216    HA   ALA  28           HA       ALA  28  41.009  -2.772  12.947
  217   1HB   ALA  28          1HB       ALA  28  38.403  -2.491  13.166
  218   2HB   ALA  28          2HB       ALA  28  38.381  -4.229  12.868
  219   3HB   ALA  28          3HB       ALA  28  39.250  -3.584  14.261
  220    H    ALA  29           H        ALA  29  39.123  -4.925  10.839
  221    HA   ALA  29           HA       ALA  29  40.632  -7.292  11.594
  222   1HB   ALA  29          1HB       ALA  29  38.659  -6.686   9.390
  223   2HB   ALA  29          2HB       ALA  29  39.408  -8.270   9.585
  224   3HB   ALA  29          3HB       ALA  29  38.382  -7.617  10.863
  225    H    LEU  30           H        LEU  30  40.493  -5.290   8.666
  226    HA   LEU  30           HA       LEU  30  42.472  -6.742   7.198
  227   1HB   LEU  30          1HB       LEU  30  41.194  -4.059   6.968
  228   2HB   LEU  30          2HB       LEU  30  42.660  -4.352   6.037
  229    HG   LEU  30           HG       LEU  30  40.635  -4.934   4.738
  230   1HD1  LEU  30          1HD1      LEU  30  42.922  -6.531   5.191
  231   2HD1  LEU  30          2HD1      LEU  30  41.557  -7.643   5.089
  232   3HD1  LEU  30          3HD1      LEU  30  41.887  -6.527   3.764
  233   1HD2  LEU  30          1HD2      LEU  30  40.186  -6.800   7.078
  234   2HD2  LEU  30          2HD2      LEU  30  39.085  -5.578   6.442
  235   3HD2  LEU  30          3HD2      LEU  30  39.411  -7.041   5.513
  236    H    SER  31           H        SER  31  43.074  -5.140  10.027
  237    HA   SER  31           HA       SER  31  45.198  -3.421   9.637
  238   1HB   SER  31          1HB       SER  31  45.992  -5.161  11.749
  239   2HB   SER  31          2HB       SER  31  45.275  -3.556  11.865
  240    HG   SER  31           HG       SER  31  44.040  -5.268  12.866
  241    HA   PRO  32           HA       PRO  32  48.300  -7.030   9.047
  242   1HB   PRO  32          1HB       PRO  32  47.453  -9.571   9.562
  243   2HB   PRO  32          2HB       PRO  32  48.009  -8.457  10.821
  244   1HG   PRO  32          1HG       PRO  32  45.327  -9.468  10.340
  245   2HG   PRO  32          2HG       PRO  32  45.944  -8.559  11.728
  246   1HD   PRO  32          1HD       PRO  32  44.435  -7.584   9.415
  247   2HD   PRO  32          2HD       PRO  32  44.771  -6.767  10.949
  248    H    ALA  33           H        ALA  33  45.122  -7.487   7.687
  249    HA   ALA  33           HA       ALA  33  45.964  -9.423   5.680
  250   1HB   ALA  33          1HB       ALA  33  43.491  -8.102   6.461
  251   2HB   ALA  33          2HB       ALA  33  43.675  -8.166   4.709
  252   3HB   ALA  33          3HB       ALA  33  43.724  -9.653   5.655
  253    H    ILE  34           H        ILE  34  45.860  -5.928   5.900
  254    HA   ILE  34           HA       ILE  34  45.914  -5.215   3.178
  255    HB   ILE  34           HB       ILE  34  47.455  -3.299   4.033
  256   1HG1  ILE  34          1HG1      ILE  34  46.607  -3.761   6.766
  257   2HG1  ILE  34          2HG1      ILE  34  47.626  -5.087   6.206
  258   1HG2  ILE  34          1HG2      ILE  34  44.894  -3.347   3.772
  259   2HG2  ILE  34          2HG2      ILE  34  44.842  -3.642   5.510
  260   3HG2  ILE  34          3HG2      ILE  34  45.558  -2.154   4.889
  261   1HD1  ILE  34          1HD1      ILE  34  48.544  -2.361   5.481
  262   2HD1  ILE  34          2HD1      ILE  34  48.626  -2.768   7.195
  263   3HD1  ILE  34          3HD1      ILE  34  49.478  -3.760   6.012
  264    H    THR  35           H        THR  35  48.573  -6.372   5.237
  265    HA   THR  35           HA       THR  35  50.462  -6.149   2.984
  266    HB   THR  35           HB       THR  35  51.326  -5.566   5.174
  267    HG1  THR  35           HG1      THR  35  53.064  -6.504   4.512
  268   1HG2  THR  35          1HG2      THR  35  49.928  -8.070   5.921
  269   2HG2  THR  35          2HG2      THR  35  51.472  -7.786   6.726
  270   3HG2  THR  35          3HG2      THR  35  50.177  -6.595   6.856
  271    H    PHE  36           H        PHE  36  48.394  -8.512   4.417
  272    HA   PHE  36           HA       PHE  36  49.916 -10.821   3.492
  273   1HB   PHE  36          1HB       PHE  36  47.174 -10.420   4.668
  274   2HB   PHE  36          2HB       PHE  36  47.643 -11.979   3.994
  275    HD1  PHE  36           HD1      PHE  36  50.445 -10.136   5.265
  276    HD2  PHE  36           HD2      PHE  36  47.224 -12.724   6.444
  277    HE1  PHE  36           HE1      PHE  36  51.650 -10.683   7.363
  278    HE2  PHE  36           HE2      PHE  36  48.431 -13.269   8.540
  279    HZ   PHE  36           HZ       PHE  36  50.642 -12.249   8.999
  280    H    GLY  37           H        GLY  37  46.516 -10.694   2.691
  281   1HA   GLY  37          1HA       GLY  37  47.276 -11.012  -0.173
  282   2HA   GLY  37          2HA       GLY  37  45.769 -11.584   0.542
  283    H    GLY  38           H        GLY  38  45.044 -10.300  -1.504
  284   1HA   GLY  38          1HA       GLY  38  43.343  -8.394  -1.373
  285   2HA   GLY  38          2HA       GLY  38  44.688  -7.421  -0.776
  286    H    LEU  39           H        LEU  39  43.494  -9.193  -3.605
  287    HA   LEU  39           HA       LEU  39  45.519  -8.722  -5.452
  288   1HB   LEU  39          1HB       LEU  39  43.914  -9.003  -7.157
  289   2HB   LEU  39          2HB       LEU  39  43.210  -9.859  -5.787
  290    HG   LEU  39           HG       LEU  39  42.565  -6.984  -6.506
  291   1HD1  LEU  39          1HD1      LEU  39  41.837  -8.772  -8.186
  292   2HD1  LEU  39          2HD1      LEU  39  40.806  -9.412  -6.905
  293   3HD1  LEU  39          3HD1      LEU  39  40.549  -7.775  -7.509
  294   1HD2  LEU  39          1HD2      LEU  39  41.327  -8.970  -4.572
  295   2HD2  LEU  39          2HD2      LEU  39  42.232  -7.520  -4.138
  296   3HD2  LEU  39          3HD2      LEU  39  40.666  -7.376  -4.935
  297    H    LEU  40           H        LEU  40  46.067  -6.973  -6.832
  298    HA   LEU  40           HA       LEU  40  45.450  -4.327  -5.696
  299   1HB   LEU  40          1HB       LEU  40  47.768  -5.077  -6.485
  300   2HB   LEU  40          2HB       LEU  40  47.149  -4.901  -8.128
  301    HG   LEU  40           HG       LEU  40  46.341  -2.542  -7.012
  302   1HD1  LEU  40          1HD1      LEU  40  49.031  -3.252  -5.800
  303   2HD1  LEU  40          2HD1      LEU  40  48.270  -1.662  -5.738
  304   3HD1  LEU  40          3HD1      LEU  40  47.526  -3.029  -4.908
  305   1HD2  LEU  40          1HD2      LEU  40  48.879  -3.315  -8.460
  306   2HD2  LEU  40          2HD2      LEU  40  47.420  -2.585  -9.130
  307   3HD2  LEU  40          3HD2      LEU  40  48.491  -1.632  -8.104
  308    H    GLY  41           H        GLY  41  45.624  -5.365  -9.118
  309   1HA   GLY  41          1HA       GLY  41  44.343  -4.587 -10.940
  310   2HA   GLY  41          2HA       GLY  41  42.982  -5.006  -9.895
  311    H    GLU  42           H        GLU  42  41.761  -3.158 -10.653
  312    HA   GLU  42           HA       GLU  42  42.819  -0.473 -10.469
  313   1HB   GLU  42          1HB       GLU  42  40.876  -1.123 -11.919
  314   2HB   GLU  42          2HB       GLU  42  39.913  -1.346 -10.458
  315   1HG   GLU  42          1HG       GLU  42  39.784   0.913 -10.028
  316   2HG   GLU  42          2HG       GLU  42  41.361   1.245 -10.746
  317    H    LYS  43           H        LYS  43  41.707  -2.710  -8.146
  318    HA   LYS  43           HA       LYS  43  41.401  -2.504  -5.829
  319   1HB   LYS  43          1HB       LYS  43  43.469  -0.945  -6.269
  320   2HB   LYS  43          2HB       LYS  43  42.313   0.356  -5.983
  321   1HG   LYS  43          1HG       LYS  43  42.937   0.022  -3.803
  322   2HG   LYS  43          2HG       LYS  43  41.707  -1.240  -3.891
  323   1HD   LYS  43          1HD       LYS  43  44.174  -2.274  -4.937
  324   2HD   LYS  43          2HD       LYS  43  44.480  -1.556  -3.355
  325   1HE   LYS  43          1HE       LYS  43  42.125  -2.886  -2.904
  326   2HE   LYS  43          2HE       LYS  43  42.919  -3.957  -4.059
  327   1HZ   LYS  43          1HZ       LYS  43  44.856  -3.134  -2.254
  328   2HZ   LYS  43          2HZ       LYS  43  43.499  -3.567  -1.328
  329   3HZ   LYS  43          3HZ       LYS  43  44.178  -4.684  -2.410
  Start of MODEL    8
    1   1H    ACE   1           HA1      ACE   1  30.754  -5.923 -12.562
    2   2H    ACE   1           HA2      ACE   1  29.473  -6.456 -13.651
    3   3H    ACE   1           HA3      ACE   1  30.282  -7.622 -12.603
    4    H    ARG   2           H        ARG   2  30.294  -6.125 -10.202
    5    HA   ARG   2           HA       ARG   2  27.557  -5.250  -9.627
    6   1HB   ARG   2          1HB       ARG   2  28.373  -8.005  -9.197
    7   2HB   ARG   2          2HB       ARG   2  27.940  -7.230  -7.673
    8   1HG   ARG   2          1HG       ARG   2  25.802  -6.483  -8.665
    9   2HG   ARG   2          2HG       ARG   2  26.230  -7.285 -10.176
   10   1HD   ARG   2          1HD       ARG   2  26.037  -9.428  -9.245
   11   2HD   ARG   2          2HD       ARG   2  26.234  -8.833  -7.597
   12    HE   ARG   2           HE       ARG   2  23.744  -8.538  -9.218
   13   1HH1  ARG   2          1HH2      ARG   2  23.629 -10.403  -6.968
   14   2HH1  ARG   2          2HH2      ARG   2  23.053  -9.424  -5.661
   15   1HH2  ARG   2          1HH1      ARG   2  23.795  -6.424  -7.236
   16   2HH2  ARG   2          2HH1      ARG   2  23.148  -7.169  -5.813
   17    H    TYR   3           H        TYR   3  30.387  -4.303  -9.393
   18    HA   TYR   3           HA       TYR   3  31.123  -4.333  -6.603
   19   1HB   TYR   3          1HB       TYR   3  32.245  -3.397  -9.025
   20   2HB   TYR   3          2HB       TYR   3  32.094  -1.986  -7.978
   21    HD1  TYR   3           HD1      TYR   3  32.587  -5.524  -6.922
   22    HD2  TYR   3           HD2      TYR   3  34.354  -1.629  -7.317
   23    HE1  TYR   3           HE1      TYR   3  34.549  -6.282  -5.609
   24    HE2  TYR   3           HE2      TYR   3  36.318  -2.388  -6.005
   25    HH   TYR   3           HH       TYR   3  37.298  -4.095  -4.986
   26    HA   PRO   4           HA       PRO   4  28.894  -0.057  -6.552
   27   1HB   PRO   4          1HB       PRO   4  27.772   0.827  -8.875
   28   2HB   PRO   4          2HB       PRO   4  29.469   1.102  -8.449
   29   1HG   PRO   4          1HG       PRO   4  28.337  -0.655 -10.496
   30   2HG   PRO   4          2HG       PRO   4  29.996  -0.066 -10.312
   31   1HD   PRO   4          1HD       PRO   4  28.935  -2.652  -9.589
   32   2HD   PRO   4          2HD       PRO   4  30.608  -2.080  -9.477
   33    H    TYR   5           H        TYR   5  27.286  -2.420  -8.671
   34    HA   TYR   5           HA       TYR   5  24.600  -1.594  -8.013
   35   1HB   TYR   5          1HB       TYR   5  25.879  -3.865  -9.416
   36   2HB   TYR   5          2HB       TYR   5  24.318  -4.223  -8.677
   37    HD1  TYR   5           HD1      TYR   5  22.315  -2.803  -9.252
   38    HD2  TYR   5           HD2      TYR   5  26.045  -2.486 -11.357
   39    HE1  TYR   5           HE1      TYR   5  21.167  -1.626 -11.110
   40    HE2  TYR   5           HE2      TYR   5  24.898  -1.310 -13.214
   41    HH   TYR   5           HH       TYR   5  21.884   0.035 -12.954
   42    H    TYR   6           H        TYR   6  26.988  -3.227  -6.220
   43    HA   TYR   6           HA       TYR   6  25.233  -4.912  -4.635
   44   1HB   TYR   6          1HB       TYR   6  28.058  -4.361  -4.820
   45   2HB   TYR   6          2HB       TYR   6  27.547  -4.273  -3.135
   46    HD1  TYR   6           HD1      TYR   6  25.298  -6.209  -3.109
   47    HD2  TYR   6           HD2      TYR   6  29.157  -6.449  -4.981
   48    HE1  TYR   6           HE1      TYR   6  25.193  -8.686  -3.008
   49    HE2  TYR   6           HE2      TYR   6  29.053  -8.925  -4.879
   50    HH   TYR   6           HH       TYR   6  26.160 -10.593  -3.655
   51    H    LEU   7           H        LEU   7  27.117  -2.028  -3.658
   52    HA   LEU   7           HA       LEU   7  25.468  -1.574  -1.321
   53   1HB   LEU   7          1HB       LEU   7  27.603   0.000  -2.749
   54   2HB   LEU   7          2HB       LEU   7  26.706   0.702  -1.401
   55    HG   LEU   7           HG       LEU   7  27.929  -2.027  -1.107
   56   1HD1  LEU   7          1HD1      LEU   7  29.707  -0.496  -1.971
   57   2HD1  LEU   7          2HD1      LEU   7  29.381   0.592  -0.622
   58   3HD1  LEU   7          3HD1      LEU   7  30.008  -1.028  -0.317
   59   1HD2  LEU   7          1HD2      LEU   7  26.379  -1.131   0.612
   60   2HD2  LEU   7          2HD2      LEU   7  28.009  -1.330   1.254
   61   3HD2  LEU   7          3HD2      LEU   7  27.426   0.274   0.810
   62    H    SER   8           H        SER   8  25.599  -0.179  -4.566
   63    HA   SER   8           HA       SER   8  23.530   1.797  -3.976
   64   1HB   SER   8          1HB       SER   8  25.484   1.535  -5.927
   65   2HB   SER   8          2HB       SER   8  23.993   1.207  -6.805
   66    HG   SER   8           HG       SER   8  24.632   3.472  -5.218
   67    H    ASP   9           H        ASP   9  22.991  -1.247  -3.786
   68    HA   ASP   9           HA       ASP   9  21.014  -1.692  -5.894
   69   1HB   ASP   9          1HB       ASP   9  22.425  -3.308  -4.039
   70   2HB   ASP   9          2HB       ASP   9  20.710  -3.493  -3.669
   71    H    ILE  10           H        ILE  10  20.691  -1.737  -2.327
   72    HA   ILE  10           HA       ILE  10  17.870  -0.932  -2.609
   73    HB   ILE  10           HB       ILE  10  18.951  -2.714  -0.976
   74   1HG1  ILE  10          1HG1      ILE  10  16.783  -0.762  -0.147
   75   2HG1  ILE  10          2HG1      ILE  10  16.553  -2.209  -1.129
   76   1HG2  ILE  10          1HG2      ILE  10  20.484  -1.120   0.116
   77   2HG2  ILE  10          2HG2      ILE  10  19.103  -0.160   0.647
   78   3HG2  ILE  10          3HG2      ILE  10  19.334  -1.793   1.272
   79   1HD1  ILE  10          1HD1      ILE  10  17.925  -2.603   1.477
   80   2HD1  ILE  10          2HD1      ILE  10  16.212  -2.192   1.553
   81   3HD1  ILE  10          3HD1      ILE  10  16.737  -3.622   0.664
   82    H    THR  11           H        THR  11  20.894   0.315  -1.292
   83    HA   THR  11           HA       THR  11  19.628   2.758  -0.287
   84    HB   THR  11           HB       THR  11  21.960   3.436   0.248
   85    HG1  THR  11           HG1      THR  11  22.743   2.184  -1.653
   86   1HG2  THR  11          1HG2      THR  11  21.051   0.657   1.013
   87   2HG2  THR  11          2HG2      THR  11  22.457   1.430   1.746
   88   3HG2  THR  11          3HG2      THR  11  20.858   2.151   1.930
   89    H    ASP  12           H        ASP  12  19.611   2.055  -3.273
   90    HA   ASP  12           HA       ASP  12  21.336   3.968  -4.568
   91   1HB   ASP  12          1HB       ASP  12  20.121   3.459  -6.572
   92   2HB   ASP  12          2HB       ASP  12  20.237   1.955  -5.661
   93    H    ALA  13           H        ALA  13  17.851   4.046  -3.729
   94    HA   ALA  13           HA       ALA  13  17.912   6.975  -4.239
   95   1HB   ALA  13          1HB       ALA  13  16.081   5.021  -5.017
   96   2HB   ALA  13          2HB       ALA  13  15.288   5.843  -3.672
   97   3HB   ALA  13          3HB       ALA  13  15.827   6.766  -5.075
   98    H    PHE  14           H        PHE  14  17.788   4.646  -1.725
   99    HA   PHE  14           HA       PHE  14  16.393   6.376   0.177
  100   1HB   PHE  14          1HB       PHE  14  17.807   3.721   0.413
  101   2HB   PHE  14          2HB       PHE  14  17.184   4.577   1.825
  102    HD1  PHE  14           HD1      PHE  14  16.262   2.942  -1.366
  103    HD2  PHE  14           HD2      PHE  14  14.818   4.757   2.249
  104    HE1  PHE  14           HE1      PHE  14  13.985   2.082  -1.845
  105    HE2  PHE  14           HE2      PHE  14  12.540   3.898   1.770
  106    HZ   PHE  14           HZ       PHE  14  12.124   2.561  -0.277
  107    H    SER  15           H        SER  15  19.693   5.007   0.135
  108    HA   SER  15           HA       SER  15  20.597   7.507   1.488
  109   1HB   SER  15          1HB       SER  15  20.724   5.756   3.119
  110   2HB   SER  15          2HB       SER  15  21.436   4.640   1.958
  111    HG   SER  15           HG       SER  15  23.291   5.408   2.543
  112    HA   PRO  16           HA       PRO  16  23.130   7.213  -2.322
  113   1HB   PRO  16          1HB       PRO  16  22.558   9.737  -3.182
  114   2HB   PRO  16          2HB       PRO  16  21.526   8.342  -3.538
  115   1HG   PRO  16          1HG       PRO  16  21.010  10.611  -1.773
  116   2HG   PRO  16          2HG       PRO  16  19.882   9.400  -2.403
  117   1HD   PRO  16          1HD       PRO  16  21.129   9.514   0.219
  118   2HD   PRO  16          2HD       PRO  16  19.873   8.410  -0.363
  119    H    GLN  17           H        GLN  17  22.783  10.395  -0.702
  120    HA   GLN  17           HA       GLN  17  25.492  11.162  -0.994
  121   1HB   GLN  17          1HB       GLN  17  23.201  12.018   0.643
  122   2HB   GLN  17          2HB       GLN  17  24.767  12.326   1.394
  123   1HG   GLN  17          1HG       GLN  17  24.247  14.259   0.061
  124   2HG   GLN  17          2HG       GLN  17  25.498  13.364  -0.804
  125   1HE2  GLN  17          2HE2      GLN  17  21.938  13.838  -0.697
  126   2HE2  GLN  17          1HE2      GLN  17  21.684  13.450  -2.330
  127    H    VAL  18           H        VAL  18  23.933   9.840   1.924
  128    HA   VAL  18           HA       VAL  18  26.256   9.370   3.446
  129    HB   VAL  18           HB       VAL  18  23.639   7.888   3.254
  130   1HG1  VAL  18          1HG1      VAL  18  26.003   7.372   5.073
  131   2HG1  VAL  18          2HG1      VAL  18  24.368   6.837   5.462
  132   3HG1  VAL  18          3HG1      VAL  18  25.180   6.218   4.024
  133   1HG2  VAL  18          1HG2      VAL  18  24.282  10.310   4.366
  134   2HG2  VAL  18          2HG2      VAL  18  22.939   9.299   4.899
  135   3HG2  VAL  18          3HG2      VAL  18  24.486   9.227   5.742
  136    H    LEU  19           H        LEU  19  25.037   7.722   0.631
  137    HA   LEU  19           HA       LEU  19  26.486   5.261   0.910
  138   1HB   LEU  19          1HB       LEU  19  24.675   6.075  -0.868
  139   2HB   LEU  19          2HB       LEU  19  26.114   6.511  -1.787
  140    HG   LEU  19           HG       LEU  19  25.558   4.263  -2.415
  141   1HD1  LEU  19          1HD1      LEU  19  27.991   4.872  -1.735
  142   2HD1  LEU  19          2HD1      LEU  19  27.687   3.869  -0.316
  143   3HD1  LEU  19          3HD1      LEU  19  27.588   3.166  -1.930
  144   1HD2  LEU  19          1HD2      LEU  19  25.230   3.901   0.561
  145   2HD2  LEU  19          2HD2      LEU  19  24.096   3.502  -0.729
  146   3HD2  LEU  19          3HD2      LEU  19  25.534   2.512  -0.483
  147    H    ALA  20           H        ALA  20  27.286   8.250  -0.881
  148    HA   ALA  20           HA       ALA  20  29.901   7.531  -1.687
  149   1HB   ALA  20          1HB       ALA  20  28.640  10.186  -0.983
  150   2HB   ALA  20          2HB       ALA  20  30.305  10.069  -1.553
  151   3HB   ALA  20          3HB       ALA  20  28.979   9.535  -2.587
  152    H    ALA  21           H        ALA  21  28.843   9.281   1.211
  153    HA   ALA  21           HA       ALA  21  31.272   9.708   2.511
  154   1HB   ALA  21          1HB       ALA  21  28.692  10.086   3.195
  155   2HB   ALA  21          2HB       ALA  21  29.023   8.654   4.168
  156   3HB   ALA  21          3HB       ALA  21  29.988  10.114   4.392
  157    H    VAL  22           H        VAL  22  29.200   6.859   2.914
  158    HA   VAL  22           HA       VAL  22  30.935   5.340   4.537
  159    HB   VAL  22           HB       VAL  22  28.824   4.549   2.522
  160   1HG1  VAL  22          1HG1      VAL  22  30.520   2.742   2.640
  161   2HG1  VAL  22          2HG1      VAL  22  30.364   2.723   4.396
  162   3HG1  VAL  22          3HG1      VAL  22  28.999   2.252   3.385
  163   1HG2  VAL  22          1HG2      VAL  22  29.030   4.654   5.542
  164   2HG2  VAL  22          2HG2      VAL  22  27.926   5.554   4.503
  165   3HG2  VAL  22          3HG2      VAL  22  27.722   3.814   4.708
  166    H    ILE  23           H        ILE  23  30.812   5.638   1.001
  167    HA   ILE  23           HA       ILE  23  32.806   3.612   0.503
  168    HB   ILE  23           HB       ILE  23  31.963   5.994  -1.179
  169   1HG1  ILE  23          1HG1      ILE  23  31.068   3.097  -1.095
  170   2HG1  ILE  23          2HG1      ILE  23  30.084   4.525  -0.767
  171   1HG2  ILE  23          1HG2      ILE  23  34.209   4.964  -1.734
  172   2HG2  ILE  23          2HG2      ILE  23  33.362   3.450  -2.048
  173   3HG2  ILE  23          3HG2      ILE  23  33.020   4.873  -3.033
  174   1HD1  ILE  23          1HD1      ILE  23  30.485   5.284  -3.116
  175   2HD1  ILE  23          2HD1      ILE  23  31.334   3.769  -3.423
  176   3HD1  ILE  23          3HD1      ILE  23  29.615   3.752  -3.026
  177    H    PHE  24           H        PHE  24  32.944   6.982   1.389
  178    HA   PHE  24           HA       PHE  24  35.616   7.554   0.567
  179   1HB   PHE  24          1HB       PHE  24  33.727   9.080   1.647
  180   2HB   PHE  24          2HB       PHE  24  34.525   8.633   3.153
  181    HD1  PHE  24           HD1      PHE  24  34.963  10.316  -0.114
  182    HD2  PHE  24           HD2      PHE  24  36.752   9.406   3.684
  183    HE1  PHE  24           HE1      PHE  24  36.758  11.967  -0.563
  184    HE2  PHE  24           HE2      PHE  24  38.546  11.056   3.235
  185    HZ   PHE  24           HZ       PHE  24  38.549  12.337   1.112
  186    H    ILE  25           H        ILE  25  34.267   6.096   3.498
  187    HA   ILE  25           HA       ILE  25  36.847   5.754   4.786
  188    HB   ILE  25           HB       ILE  25  34.275   4.222   5.291
  189   1HG1  ILE  25          1HG1      ILE  25  35.070   6.556   6.963
  190   2HG1  ILE  25          2HG1      ILE  25  34.428   6.916   5.360
  191   1HG2  ILE  25          1HG2      ILE  25  36.704   3.667   6.287
  192   2HG2  ILE  25          2HG2      ILE  25  36.248   4.948   7.409
  193   3HG2  ILE  25          3HG2      ILE  25  35.241   3.508   7.258
  194   1HD1  ILE  25          1HD1      ILE  25  32.678   4.993   6.235
  195   2HD1  ILE  25          2HD1      ILE  25  33.051   5.843   7.734
  196   3HD1  ILE  25          3HD1      ILE  25  32.397   6.729   6.357
  197    H    TYR  26           H        TYR  26  34.718   3.682   2.801
  198    HA   TYR  26           HA       TYR  26  36.297   1.302   3.012
  199   1HB   TYR  26          1HB       TYR  26  33.939   1.645   1.956
  200   2HB   TYR  26          2HB       TYR  26  34.825   2.095   0.498
  201    HD1  TYR  26           HD1      TYR  26  36.291   0.469  -0.644
  202    HD2  TYR  26           HD2      TYR  26  33.938  -0.634   2.778
  203    HE1  TYR  26           HE1      TYR  26  36.660  -1.928  -1.161
  204    HE2  TYR  26           HE2      TYR  26  34.307  -3.031   2.259
  205    HH   TYR  26           HH       TYR  26  36.414  -4.026  -0.426
  206    H    PHE  27           H        PHE  27  36.705   4.275   1.335
  207    HA   PHE  27           HA       PHE  27  38.729   3.289  -0.547
  208   1HB   PHE  27          1HB       PHE  27  37.081   5.597  -0.260
  209   2HB   PHE  27          2HB       PHE  27  38.756   6.141  -0.200
  210    HD1  PHE  27           HD1      PHE  27  40.302   5.688  -2.091
  211    HD2  PHE  27           HD2      PHE  27  36.141   4.629  -2.270
  212    HE1  PHE  27           HE1      PHE  27  40.477   5.409  -4.549
  213    HE2  PHE  27           HE2      PHE  27  36.319   4.350  -4.727
  214    HZ   PHE  27           HZ       PHE  27  38.487   4.740  -5.867
  215    H    ALA  28           H        ALA  28  38.500   4.819   2.558
  216    HA   ALA  28           HA       ALA  28  41.231   5.701   2.757
  217   1HB   ALA  28          1HB       ALA  28  39.174   5.077   4.893
  218   2HB   ALA  28          2HB       ALA  28  40.715   5.881   5.193
  219   3HB   ALA  28          3HB       ALA  28  39.499   6.656   4.178
  220    H    ALA  29           H        ALA  29  39.639   2.985   4.496
  221    HA   ALA  29           HA       ALA  29  42.299   1.845   5.025
  222   1HB   ALA  29          1HB       ALA  29  40.134   2.004   6.585
  223   2HB   ALA  29          2HB       ALA  29  39.827   0.423   5.865
  224   3HB   ALA  29          3HB       ALA  29  41.322   0.712   6.756
  225    H    LEU  30           H        LEU  30  39.249   0.377   3.828
  226    HA   LEU  30           HA       LEU  30  40.762  -1.858   2.719
  227   1HB   LEU  30          1HB       LEU  30  37.836  -1.318   2.237
  228   2HB   LEU  30          2HB       LEU  30  38.673  -2.870   2.293
  229    HG   LEU  30           HG       LEU  30  38.125  -1.004   4.617
  230   1HD1  LEU  30          1HD1      LEU  30  36.795  -3.302   3.489
  231   2HD1  LEU  30          2HD1      LEU  30  37.367  -3.687   5.112
  232   3HD1  LEU  30          3HD1      LEU  30  36.302  -2.304   4.857
  233   1HD2  LEU  30          1HD2      LEU  30  39.809  -3.523   4.457
  234   2HD2  LEU  30          2HD2      LEU  30  40.368  -1.906   4.883
  235   3HD2  LEU  30          3HD2      LEU  30  39.287  -2.780   5.969
  236    H    SER  31           H        SER  31  41.106   0.904   1.515
  237    HA   SER  31           HA       SER  31  39.844   1.015  -1.027
  238   1HB   SER  31          1HB       SER  31  41.879   2.458   0.295
  239   2HB   SER  31          2HB       SER  31  42.573   1.921  -1.230
  240    HG   SER  31           HG       SER  31  41.348   3.308  -2.208
  241    HA   PRO  32           HA       PRO  32  43.435  -1.762  -2.638
  242   1HB   PRO  32          1HB       PRO  32  45.543  -2.202  -0.967
  243   2HB   PRO  32          2HB       PRO  32  45.383  -0.737  -1.952
  244   1HG   PRO  32          1HG       PRO  32  45.212  -1.017   0.938
  245   2HG   PRO  32          2HG       PRO  32  45.296   0.459  -0.036
  246   1HD   PRO  32          1HD       PRO  32  42.943  -0.842   1.140
  247   2HD   PRO  32          2HD       PRO  32  43.098   0.792   0.473
  248    H    ALA  33           H        ALA  33  42.033  -2.341   0.415
  249    HA   ALA  33           HA       ALA  33  42.880  -4.810   1.300
  250   1HB   ALA  33          1HB       ALA  33  40.064  -3.755   0.993
  251   2HB   ALA  33          2HB       ALA  33  40.420  -5.276   1.811
  252   3HB   ALA  33          3HB       ALA  33  41.067  -3.763   2.444
  253    H    ILE  34           H        ILE  34  41.252  -4.137  -1.709
  254    HA   ILE  34           HA       ILE  34  40.078  -6.462  -2.518
  255    HB   ILE  34           HB       ILE  34  41.974  -4.658  -4.019
  256   1HG1  ILE  34          1HG1      ILE  34  39.499  -4.558  -5.195
  257   2HG1  ILE  34          2HG1      ILE  34  39.072  -4.876  -3.514
  258   1HG2  ILE  34          1HG2      ILE  34  40.411  -7.027  -5.091
  259   2HG2  ILE  34          2HG2      ILE  34  41.167  -5.792  -6.097
  260   3HG2  ILE  34          3HG2      ILE  34  42.165  -6.841  -5.090
  261   1HD1  ILE  34          1HD1      ILE  34  41.174  -2.889  -3.662
  262   2HD1  ILE  34          2HD1      ILE  34  39.789  -2.396  -4.635
  263   3HD1  ILE  34          3HD1      ILE  34  39.577  -2.763  -2.924
  264    H    THR  35           H        THR  35  43.507  -6.083  -3.477
  265    HA   THR  35           HA       THR  35  43.803  -8.998  -3.401
  266    HB   THR  35           HB       THR  35  44.882  -7.893  -5.232
  267    HG1  THR  35           HG1      THR  35  46.811  -8.794  -4.994
  268   1HG2  THR  35          1HG2      THR  35  45.706  -6.006  -3.091
  269   2HG2  THR  35          2HG2      THR  35  46.864  -6.270  -4.395
  270   3HG2  THR  35          3HG2      THR  35  45.242  -5.682  -4.761
  271    H    PHE  36           H        PHE  36  44.693  -6.268  -1.387
  272    HA   PHE  36           HA       PHE  36  46.637  -7.802   0.161
  273   1HB   PHE  36          1HB       PHE  36  46.721  -5.295  -0.083
  274   2HB   PHE  36          2HB       PHE  36  45.281  -5.204   0.932
  275    HD1  PHE  36           HD1      PHE  36  48.228  -7.495   1.151
  276    HD2  PHE  36           HD2      PHE  36  46.005  -4.312   2.992
  277    HE1  PHE  36           HE1      PHE  36  49.638  -7.685   3.181
  278    HE2  PHE  36           HE2      PHE  36  47.416  -4.502   5.023
  279    HZ   PHE  36           HZ       PHE  36  49.233  -6.189   5.118
  280    H    GLY  37           H        GLY  37  46.238  -8.990   1.977
  281   1HA   GLY  37          1HA       GLY  37  43.683  -8.659   3.424
  282   2HA   GLY  37          2HA       GLY  37  43.960 -10.234   2.680
  283    H    GLY  38           H        GLY  38  44.791  -8.161   5.325
  284   1HA   GLY  38          1HA       GLY  38  45.563  -9.977   7.180
  285   2HA   GLY  38          2HA       GLY  38  47.029  -9.864   6.202
  286    H    LEU  39           H        LEU  39  44.812  -8.009   8.236
  287    HA   LEU  39           HA       LEU  39  46.548  -5.645   8.204
  288   1HB   LEU  39          1HB       LEU  39  44.926  -4.792   9.912
  289   2HB   LEU  39          2HB       LEU  39  44.146  -5.314   8.419
  290    HG   LEU  39           HG       LEU  39  44.273  -7.629   9.984
  291   1HD1  LEU  39          1HD1      LEU  39  43.741  -5.161  11.627
  292   2HD1  LEU  39          2HD1      LEU  39  42.975  -6.695  12.037
  293   3HD1  LEU  39          3HD1      LEU  39  44.734  -6.562  12.030
  294   1HD2  LEU  39          1HD2      LEU  39  42.034  -5.636   9.509
  295   2HD2  LEU  39          2HD2      LEU  39  42.416  -7.051   8.527
  296   3HD2  LEU  39          3HD2      LEU  39  41.790  -7.256  10.163
  297    H    LEU  40           H        LEU  40  48.050  -5.113   9.761
  298    HA   LEU  40           HA       LEU  40  48.509  -7.138  11.905
  299   1HB   LEU  40          1HB       LEU  40  50.379  -6.654  10.283
  300   2HB   LEU  40          2HB       LEU  40  50.412  -5.001  10.897
  301    HG   LEU  40           HG       LEU  40  52.078  -6.626  11.958
  302   1HD1  LEU  40          1HD1      LEU  40  50.928  -4.431  12.944
  303   2HD1  LEU  40          2HD1      LEU  40  50.256  -5.592  14.089
  304   3HD1  LEU  40          3HD1      LEU  40  52.004  -5.423  13.929
  305   1HD2  LEU  40          1HD2      LEU  40  50.335  -8.484  12.086
  306   2HD2  LEU  40          2HD2      LEU  40  51.259  -8.210  13.563
  307   3HD2  LEU  40          3HD2      LEU  40  49.612  -7.594  13.426
  308    H    GLY  41           H        GLY  41  48.848  -3.601  11.425
  309   1HA   GLY  41          1HA       GLY  41  47.347  -3.093  13.886
  310   2HA   GLY  41          2HA       GLY  41  49.062  -2.694  14.000
  311    H    GLU  42           H        GLU  42  46.667  -0.894  14.000
  312    HA   GLU  42           HA       GLU  42  46.592   0.500  11.474
  313   1HB   GLU  42          1HB       GLU  42  45.862   1.425  14.270
  314   2HB   GLU  42          2HB       GLU  42  45.491   2.311  12.790
  315   1HG   GLU  42          1HG       GLU  42  43.889   0.788  12.111
  316   2HG   GLU  42          2HG       GLU  42  44.659  -0.557  12.955
  317    H    LYS  43           H        LYS  43  48.445   0.944  14.475
  318    HA   LYS  43           HA       LYS  43  49.688   3.412  13.721
  319   1HB   LYS  43          1HB       LYS  43  51.394   2.815  15.434
  320   2HB   LYS  43          2HB       LYS  43  49.749   2.601  16.034
  321   1HG   LYS  43          1HG       LYS  43  49.852   0.221  15.698
  322   2HG   LYS  43          2HG       LYS  43  51.378   0.354  14.824
  323   1HD   LYS  43          1HD       LYS  43  50.998   1.143  17.728
  324   2HD   LYS  43          2HD       LYS  43  51.677  -0.395  17.194
  325   1HE   LYS  43          1HE       LYS  43  53.694   0.595  17.072
  326   2HE   LYS  43          2HE       LYS  43  53.071   1.610  15.770
  327   1HZ   LYS  43          1HZ       LYS  43  52.836   2.203  18.672
  328   2HZ   LYS  43          2HZ       LYS  43  53.949   2.924  17.611
  329   3HZ   LYS  43          3HZ       LYS  43  52.286   3.189  17.403
  Start of MODEL    9
    1   1H    ACE   1           HA1      ACE   1  17.934   1.673 -12.699
    2   2H    ACE   1           HA2      ACE   1  19.615   1.615 -12.168
    3   3H    ACE   1           HA3      ACE   1  18.889   3.155 -12.627
    4    H    ARG   2           H        ARG   2  19.681   1.226 -10.010
    5    HA   ARG   2           HA       ARG   2  17.477   2.166  -8.280
    6   1HB   ARG   2          1HB       ARG   2  18.414   0.745  -6.587
    7   2HB   ARG   2          2HB       ARG   2  18.496  -0.158  -8.098
    8   1HG   ARG   2          1HG       ARG   2  20.862   1.532  -7.438
    9   2HG   ARG   2          2HG       ARG   2  20.611   0.100  -6.445
   10   1HD   ARG   2          1HD       ARG   2  21.191  -1.297  -8.125
   11   2HD   ARG   2          2HD       ARG   2  20.225  -0.411  -9.305
   12    HE   ARG   2           HE       ARG   2  22.917   0.576  -8.454
   13   1HH1  ARG   2          1HH2      ARG   2  22.451  -1.457 -10.772
   14   2HH1  ARG   2          2HH2      ARG   2  22.549  -0.385 -12.129
   15   1HH2  ARG   2          1HH1      ARG   2  22.207   2.490 -10.219
   16   2HH2  ARG   2          2HH1      ARG   2  22.407   1.851 -11.817
   17    H    TYR   3           H        TYR   3  18.693   2.745  -5.906
   18    HA   TYR   3           HA       TYR   3  21.020   4.287  -5.865
   19   1HB   TYR   3          1HB       TYR   3  19.097   5.543  -7.502
   20   2HB   TYR   3          2HB       TYR   3  19.114   6.459  -5.995
   21    HD1  TYR   3           HD1      TYR   3  21.656   6.666  -4.989
   22    HD2  TYR   3           HD2      TYR   3  20.582   6.300  -9.132
   23    HE1  TYR   3           HE1      TYR   3  23.811   7.707  -5.639
   24    HE2  TYR   3           HE2      TYR   3  22.737   7.343  -9.781
   25    HH   TYR   3           HH       TYR   3  25.275   7.479  -8.151
   26    HA   PRO   4           HA       PRO   4  18.105   5.595  -2.250
   27   1HB   PRO   4          1HB       PRO   4  15.430   5.147  -2.535
   28   2HB   PRO   4          2HB       PRO   4  16.243   6.607  -3.121
   29   1HG   PRO   4          1HG       PRO   4  15.116   4.373  -4.646
   30   2HG   PRO   4          2HG       PRO   4  15.537   6.005  -5.184
   31   1HD   PRO   4          1HD       PRO   4  17.045   3.580  -5.545
   32   2HD   PRO   4          2HD       PRO   4  17.445   5.212  -6.105
   33    H    TYR   5           H        TYR   5  17.242   2.553  -3.839
   34    HA   TYR   5           HA       TYR   5  16.300   1.268  -1.407
   35   1HB   TYR   5          1HB       TYR   5  15.969   0.641  -3.975
   36   2HB   TYR   5          2HB       TYR   5  17.412  -0.326  -3.677
   37    HD1  TYR   5           HD1      TYR   5  13.963   0.344  -2.420
   38    HD2  TYR   5           HD2      TYR   5  17.287  -2.376  -2.493
   39    HE1  TYR   5           HE1      TYR   5  12.578  -1.378  -1.294
   40    HE2  TYR   5           HE2      TYR   5  15.902  -4.098  -1.367
   41    HH   TYR   5           HH       TYR   5  12.513  -3.432  -0.465
   42    H    TYR   6           H        TYR   6  19.377   2.087  -2.587
   43    HA   TYR   6           HA       TYR   6  20.906  -0.128  -1.564
   44   1HB   TYR   6          1HB       TYR   6  21.490   2.021  -3.120
   45   2HB   TYR   6          2HB       TYR   6  22.176   2.547  -1.582
   46    HD1  TYR   6           HD1      TYR   6  22.034  -0.484  -3.794
   47    HD2  TYR   6           HD2      TYR   6  24.327   1.853  -1.013
   48    HE1  TYR   6           HE1      TYR   6  23.984  -1.973  -4.151
   49    HE2  TYR   6           HE2      TYR   6  26.278   0.363  -1.371
   50    HH   TYR   6           HH       TYR   6  26.051  -2.488  -3.492
   51    H    LEU   7           H        LEU   7  20.251   3.122  -0.203
   52    HA   LEU   7           HA       LEU   7  21.605   2.604   2.277
   53   1HB   LEU   7          1HB       LEU   7  20.270   4.781   1.072
   54   2HB   LEU   7          2HB       LEU   7  19.438   4.484   2.600
   55    HG   LEU   7           HG       LEU   7  22.379   4.329   2.771
   56   1HD1  LEU   7          1HD1      LEU   7  20.977   6.745   1.717
   57   2HD1  LEU   7          2HD1      LEU   7  22.231   6.999   2.930
   58   3HD1  LEU   7          3HD1      LEU   7  22.620   6.180   1.418
   59   1HD2  LEU   7          1HD2      LEU   7  20.834   4.253   4.714
   60   2HD2  LEU   7          2HD2      LEU   7  21.937   5.625   4.815
   61   3HD2  LEU   7          3HD2      LEU   7  20.265   5.873   4.311
   62    H    SER   8           H        SER   8  18.196   2.288   1.298
   63    HA   SER   8           HA       SER   8  17.041   1.708   3.788
   64   1HB   SER   8          1HB       SER   8  16.142   1.663   1.210
   65   2HB   SER   8          2HB       SER   8  16.165  -0.058   1.582
   66    HG   SER   8           HG       SER   8  15.108   0.777   3.655
   67    H    ASP   9           H        ASP   9  19.073  -0.327   1.758
   68    HA   ASP   9           HA       ASP   9  18.557  -2.760   3.269
   69   1HB   ASP   9          1HB       ASP   9  20.449  -1.920   1.107
   70   2HB   ASP   9          2HB       ASP   9  20.826  -3.373   2.033
   71    H    ILE  10           H        ILE  10  20.932  -0.158   3.392
   72    HA   ILE  10           HA       ILE  10  22.843  -1.403   5.084
   73    HB   ILE  10           HB       ILE  10  22.009   1.489   4.776
   74   1HG1  ILE  10          1HG1      ILE  10  23.132   0.284   2.868
   75   2HG1  ILE  10          2HG1      ILE  10  24.055   1.655   3.485
   76   1HG2  ILE  10          1HG2      ILE  10  23.909   0.194   6.669
   77   2HG2  ILE  10          2HG2      ILE  10  24.460   1.666   5.869
   78   3HG2  ILE  10          3HG2      ILE  10  22.991   1.689   6.844
   79   1HD1  ILE  10          1HD1      ILE  10  25.280  -0.013   4.980
   80   2HD1  ILE  10          2HD1      ILE  10  24.525  -1.285   4.020
   81   3HD1  ILE  10          3HD1      ILE  10  25.623  -0.136   3.255
   82    H    THR  11           H        THR  11  19.621  -0.385   5.772
   83    HA   THR  11           HA       THR  11  20.132  -0.156   8.665
   84    HB   THR  11           HB       THR  11  17.904   0.614   8.867
   85    HG1  THR  11           HG1      THR  11  16.565   0.357   6.829
   86   1HG2  THR  11          1HG2      THR  11  19.383   2.151   7.601
   87   2HG2  THR  11          2HG2      THR  11  18.814   1.431   6.095
   88   3HG2  THR  11          3HG2      THR  11  17.693   2.318   7.127
   89    H    ASP  12           H        ASP  12  17.918  -2.143   6.651
   90    HA   ASP  12           HA       ASP  12  17.223  -3.960   8.719
   91   1HB   ASP  12          1HB       ASP  12  16.448  -3.601   6.130
   92   2HB   ASP  12          2HB       ASP  12  17.388  -5.088   5.993
   93    H    ALA  13           H        ALA  13  19.825  -4.143   6.303
   94    HA   ALA  13           HA       ALA  13  20.871  -6.553   7.674
   95   1HB   ALA  13          1HB       ALA  13  20.582  -6.576   5.165
   96   2HB   ALA  13          2HB       ALA  13  21.819  -5.322   5.071
   97   3HB   ALA  13          3HB       ALA  13  22.226  -6.916   5.704
   98    H    PHE  14           H        PHE  14  21.069  -4.174   9.057
   99    HA   PHE  14           HA       PHE  14  23.136  -2.429   8.898
  100   1HB   PHE  14          1HB       PHE  14  21.594  -2.919  10.904
  101   2HB   PHE  14          2HB       PHE  14  22.818  -4.082  11.407
  102    HD1  PHE  14           HD1      PHE  14  24.620  -1.662   9.696
  103    HD2  PHE  14           HD2      PHE  14  22.467  -2.190  13.378
  104    HE1  PHE  14           HE1      PHE  14  25.930   0.172  10.729
  105    HE2  PHE  14           HE2      PHE  14  23.779  -0.357  14.407
  106    HZ   PHE  14           HZ       PHE  14  25.510   0.824  13.084
  107    H    SER  15           H        SER  15  23.466  -5.875   9.542
  108    HA   SER  15           HA       SER  15  25.426  -7.184   9.886
  109   1HB   SER  15          1HB       SER  15  25.506  -7.508   7.632
  110   2HB   SER  15          2HB       SER  15  25.435  -5.784   7.280
  111    HG   SER  15           HG       SER  15  27.488  -6.177   6.841
  112    HA   PRO  16           HA       PRO  16  28.262  -4.160  11.812
  113   1HB   PRO  16          1HB       PRO  16  28.300  -5.416  14.234
  114   2HB   PRO  16          2HB       PRO  16  27.047  -4.253  13.769
  115   1HG   PRO  16          1HG       PRO  16  26.827  -7.137  14.149
  116   2HG   PRO  16          2HG       PRO  16  25.546  -5.925  14.001
  117   1HD   PRO  16          1HD       PRO  16  26.566  -7.740  11.969
  118   2HD   PRO  16          2HD       PRO  16  25.157  -6.670  11.893
  119    H    GLN  17           H        GLN  17  28.434  -7.576  12.887
  120    HA   GLN  17           HA       GLN  17  31.261  -7.718  12.999
  121   1HB   GLN  17          1HB       GLN  17  29.139  -9.488  13.406
  122   2HB   GLN  17          2HB       GLN  17  30.047 -10.210  12.077
  123   1HG   GLN  17          1HG       GLN  17  32.120 -10.061  13.399
  124   2HG   GLN  17          2HG       GLN  17  31.225  -9.321  14.727
  125   1HE2  GLN  17          2HE2      GLN  17  32.662 -11.951  14.725
  126   2HE2  GLN  17          1HE2      GLN  17  31.489 -13.113  15.116
  127    H    VAL  18           H        VAL  18  29.066  -8.685  10.377
  128    HA   VAL  18           HA       VAL  18  31.087  -9.344   8.466
  129    HB   VAL  18           HB       VAL  18  28.254  -8.362   8.128
  130   1HG1  VAL  18          1HG1      VAL  18  30.376  -8.742   6.187
  131   2HG1  VAL  18          2HG1      VAL  18  29.045  -9.857   5.881
  132   3HG1  VAL  18          3HG1      VAL  18  28.744  -8.120   5.938
  133   1HG2  VAL  18          1HG2      VAL  18  29.553 -10.961   8.644
  134   2HG2  VAL  18          2HG2      VAL  18  27.892 -10.456   8.953
  135   3HG2  VAL  18          3HG2      VAL  18  28.366 -10.990   7.340
  136    H    LEU  19           H        LEU  19  29.833  -6.300   9.585
  137    HA   LEU  19           HA       LEU  19  30.446  -4.628   7.372
  138   1HB   LEU  19          1HB       LEU  19  29.313  -3.970   9.581
  139   2HB   LEU  19          2HB       LEU  19  30.933  -3.858  10.260
  140    HG   LEU  19           HG       LEU  19  31.312  -2.404   8.029
  141   1HD1  LEU  19          1HD1      LEU  19  28.387  -2.076   8.760
  142   2HD1  LEU  19          2HD1      LEU  19  29.284  -0.956   7.734
  143   3HD1  LEU  19          3HD1      LEU  19  29.033  -2.622   7.212
  144   1HD2  LEU  19          1HD2      LEU  19  30.436  -1.753  10.802
  145   2HD2  LEU  19          2HD2      LEU  19  31.905  -1.279   9.947
  146   3HD2  LEU  19          3HD2      LEU  19  30.389  -0.437   9.629
  147    H    ALA  20           H        ALA  20  32.490  -5.306  10.228
  148    HA   ALA  20           HA       ALA  20  34.860  -4.090   9.337
  149   1HB   ALA  20          1HB       ALA  20  34.146  -6.226  11.243
  150   2HB   ALA  20          2HB       ALA  20  35.790  -6.339  10.613
  151   3HB   ALA  20          3HB       ALA  20  35.261  -4.873  11.439
  152    H    ALA  21           H        ALA  21  33.890  -7.489   8.935
  153    HA   ALA  21           HA       ALA  21  35.975  -8.494   7.416
  154   1HB   ALA  21          1HB       ALA  21  33.568  -9.453   8.106
  155   2HB   ALA  21          2HB       ALA  21  33.216  -9.059   6.424
  156   3HB   ALA  21          3HB       ALA  21  34.517 -10.185   6.812
  157    H    VAL  22           H        VAL  22  33.135  -6.830   6.139
  158    HA   VAL  22           HA       VAL  22  33.730  -6.782   3.421
  159    HB   VAL  22           HB       VAL  22  32.379  -4.712   5.169
  160   1HG1  VAL  22          1HG1      VAL  22  32.837  -4.772   2.186
  161   2HG1  VAL  22          2HG1      VAL  22  31.431  -3.961   2.876
  162   3HG1  VAL  22          3HG1      VAL  22  33.056  -3.427   3.306
  163   1HG2  VAL  22          1HG2      VAL  22  31.574  -7.115   3.601
  164   2HG2  VAL  22          2HG2      VAL  22  30.904  -6.474   5.101
  165   3HG2  VAL  22          3HG2      VAL  22  30.475  -5.737   3.557
  166    H    ILE  23           H        ILE  23  34.728  -4.337   5.845
  167    HA   ILE  23           HA       ILE  23  36.261  -2.793   3.966
  168    HB   ILE  23           HB       ILE  23  36.696  -2.991   6.960
  169   1HG1  ILE  23          1HG1      ILE  23  35.089  -0.751   5.976
  170   2HG1  ILE  23          2HG1      ILE  23  34.322  -2.309   5.668
  171   1HG2  ILE  23          1HG2      ILE  23  37.437  -1.031   4.800
  172   2HG2  ILE  23          2HG2      ILE  23  37.250  -0.485   6.466
  173   3HG2  ILE  23          3HG2      ILE  23  38.451  -1.714   6.070
  174   1HD1  ILE  23          1HD1      ILE  23  35.370  -2.488   8.277
  175   2HD1  ILE  23          2HD1      ILE  23  34.617  -0.896   8.176
  176   3HD1  ILE  23          3HD1      ILE  23  33.672  -2.343   7.822
  177    H    PHE  24           H        PHE  24  36.973  -5.669   5.821
  178    HA   PHE  24           HA       PHE  24  39.799  -5.592   5.839
  179   1HB   PHE  24          1HB       PHE  24  38.057  -7.399   6.714
  180   2HB   PHE  24          2HB       PHE  24  38.389  -8.152   5.157
  181    HD1  PHE  24           HD1      PHE  24  40.127  -6.708   8.145
  182    HD2  PHE  24           HD2      PHE  24  40.290  -9.484   4.872
  183    HE1  PHE  24           HE1      PHE  24  42.253  -7.627   9.031
  184    HE2  PHE  24           HE2      PHE  24  42.416 -10.403   5.755
  185    HZ   PHE  24           HZ       PHE  24  43.399  -9.474   7.836
  186    H    ILE  25           H        ILE  25  37.547  -6.615   3.287
  187    HA   ILE  25           HA       ILE  25  39.693  -7.302   1.439
  188    HB   ILE  25           HB       ILE  25  36.777  -6.689   0.853
  189   1HG1  ILE  25          1HG1      ILE  25  37.320  -9.459   0.719
  190   2HG1  ILE  25          2HG1      ILE  25  38.051  -8.897   2.223
  191   1HG2  ILE  25          1HG2      ILE  25  38.871  -6.947  -0.910
  192   2HG2  ILE  25          2HG2      ILE  25  38.287  -8.608  -0.801
  193   3HG2  ILE  25          3HG2      ILE  25  37.190  -7.317  -1.294
  194   1HD1  ILE  25          1HD1      ILE  25  35.798  -7.635   2.573
  195   2HD1  ILE  25          2HD1      ILE  25  35.170  -8.751   1.361
  196   3HD1  ILE  25          3HD1      ILE  25  35.842  -9.373   2.868
  197    H    TYR  26           H        TYR  26  37.517  -4.471   1.845
  198    HA   TYR  26           HA       TYR  26  38.493  -2.991  -0.389
  199   1HB   TYR  26          1HB       TYR  26  36.684  -2.517   1.677
  200   2HB   TYR  26          2HB       TYR  26  37.961  -1.336   1.971
  201    HD1  TYR  26           HD1      TYR  26  36.389  -2.815  -1.102
  202    HD2  TYR  26           HD2      TYR  26  37.467   0.744   1.047
  203    HE1  TYR  26           HE1      TYR  26  35.542  -1.428  -2.975
  204    HE2  TYR  26           HE2      TYR  26  36.620   2.132  -0.826
  205    HH   TYR  26           HH       TYR  26  34.688   1.542  -2.823
  206    H    PHE  27           H        PHE  27  39.933  -3.874   2.582
  207    HA   PHE  27           HA       PHE  27  42.019  -1.796   2.483
  208   1HB   PHE  27          1HB       PHE  27  40.832  -3.110   4.553
  209   2HB   PHE  27          2HB       PHE  27  42.259  -4.118   4.316
  210    HD1  PHE  27           HD1      PHE  27  43.802  -1.566   3.103
  211    HD2  PHE  27           HD2      PHE  27  41.751  -2.422   6.779
  212    HE1  PHE  27           HE1      PHE  27  45.192   0.123   4.270
  213    HE2  PHE  27           HE2      PHE  27  43.142  -0.734   7.947
  214    HZ   PHE  27           HZ       PHE  27  44.862   0.539   6.693
  215    H    ALA  28           H        ALA  28  41.528  -5.211   1.902
  216    HA   ALA  28           HA       ALA  28  44.322  -5.836   1.433
  217   1HB   ALA  28          1HB       ALA  28  41.791  -7.238   1.559
  218   2HB   ALA  28          2HB       ALA  28  42.713  -7.757   0.149
  219   3HB   ALA  28          3HB       ALA  28  43.422  -7.877   1.759
  220    H    ALA  29           H        ALA  29  41.582  -6.051  -0.849
  221    HA   ALA  29           HA       ALA  29  43.153  -6.070  -3.198
  222   1HB   ALA  29          1HB       ALA  29  40.345  -5.832  -2.504
  223   2HB   ALA  29          2HB       ALA  29  40.746  -4.807  -3.883
  224   3HB   ALA  29          3HB       ALA  29  41.080  -6.538  -3.943
  225    H    LEU  30           H        LEU  30  41.335  -3.305  -1.845
  226    HA   LEU  30           HA       LEU  30  42.761  -1.471  -3.632
  227   1HB   LEU  30          1HB       LEU  30  40.545  -1.205  -1.627
  228   2HB   LEU  30          2HB       LEU  30  41.391   0.238  -2.185
  229    HG   LEU  30           HG       LEU  30  40.865  -0.296  -4.503
  230   1HD1  LEU  30          1HD1      LEU  30  39.685  -2.805  -3.287
  231   2HD1  LEU  30          2HD1      LEU  30  39.302  -2.264  -4.922
  232   3HD1  LEU  30          3HD1      LEU  30  40.960  -2.692  -4.500
  233   1HD2  LEU  30          1HD2      LEU  30  38.788  -0.007  -2.433
  234   2HD2  LEU  30          2HD2      LEU  30  39.028   0.912  -3.920
  235   3HD2  LEU  30          3HD2      LEU  30  38.185  -0.637  -3.966
  236    H    SER  31           H        SER  31  44.224  -2.946  -1.423
  237    HA   SER  31           HA       SER  31  44.902  -1.059   0.623
  238   1HB   SER  31          1HB       SER  31  45.445  -3.687   0.237
  239   2HB   SER  31          2HB       SER  31  46.990  -2.980  -0.227
  240    HG   SER  31           HG       SER  31  46.465  -3.496   2.123
  241    HA   PRO  32           HA       PRO  32  48.525   0.144  -2.314
  242   1HB   PRO  32          1HB       PRO  32  48.811  -1.287  -4.619
  243   2HB   PRO  32          2HB       PRO  32  49.470  -1.813  -3.061
  244   1HG   PRO  32          1HG       PRO  32  47.280  -2.958  -4.603
  245   2HG   PRO  32          2HG       PRO  32  48.133  -3.628  -3.204
  246   1HD   PRO  32          1HD       PRO  32  45.554  -2.264  -3.287
  247   2HD   PRO  32          2HD       PRO  32  46.293  -3.161  -1.948
  248    H    ALA  33           H        ALA  33  45.336  -0.142  -3.409
  249    HA   ALA  33           HA       ALA  33  45.729   1.371  -5.896
  250   1HB   ALA  33          1HB       ALA  33  43.529  -0.068  -4.584
  251   2HB   ALA  33          2HB       ALA  33  43.025   1.426  -5.373
  252   3HB   ALA  33          3HB       ALA  33  43.848   0.172  -6.301
  253    H    ILE  34           H        ILE  34  44.902   1.977  -2.561
  254    HA   ILE  34           HA       ILE  34  43.741   4.583  -2.922
  255    HB   ILE  34           HB       ILE  34  44.004   4.836  -0.545
  256   1HG1  ILE  34          1HG1      ILE  34  45.919   2.483  -0.639
  257   2HG1  ILE  34          2HG1      ILE  34  46.436   4.166  -0.548
  258   1HG2  ILE  34          1HG2      ILE  34  43.243   2.197  -1.659
  259   2HG2  ILE  34          2HG2      ILE  34  43.532   2.228   0.080
  260   3HG2  ILE  34          3HG2      ILE  34  42.320   3.293  -0.631
  261   1HD1  ILE  34          1HD1      ILE  34  44.483   3.871   1.459
  262   2HD1  ILE  34          2HD1      ILE  34  45.501   2.436   1.577
  263   3HD1  ILE  34          3HD1      ILE  34  46.223   4.042   1.689
  264    H    THR  35           H        THR  35  47.072   3.449  -2.523
  265    HA   THR  35           HA       THR  35  48.087   6.206  -2.409
  266    HB   THR  35           HB       THR  35  49.191   4.409  -1.104
  267    HG1  THR  35           HG1      THR  35  50.736   5.787  -1.466
  268   1HG2  THR  35          1HG2      THR  35  48.810   2.926  -3.432
  269   2HG2  THR  35          2HG2      THR  35  50.552   3.193  -3.372
  270   3HG2  THR  35          3HG2      THR  35  49.731   2.421  -2.015
  271    H    PHE  36           H        PHE  36  46.726   4.725  -4.835
  272    HA   PHE  36           HA       PHE  36  48.862   5.025  -6.843
  273   1HB   PHE  36          1HB       PHE  36  47.684   3.372  -7.830
  274   2HB   PHE  36          2HB       PHE  36  46.400   3.533  -6.639
  275    HD1  PHE  36           HD1      PHE  36  44.747   5.547  -7.003
  276    HD2  PHE  36           HD2      PHE  36  47.248   3.882 -10.072
  277    HE1  PHE  36           HE1      PHE  36  43.261   6.515  -8.736
  278    HE2  PHE  36           HE2      PHE  36  45.763   4.850 -11.808
  279    HZ   PHE  36           HZ       PHE  36  43.768   6.166 -11.139
  280    H    GLY  37           H        GLY  37  46.531   6.972  -5.359
  281   1HA   GLY  37          1HA       GLY  37  46.233   9.307  -5.772
  282   2HA   GLY  37          2HA       GLY  37  47.020   9.103  -7.338
  283    H    GLY  38           H        GLY  38  43.976   8.755  -5.602
  284   1HA   GLY  38          1HA       GLY  38  42.570   8.877  -8.216
  285   2HA   GLY  38          2HA       GLY  38  42.150   7.568  -7.111
  286    H    LEU  39           H        LEU  39  43.071  10.649  -5.803
  287    HA   LEU  39           HA       LEU  39  40.431  10.904  -4.558
  288   1HB   LEU  39          1HB       LEU  39  41.891  13.321  -4.179
  289   2HB   LEU  39          2HB       LEU  39  41.581  12.054  -3.001
  290    HG   LEU  39           HG       LEU  39  43.886  12.032  -4.970
  291   1HD1  LEU  39          1HD1      LEU  39  43.542  13.188  -2.258
  292   2HD1  LEU  39          2HD1      LEU  39  45.026  12.275  -2.530
  293   3HD1  LEU  39          3HD1      LEU  39  44.643  13.660  -3.552
  294   1HD2  LEU  39          1HD2      LEU  39  42.695   9.956  -3.543
  295   2HD2  LEU  39          2HD2      LEU  39  44.332   9.946  -4.201
  296   3HD2  LEU  39          3HD2      LEU  39  44.057  10.430  -2.527
  297    H    LEU  40           H        LEU  40  42.323  13.363  -6.335
  298    HA   LEU  40           HA       LEU  40  39.746  14.306  -7.506
  299   1HB   LEU  40          1HB       LEU  40  42.406  15.750  -7.333
  300   2HB   LEU  40          2HB       LEU  40  40.866  16.442  -7.848
  301    HG   LEU  40           HG       LEU  40  40.745  15.108  -5.231
  302   1HD1  LEU  40          1HD1      LEU  40  43.067  16.114  -5.238
  303   2HD1  LEU  40          2HD1      LEU  40  42.311  17.691  -5.466
  304   3HD1  LEU  40          3HD1      LEU  40  41.991  16.763  -4.001
  305   1HD2  LEU  40          1HD2      LEU  40  39.750  17.565  -6.599
  306   2HD2  LEU  40          2HD2      LEU  40  38.869  16.382  -5.630
  307   3HD2  LEU  40          3HD2      LEU  40  39.855  17.612  -4.839
  308    H    GLY  41           H        GLY  41  43.197  14.033  -8.468
  309   1HA   GLY  41          1HA       GLY  41  42.340  12.854 -11.037
  310   2HA   GLY  41          2HA       GLY  41  43.179  14.402 -11.138
  311    H    GLU  42           H        GLU  42  45.231  13.961 -11.813
  312    HA   GLU  42           HA       GLU  42  46.590  11.502 -10.946
  313   1HB   GLU  42          1HB       GLU  42  46.946  13.517 -13.054
  314   2HB   GLU  42          2HB       GLU  42  48.462  12.995 -12.320
  315   1HG   GLU  42          1HG       GLU  42  48.313  11.250 -13.770
  316   2HG   GLU  42          2HG       GLU  42  47.152  10.606 -12.609
  317    H    LYS  43           H        LYS  43  47.910  14.813 -11.125
  318    HA   LYS  43           HA       LYS  43  49.477  15.831  -9.686
  319   1HB   LYS  43          1HB       LYS  43  48.399  15.390  -7.159
  320   2HB   LYS  43          2HB       LYS  43  47.993  16.725  -8.232
  321   1HG   LYS  43          1HG       LYS  43  46.268  15.128  -9.288
  322   2HG   LYS  43          2HG       LYS  43  46.526  14.110  -7.871
  323   1HD   LYS  43          1HD       LYS  43  45.040  15.394  -6.768
  324   2HD   LYS  43          2HD       LYS  43  46.200  16.720  -6.868
  325   1HE   LYS  43          1HE       LYS  43  44.287  16.071  -9.119
  326   2HE   LYS  43          2HE       LYS  43  43.877  17.196  -7.824
  327   1HZ   LYS  43          1HZ       LYS  43  46.113  18.277  -8.419
  328   2HZ   LYS  43          2HZ       LYS  43  45.968  17.432  -9.886
  329   3HZ   LYS  43          3HZ       LYS  43  44.781  18.557  -9.437
  Start of MODEL   10
    1   1H    ACE   1           HA1      ACE   1  24.612 -14.267   6.394
    2   2H    ACE   1           HA2      ACE   1  25.845 -15.470   6.020
    3   3H    ACE   1           HA3      ACE   1  24.197 -15.686   5.431
    4    H    ARG   2           H        ARG   2  23.432 -14.145   3.783
    5    HA   ARG   2           HA       ARG   2  25.631 -13.385   1.958
    6   1HB   ARG   2          1HB       ARG   2  22.892 -14.227   1.661
    7   2HB   ARG   2          2HB       ARG   2  23.115 -12.671   0.862
    8   1HG   ARG   2          1HG       ARG   2  25.225 -14.740   0.449
    9   2HG   ARG   2          2HG       ARG   2  23.683 -14.974  -0.376
   10   1HD   ARG   2          1HD       ARG   2  24.274 -13.446  -1.918
   11   2HD   ARG   2          2HD       ARG   2  24.419 -12.227  -0.653
   12    HE   ARG   2           HE       ARG   2  26.801 -13.305  -0.352
   13   1HH1  ARG   2          1HH1      ARG   2  25.973 -14.809  -3.008
   14   2HH1  ARG   2          2HH1      ARG   2  26.944 -13.926  -4.137
   15   1HH2  ARG   2          1HH2      ARG   2  27.659 -11.357  -1.919
   16   2HH2  ARG   2          2HH2      ARG   2  27.902 -11.973  -3.519
   17    H    TYR   3           H        TYR   3  25.844 -11.232   1.129
   18    HA   TYR   3           HA       TYR   3  25.963  -8.905   1.424
   19   1HB   TYR   3          1HB       TYR   3  23.139  -9.700   1.475
   20   2HB   TYR   3          2HB       TYR   3  23.444  -8.170   2.299
   21    HD1  TYR   3           HD1      TYR   3  25.319  -9.635  -0.570
   22    HD2  TYR   3           HD2      TYR   3  22.621  -6.569   0.758
   23    HE1  TYR   3           HE1      TYR   3  25.539  -8.493  -2.761
   24    HE2  TYR   3           HE2      TYR   3  22.840  -5.427  -1.432
   25    HH   TYR   3           HH       TYR   3  25.146  -5.754  -3.453
   26    HA   PRO   4           HA       PRO   4  26.277  -9.257   6.053
   27   1HB   PRO   4          1HB       PRO   4  28.981  -9.591   6.175
   28   2HB   PRO   4          2HB       PRO   4  27.843 -10.942   6.035
   29   1HG   PRO   4          1HG       PRO   4  29.714  -9.881   4.050
   30   2HG   PRO   4          2HG       PRO   4  28.878 -11.441   4.087
   31   1HD   PRO   4          1HD       PRO   4  28.199  -9.096   2.550
   32   2HD   PRO   4          2HD       PRO   4  27.402 -10.679   2.548
   33    H    TYR   5           H        TYR   5  29.409  -8.119   4.946
   34    HA   TYR   5           HA       TYR   5  29.149  -5.616   6.348
   35   1HB   TYR   5          1HB       TYR   5  31.120  -6.213   4.132
   36   2HB   TYR   5          2HB       TYR   5  31.326  -5.115   5.497
   37    HD1  TYR   5           HD1      TYR   5  30.896  -6.322   7.884
   38    HD2  TYR   5           HD2      TYR   5  32.182  -8.276   4.281
   39    HE1  TYR   5           HE1      TYR   5  31.850  -8.175   9.229
   40    HE2  TYR   5           HE2      TYR   5  33.136 -10.128   5.626
   41    HH   TYR   5           HH       TYR   5  32.817 -11.130   7.861
   42    H    TYR   6           H        TYR   6  28.252  -6.652   3.179
   43    HA   TYR   6           HA       TYR   6  28.363  -4.136   1.809
   44   1HB   TYR   6          1HB       TYR   6  27.833  -6.687   1.055
   45   2HB   TYR   6          2HB       TYR   6  26.197  -6.030   1.087
   46    HD1  TYR   6           HD1      TYR   6  25.700  -3.908  -0.224
   47    HD2  TYR   6           HD2      TYR   6  29.343  -6.136  -0.694
   48    HE1  TYR   6           HE1      TYR   6  26.106  -2.786  -2.398
   49    HE2  TYR   6           HE2      TYR   6  29.749  -5.013  -2.868
   50    HH   TYR   6           HH       TYR   6  27.335  -2.882  -4.312
   51    H    LEU   7           H        LEU   7  25.464  -5.836   3.044
   52    HA   LEU   7           HA       LEU   7  23.730  -3.593   2.764
   53   1HB   LEU   7          1HB       LEU   7  23.055  -6.012   3.062
   54   2HB   LEU   7          2HB       LEU   7  23.431  -5.834   4.776
   55    HG   LEU   7           HG       LEU   7  21.536  -3.968   3.339
   56   1HD1  LEU   7          1HD1      LEU   7  20.883  -6.497   4.885
   57   2HD1  LEU   7          2HD1      LEU   7  19.704  -5.331   4.284
   58   3HD1  LEU   7          3HD1      LEU   7  20.673  -6.270   3.149
   59   1HD2  LEU   7          1HD2      LEU   7  22.422  -4.477   6.148
   60   2HD2  LEU   7          2HD2      LEU   7  22.039  -2.951   5.351
   61   3HD2  LEU   7          3HD2      LEU   7  20.740  -4.011   5.895
   62    H    SER   8           H        SER   8  25.241  -4.879   5.756
   63    HA   SER   8           HA       SER   8  24.303  -2.877   7.501
   64   1HB   SER   8          1HB       SER   8  26.415  -4.893   7.532
   65   2HB   SER   8          2HB       SER   8  26.841  -3.456   8.457
   66    HG   SER   8           HG       SER   8  25.453  -4.062   9.903
   67    H    ASP   9           H        ASP   9  26.554  -2.533   4.936
   68    HA   ASP   9           HA       ASP   9  27.887  -0.206   6.152
   69   1HB   ASP   9          1HB       ASP   9  28.328  -1.949   3.827
   70   2HB   ASP   9          2HB       ASP   9  28.668  -0.248   3.519
   71    H    ILE  10           H        ILE  10  25.733  -0.851   3.374
   72    HA   ILE  10           HA       ILE  10  25.524   1.911   2.599
   73    HB   ILE  10           HB       ILE  10  23.505  -0.291   2.105
   74   1HG1  ILE  10          1HG1      ILE  10  25.870   0.485   0.374
   75   2HG1  ILE  10          2HG1      ILE  10  25.901  -0.878   1.494
   76   1HG2  ILE  10          1HG2      ILE  10  24.093   2.405   0.909
   77   2HG2  ILE  10          2HG2      ILE  10  23.352   1.145  -0.078
   78   3HG2  ILE  10          3HG2      ILE  10  22.540   1.716   1.380
   79   1HD1  ILE  10          1HD1      ILE  10  23.798  -0.558  -0.660
   80   2HD1  ILE  10          2HD1      ILE  10  25.283  -1.482  -0.889
   81   3HD1  ILE  10          3HD1      ILE  10  24.111  -1.985   0.329
   82    H    THR  11           H        THR  11  24.338   0.386   5.351
   83    HA   THR  11           HA       THR  11  21.833   1.917   5.448
   84    HB   THR  11           HB       THR  11  21.689  -0.240   6.453
   85    HG1  THR  11           HG1      THR  11  20.596   0.708   7.946
   86   1HG2  THR  11          1HG2      THR  11  24.401   0.216   7.144
   87   2HG2  THR  11          2HG2      THR  11  23.527  -0.024   8.654
   88   3HG2  THR  11          3HG2      THR  11  23.458  -1.249   7.390
   89    H    ASP  12           H        ASP  12  24.931   1.943   7.260
   90    HA   ASP  12           HA       ASP  12  24.081   4.429   8.593
   91   1HB   ASP  12          1HB       ASP  12  26.076   2.354   9.065
   92   2HB   ASP  12          2HB       ASP  12  26.750   3.974   9.244
   93    H    ALA  13           H        ALA  13  26.045   3.390   5.932
   94    HA   ALA  13           HA       ALA  13  27.183   6.121   5.658
   95   1HB   ALA  13          1HB       ALA  13  28.524   3.798   5.543
   96   2HB   ALA  13          2HB       ALA  13  28.023   3.901   3.855
   97   3HB   ALA  13          3HB       ALA  13  28.989   5.193   4.569
   98    H    PHE  14           H        PHE  14  24.446   5.744   5.064
   99    HA   PHE  14           HA       PHE  14  23.791   5.098   2.414
  100   1HB   PHE  14          1HB       PHE  14  22.301   5.946   4.416
  101   2HB   PHE  14          2HB       PHE  14  22.566   7.527   3.682
  102    HD1  PHE  14           HD1      PHE  14  21.954   4.058   2.377
  103    HD2  PHE  14           HD2      PHE  14  20.799   8.195   2.324
  104    HE1  PHE  14           HE1      PHE  14  20.218   3.550   0.680
  105    HE2  PHE  14           HE2      PHE  14  19.063   7.688   0.625
  106    HZ   PHE  14           HZ       PHE  14  18.773   5.365  -0.196
  107    H    SER  15           H        SER  15  24.520   8.358   3.635
  108    HA   SER  15           HA       SER  15  24.927  10.312   2.251
  109   1HB   SER  15          1HB       SER  15  27.085  10.384   2.851
  110   2HB   SER  15          2HB       SER  15  27.122   8.631   2.996
  111    HG   SER  15           HG       SER  15  28.506   8.933   1.392
  112    HA   PRO  16           HA       PRO  16  24.184   9.035  -2.038
  113   1HB   PRO  16          1HB       PRO  16  22.447  11.074  -2.547
  114   2HB   PRO  16          2HB       PRO  16  21.962   9.574  -1.739
  115   1HG   PRO  16          1HG       PRO  16  22.196  12.266  -0.636
  116   2HG   PRO  16          2HG       PRO  16  21.411  10.836   0.053
  117   1HD   PRO  16          1HD       PRO  16  24.035  11.932   0.661
  118   2HD   PRO  16          2HD       PRO  16  23.163  10.626   1.476
  119    H    GLN  17           H        GLN  17  24.027  12.556  -1.432
  120    HA   GLN  17           HA       GLN  17  25.426  13.308  -3.779
  121   1HB   GLN  17          1HB       GLN  17  24.138  14.806  -2.114
  122   2HB   GLN  17          2HB       GLN  17  25.637  14.840  -1.183
  123   1HG   GLN  17          1HG       GLN  17  26.732  15.485  -3.477
  124   2HG   GLN  17          2HG       GLN  17  25.090  15.947  -3.924
  125   1HE2  GLN  17          2HE2      GLN  17  27.360  17.799  -3.506
  126   2HE2  GLN  17          1HE2      GLN  17  26.912  18.825  -2.229
  127    H    VAL  18           H        VAL  18  26.616  12.734  -0.492
  128    HA   VAL  18           HA       VAL  18  29.397  13.194  -1.104
  129    HB   VAL  18           HB       VAL  18  27.990  11.649   1.079
  130   1HG1  VAL  18          1HG1      VAL  18  30.286  10.743   0.592
  131   2HG1  VAL  18          2HG1      VAL  18  30.934  12.351   0.919
  132   3HG1  VAL  18          3HG1      VAL  18  30.132  11.446   2.202
  133   1HG2  VAL  18          1HG2      VAL  18  28.783  14.426   0.626
  134   2HG2  VAL  18          2HG2      VAL  18  27.689  13.760   1.840
  135   3HG2  VAL  18          3HG2      VAL  18  29.427  13.788   2.139
  136    H    LEU  19           H        LEU  19  27.232  10.457  -1.504
  137    HA   LEU  19           HA       LEU  19  29.101   8.347  -1.677
  138   1HB   LEU  19          1HB       LEU  19  26.434   8.519  -2.160
  139   2HB   LEU  19          2HB       LEU  19  27.031   8.446  -3.814
  140    HG   LEU  19           HG       LEU  19  28.480   6.457  -2.950
  141   1HD1  LEU  19          1HD1      LEU  19  27.556   7.102  -0.537
  142   2HD1  LEU  19          2HD1      LEU  19  26.225   6.053  -1.025
  143   3HD1  LEU  19          3HD1      LEU  19  27.871   5.422  -0.970
  144   1HD2  LEU  19          1HD2      LEU  19  26.605   6.269  -4.559
  145   2HD2  LEU  19          2HD2      LEU  19  26.634   4.899  -3.449
  146   3HD2  LEU  19          3HD2      LEU  19  25.466   6.201  -3.215
  147    H    ALA  20           H        ALA  20  28.142  10.725  -4.141
  148    HA   ALA  20           HA       ALA  20  29.854   9.705  -6.216
  149   1HB   ALA  20          1HB       ALA  20  28.365  12.242  -5.692
  150   2HB   ALA  20          2HB       ALA  20  29.641  12.281  -6.908
  151   3HB   ALA  20          3HB       ALA  20  28.286  11.167  -7.088
  152    H    ALA  21           H        ALA  21  30.245  12.430  -3.972
  153    HA   ALA  21           HA       ALA  21  32.847  13.223  -4.755
  154   1HB   ALA  21          1HB       ALA  21  31.117  13.509  -2.366
  155   2HB   ALA  21          2HB       ALA  21  32.844  13.676  -2.047
  156   3HB   ALA  21          3HB       ALA  21  32.057  14.734  -3.219
  157    H    VAL  22           H        VAL  22  32.067  11.294  -1.907
  158    HA   VAL  22           HA       VAL  22  34.610  10.377  -1.250
  159    HB   VAL  22           HB       VAL  22  31.935   8.972  -0.975
  160   1HG1  VAL  22          1HG1      VAL  22  34.581   7.985  -0.522
  161   2HG1  VAL  22          2HG1      VAL  22  33.828   8.253   1.050
  162   3HG1  VAL  22          3HG1      VAL  22  33.048   7.205  -0.135
  163   1HG2  VAL  22          1HG2      VAL  22  32.200  11.212   0.128
  164   2HG2  VAL  22          2HG2      VAL  22  31.973   9.897   1.280
  165   3HG2  VAL  22          3HG2      VAL  22  33.581  10.569   1.016
  166    H    ILE  23           H        ILE  23  32.404   9.092  -3.734
  167    HA   ILE  23           HA       ILE  23  34.082   6.737  -4.182
  168    HB   ILE  23           HB       ILE  23  31.787   7.961  -5.739
  169   1HG1  ILE  23          1HG1      ILE  23  31.931   5.334  -4.238
  170   2HG1  ILE  23          2HG1      ILE  23  31.405   6.833  -3.473
  171   1HG2  ILE  23          1HG2      ILE  23  33.535   5.571  -6.304
  172   2HG2  ILE  23          2HG2      ILE  23  31.861   5.610  -6.858
  173   3HG2  ILE  23          3HG2      ILE  23  33.003   6.835  -7.413
  174   1HD1  ILE  23          1HD1      ILE  23  30.130   6.132  -6.073
  175   2HD1  ILE  23          2HD1      ILE  23  29.679   5.156  -4.674
  176   3HD1  ILE  23          3HD1      ILE  23  29.431   6.902  -4.648
  177    H    PHE  24           H        PHE  24  33.916   9.980  -5.392
  178    HA   PHE  24           HA       PHE  24  35.292   9.680  -7.858
  179   1HB   PHE  24          1HB       PHE  24  34.202  11.802  -6.834
  180   2HB   PHE  24          2HB       PHE  24  35.716  12.006  -5.961
  181    HD1  PHE  24           HD1      PHE  24  36.818  10.399  -8.754
  182    HD2  PHE  24           HD2      PHE  24  35.088  14.178  -7.662
  183    HE1  PHE  24           HE1      PHE  24  37.839  11.446 -10.756
  184    HE2  PHE  24           HE2      PHE  24  36.110  15.222  -9.664
  185    HZ   PHE  24           HZ       PHE  24  37.484  13.857 -11.212
  186    H    ILE  25           H        ILE  25  36.584  10.423  -4.607
  187    HA   ILE  25           HA       ILE  25  39.343  10.064  -5.439
  188    HB   ILE  25           HB       ILE  25  38.100   9.972  -2.662
  189   1HG1  ILE  25          1HG1      ILE  25  39.351  12.323  -2.731
  190   2HG1  ILE  25          2HG1      ILE  25  39.058  12.165  -4.463
  191   1HG2  ILE  25          1HG2      ILE  25  40.514   8.996  -3.237
  192   2HG2  ILE  25          2HG2      ILE  25  40.950  10.704  -3.202
  193   3HG2  ILE  25          3HG2      ILE  25  40.239   9.947  -1.777
  194   1HD1  ILE  25          1HD1      ILE  25  36.726  11.473  -2.818
  195   2HD1  ILE  25          2HD1      ILE  25  37.241  13.151  -2.639
  196   3HD1  ILE  25          3HD1      ILE  25  36.833  12.519  -4.234
  197    H    TYR  26           H        TYR  26  36.842   7.964  -4.004
  198    HA   TYR  26           HA       TYR  26  38.591   5.735  -3.504
  199   1HB   TYR  26          1HB       TYR  26  35.904   6.268  -3.076
  200   2HB   TYR  26          2HB       TYR  26  35.866   5.023  -4.327
  201    HD1  TYR  26           HD1      TYR  26  37.066   2.849  -3.959
  202    HD2  TYR  26           HD2      TYR  26  36.587   5.764  -0.841
  203    HE1  TYR  26           HE1      TYR  26  37.618   1.126  -2.264
  204    HE2  TYR  26           HE2      TYR  26  37.141   4.041   0.854
  205    HH   TYR  26           HH       TYR  26  38.673   1.533   0.489
  206    H    PHE  27           H        PHE  27  37.423   7.196  -6.330
  207    HA   PHE  27           HA       PHE  27  37.700   4.815  -8.044
  208   1HB   PHE  27          1HB       PHE  27  36.257   7.220  -8.160
  209   2HB   PHE  27          2HB       PHE  27  37.519   7.400  -9.374
  210    HD1  PHE  27           HD1      PHE  27  37.930   5.160 -10.823
  211    HD2  PHE  27           HD2      PHE  27  34.269   6.207  -8.835
  212    HE1  PHE  27           HE1      PHE  27  36.672   3.672 -12.356
  213    HE2  PHE  27           HE2      PHE  27  33.011   4.718 -10.367
  214    HZ   PHE  27           HZ       PHE  27  34.213   3.449 -12.127
  215    H    ALA  28           H        ALA  28  39.398   7.629  -6.998
  216    HA   ALA  28           HA       ALA  28  41.414   7.545  -9.105
  217   1HB   ALA  28          1HB       ALA  28  40.660   9.303  -6.871
  218   2HB   ALA  28          2HB       ALA  28  42.399   9.203  -7.144
  219   3HB   ALA  28          3HB       ALA  28  41.329   9.715  -8.449
  220    H    ALA  29           H        ALA  29  42.077   7.739  -5.633
  221    HA   ALA  29           HA       ALA  29  44.399   5.971  -6.027
  222   1HB   ALA  29          1HB       ALA  29  44.242   8.214  -4.666
  223   2HB   ALA  29          2HB       ALA  29  43.672   7.151  -3.380
  224   3HB   ALA  29          3HB       ALA  29  45.264   6.895  -4.094
  225    H    LEU  30           H        LEU  30  41.772   6.091  -3.597
  226    HA   LEU  30           HA       LEU  30  42.425   3.521  -2.507
  227   1HB   LEU  30          1HB       LEU  30  39.809   5.029  -2.324
  228   2HB   LEU  30          2HB       LEU  30  40.335   3.725  -1.262
  229    HG   LEU  30           HG       LEU  30  42.056   6.165  -1.635
  230   1HD1  LEU  30          1HD1      LEU  30  39.684   6.817  -0.966
  231   2HD1  LEU  30          2HD1      LEU  30  39.941   5.889   0.512
  232   3HD1  LEU  30          3HD1      LEU  30  40.951   7.293   0.165
  233   1HD2  LEU  30          1HD2      LEU  30  41.759   3.912   0.329
  234   2HD2  LEU  30          2HD2      LEU  30  43.219   4.529  -0.444
  235   3HD2  LEU  30          3HD2      LEU  30  42.463   5.437   0.866
  236    H    SER  31           H        SER  31  41.376   3.906  -5.549
  237    HA   SER  31           HA       SER  31  39.096   2.408  -5.987
  238   1HB   SER  31          1HB       SER  31  41.374   1.570  -7.669
  239   2HB   SER  31          2HB       SER  31  39.808   2.225  -8.140
  240    HG   SER  31           HG       SER  31  41.560   3.672  -8.541
  241    HA   PRO  32           HA       PRO  32  41.549  -1.667  -5.205
  242   1HB   PRO  32          1HB       PRO  32  44.235  -1.459  -4.771
  243   2HB   PRO  32          2HB       PRO  32  43.514  -1.506  -6.388
  244   1HG   PRO  32          1HG       PRO  32  44.826   0.714  -5.036
  245   2HG   PRO  32          2HG       PRO  32  44.352   0.563  -6.736
  246   1HD   PRO  32          1HD       PRO  32  42.968   1.951  -4.566
  247   2HD   PRO  32          2HD       PRO  32  42.657   2.028  -6.310
  248    H    ALA  33           H        ALA  33  42.096   1.053  -3.143
  249    HA   ALA  33           HA       ALA  33  43.295  -0.044  -0.863
  250   1HB   ALA  33          1HB       ALA  33  41.079   1.982  -1.169
  251   2HB   ALA  33          2HB       ALA  33  41.738   1.558   0.411
  252   3HB   ALA  33          3HB       ALA  33  42.783   2.272  -0.818
  253    H    ILE  34           H        ILE  34  40.201  -0.755  -2.218
  254    HA   ILE  34           HA       ILE  34  38.508  -1.575  -0.268
  255    HB   ILE  34           HB       ILE  34  39.353  -3.328  -2.592
  256   1HG1  ILE  34          1HG1      ILE  34  37.140  -1.263  -2.350
  257   2HG1  ILE  34          2HG1      ILE  34  38.648  -1.032  -3.234
  258   1HG2  ILE  34          1HG2      ILE  34  37.796  -4.094  -0.507
  259   2HG2  ILE  34          2HG2      ILE  34  36.580  -3.343  -1.540
  260   3HG2  ILE  34          3HG2      ILE  34  37.559  -4.675  -2.155
  261   1HD1  ILE  34          1HD1      ILE  34  38.047  -3.104  -4.579
  262   2HD1  ILE  34          2HD1      ILE  34  36.452  -3.028  -3.830
  263   3HD1  ILE  34          3HD1      ILE  34  37.009  -1.705  -4.853
  264    H    THR  35           H        THR  35  40.704  -4.117  -1.477
  265    HA   THR  35           HA       THR  35  40.512  -5.591   0.998
  266    HB   THR  35           HB       THR  35  40.967  -6.615  -1.251
  267    HG1  THR  35           HG1      THR  35  42.512  -8.070  -0.413
  268   1HG2  THR  35          1HG2      THR  35  42.702  -4.724  -1.737
  269   2HG2  THR  35          2HG2      THR  35  43.828  -5.771  -0.874
  270   3HG2  THR  35          3HG2      THR  35  43.027  -6.352  -2.334
  271    H    PHE  36           H        PHE  36  42.943  -3.407  -0.366
  272    HA   PHE  36           HA       PHE  36  44.871  -3.879   1.750
  273   1HB   PHE  36          1HB       PHE  36  44.597  -2.017  -0.552
  274   2HB   PHE  36          2HB       PHE  36  45.616  -1.474   0.782
  275    HD1  PHE  36           HD1      PHE  36  47.559  -2.860   1.519
  276    HD2  PHE  36           HD2      PHE  36  45.264  -3.822  -1.982
  277    HE1  PHE  36           HE1      PHE  36  49.377  -4.355   0.739
  278    HE2  PHE  36           HE2      PHE  36  47.081  -5.317  -2.763
  279    HZ   PHE  36           HZ       PHE  36  49.138  -5.584  -1.403
  280    H    GLY  37           H        GLY  37  45.637  -1.742   2.971
  281   1HA   GLY  37          1HA       GLY  37  45.133  -0.285   4.737
  282   2HA   GLY  37          2HA       GLY  37  43.812   0.276   3.711
  283    H    GLY  38           H        GLY  38  44.569  -2.632   5.682
  284   1HA   GLY  38          1HA       GLY  38  43.122  -3.009   7.695
  285   2HA   GLY  38          2HA       GLY  38  41.763  -2.468   6.708
  286    H    LEU  39           H        LEU  39  44.068  -5.086   7.206
  287    HA   LEU  39           HA       LEU  39  43.443  -6.864   5.158
  288   1HB   LEU  39          1HB       LEU  39  44.646  -7.031   7.721
  289   2HB   LEU  39          2HB       LEU  39  43.446  -8.322   7.643
  290    HG   LEU  39           HG       LEU  39  45.494  -9.219   6.755
  291   1HD1  LEU  39          1HD1      LEU  39  43.151  -8.829   5.115
  292   2HD1  LEU  39          2HD1      LEU  39  44.588  -8.885   4.094
  293   3HD1  LEU  39          3HD1      LEU  39  44.229 -10.222   5.187
  294   1HD2  LEU  39          1HD2      LEU  39  46.210  -6.696   6.178
  295   2HD2  LEU  39          2HD2      LEU  39  46.954  -8.080   5.376
  296   3HD2  LEU  39          3HD2      LEU  39  45.664  -7.186   4.574
  297    H    LEU  40           H        LEU  40  41.226  -6.606   4.535
  298    HA   LEU  40           HA       LEU  40  39.206  -7.555   6.515
  299   1HB   LEU  40          1HB       LEU  40  39.202  -5.580   4.342
  300   2HB   LEU  40          2HB       LEU  40  37.805  -6.656   4.309
  301    HG   LEU  40           HG       LEU  40  37.570  -6.162   6.820
  302   1HD1  LEU  40          1HD1      LEU  40  39.445  -3.923   5.997
  303   2HD1  LEU  40          2HD1      LEU  40  38.560  -3.988   7.521
  304   3HD1  LEU  40          3HD1      LEU  40  39.795  -5.196   7.166
  305   1HD2  LEU  40          1HD2      LEU  40  36.662  -4.818   4.507
  306   2HD2  LEU  40          2HD2      LEU  40  35.918  -4.803   6.106
  307   3HD2  LEU  40          3HD2      LEU  40  37.083  -3.555   5.664
  308    H    GLY  41           H        GLY  41  41.022  -9.350   4.989
  309   1HA   GLY  41          1HA       GLY  41  39.168 -10.614   3.047
  310   2HA   GLY  41          2HA       GLY  41  40.865 -11.040   3.272
  311    H    GLU  42           H        GLU  42  41.432 -12.451   4.983
  312    HA   GLU  42           HA       GLU  42  39.589 -14.506   5.611
  313   1HB   GLU  42          1HB       GLU  42  42.312 -14.018   6.048
  314   2HB   GLU  42          2HB       GLU  42  41.626 -14.200   7.662
  315   1HG   GLU  42          1HG       GLU  42  40.794 -16.363   7.193
  316   2HG   GLU  42          2HG       GLU  42  40.969 -16.144   5.451
  317    H    LYS  43           H        LYS  43  40.769 -11.869   7.734
  318    HA   LYS  43           HA       LYS  43  38.176 -11.482   8.924
  319   1HB   LYS  43          1HB       LYS  43  39.172 -13.747   9.877
  320   2HB   LYS  43          2HB       LYS  43  40.098 -12.649  10.901
  321   1HG   LYS  43          1HG       LYS  43  38.299 -12.226  12.183
  322   2HG   LYS  43          2HG       LYS  43  37.330 -11.812  10.769
  323   1HD   LYS  43          1HD       LYS  43  36.351 -13.861  10.693
  324   2HD   LYS  43          2HD       LYS  43  37.863 -14.695  11.060
  325   1HE   LYS  43          1HE       LYS  43  36.649 -13.086  13.251
  326   2HE   LYS  43          2HE       LYS  43  35.832 -14.588  12.818
  327   1HZ   LYS  43          1HZ       LYS  43  38.696 -14.817  12.997
  328   2HZ   LYS  43          2HZ       LYS  43  37.954 -14.398  14.467
  329   3HZ   LYS  43          3HZ       LYS  43  37.486 -15.811  13.648
  Start of MODEL   11
    1   1H    ACE   1           HA1      ACE   1  28.117  -6.622   0.316
    2   2H    ACE   1           HA2      ACE   1  29.224  -7.750   1.097
    3   3H    ACE   1           HA3      ACE   1  28.165  -6.734   2.075
    4    H    ARG   2           H        ARG   2  26.199  -7.573   2.649
    5    HA   ARG   2           HA       ARG   2  25.573 -10.315   1.943
    6   1HB   ARG   2          1HB       ARG   2  24.242  -8.174   3.582
    7   2HB   ARG   2          2HB       ARG   2  23.345  -9.632   3.156
    8   1HG   ARG   2          1HG       ARG   2  24.361 -10.695   4.860
    9   2HG   ARG   2          2HG       ARG   2  25.892 -10.509   4.004
   10   1HD   ARG   2          1HD       ARG   2  25.182  -8.009   5.247
   11   2HD   ARG   2          2HD       ARG   2  25.137  -9.298   6.450
   12    HE   ARG   2           HE       ARG   2  27.533  -9.028   4.699
   13   1HH1  ARG   2          1HH1      ARG   2  26.098  -8.192   7.678
   14   2HH1  ARG   2          2HH1      ARG   2  27.510  -8.527   8.623
   15   1HH2  ARG   2          1HH2      ARG   2  29.320  -9.802   5.955
   16   2HH2  ARG   2          2HH2      ARG   2  29.334  -9.440   7.648
   17    H    TYR   3           H        TYR   3  24.003  -7.177   1.218
   18    HA   TYR   3           HA       TYR   3  23.215  -8.149  -1.415
   19   1HB   TYR   3          1HB       TYR   3  20.794  -7.952  -1.066
   20   2HB   TYR   3          2HB       TYR   3  21.464  -9.165   0.023
   21    HD1  TYR   3           HD1      TYR   3  22.364  -8.141   2.342
   22    HD2  TYR   3           HD2      TYR   3  19.340  -6.380  -0.149
   23    HE1  TYR   3           HE1      TYR   3  21.498  -6.873   4.289
   24    HE2  TYR   3           HE2      TYR   3  18.475  -5.112   1.799
   25    HH   TYR   3           HH       TYR   3  19.864  -4.337   4.246
   26    HA   PRO   4           HA       PRO   4  23.483  -3.498  -0.909
   27   1HB   PRO   4          1HB       PRO   4  26.071  -3.125  -1.675
   28   2HB   PRO   4          2HB       PRO   4  25.599  -3.424   0.007
   29   1HG   PRO   4          1HG       PRO   4  27.054  -5.162  -1.831
   30   2HG   PRO   4          2HG       PRO   4  26.860  -5.298  -0.077
   31   1HD   PRO   4          1HD       PRO   4  25.425  -6.715  -2.175
   32   2HD   PRO   4          2HD       PRO   4  25.388  -6.984  -0.425
   33    H    TYR   5           H        TYR   5  24.238  -5.831  -3.324
   34    HA   TYR   5           HA       TYR   5  24.545  -3.926  -5.521
   35   1HB   TYR   5          1HB       TYR   5  25.554  -6.295  -5.341
   36   2HB   TYR   5          2HB       TYR   5  23.949  -6.870  -5.791
   37    HD1  TYR   5           HD1      TYR   5  26.349  -4.184  -6.872
   38    HD2  TYR   5           HD2      TYR   5  23.596  -7.264  -8.045
   39    HE1  TYR   5           HE1      TYR   5  26.846  -3.721  -9.258
   40    HE2  TYR   5           HE2      TYR   5  24.092  -6.802 -10.429
   41    HH   TYR   5           HH       TYR   5  26.266  -4.150 -11.371
   42    H    TYR   6           H        TYR   6  21.910  -5.400  -3.879
   43    HA   TYR   6           HA       TYR   6  20.042  -5.478  -6.081
   44   1HB   TYR   6          1HB       TYR   6  19.939  -6.584  -3.691
   45   2HB   TYR   6          2HB       TYR   6  19.153  -5.068  -3.245
   46    HD1  TYR   6           HD1      TYR   6  19.027  -7.029  -6.430
   47    HD2  TYR   6           HD2      TYR   6  16.861  -5.536  -3.036
   48    HE1  TYR   6           HE1      TYR   6  16.906  -7.838  -7.430
   49    HE2  TYR   6           HE2      TYR   6  14.740  -6.344  -4.035
   50    HH   TYR   6           HH       TYR   6  14.005  -6.826  -6.649
   51    H    LEU   7           H        LEU   7  20.301  -3.184  -3.331
   52    HA   LEU   7           HA       LEU   7  18.439  -1.322  -4.517
   53   1HB   LEU   7          1HB       LEU   7  20.164  -1.429  -2.124
   54   2HB   LEU   7          2HB       LEU   7  19.868   0.194  -2.749
   55    HG   LEU   7           HG       LEU   7  17.383  -1.113  -2.882
   56   1HD1  LEU   7          1HD1      LEU   7  18.994  -2.377  -0.919
   57   2HD1  LEU   7          2HD1      LEU   7  17.847  -1.355  -0.052
   58   3HD1  LEU   7          3HD1      LEU   7  17.261  -2.578  -1.180
   59   1HD2  LEU   7          1HD2      LEU   7  18.580   0.902  -0.963
   60   2HD2  LEU   7          2HD2      LEU   7  17.600   1.229  -2.392
   61   3HD2  LEU   7          3HD2      LEU   7  16.866   0.488  -0.970
   62    H    SER   8           H        SER   8  22.004  -1.363  -4.281
   63    HA   SER   8           HA       SER   8  22.663   1.078  -5.390
   64   1HB   SER   8          1HB       SER   8  23.874  -1.651  -5.796
   65   2HB   SER   8          2HB       SER   8  24.557  -0.234  -6.590
   66    HG   SER   8           HG       SER   8  24.215  -0.721  -3.816
   67    H    ASP   9           H        ASP   9  21.090  -1.585  -7.009
   68    HA   ASP   9           HA       ASP   9  21.610  -1.060  -9.705
   69   1HB   ASP   9          1HB       ASP   9  18.932  -1.798  -8.491
   70   2HB   ASP   9          2HB       ASP   9  19.398  -2.023 -10.177
   71    H    ILE  10           H        ILE  10  18.728   0.234  -7.986
   72    HA   ILE  10           HA       ILE  10  18.122   2.135 -10.038
   73    HB   ILE  10           HB       ILE  10  17.373   2.038  -7.105
   74   1HG1  ILE  10          1HG1      ILE  10  15.851   1.400  -9.656
   75   2HG1  ILE  10          2HG1      ILE  10  16.511   0.210  -8.534
   76   1HG2  ILE  10          1HG2      ILE  10  16.537   3.919  -9.323
   77   2HG2  ILE  10          2HG2      ILE  10  15.542   3.651  -7.891
   78   3HG2  ILE  10          3HG2      ILE  10  17.160   4.332  -7.726
   79   1HD1  ILE  10          1HD1      ILE  10  15.109   1.525  -6.745
   80   2HD1  ILE  10          2HD1      ILE  10  14.205   2.096  -8.148
   81   3HD1  ILE  10          3HD1      ILE  10  14.300   0.368  -7.802
   82    H    THR  11           H        THR  11  19.905   2.496  -6.963
   83    HA   THR  11           HA       THR  11  20.374   5.323  -7.301
   84    HB   THR  11           HB       THR  11  21.893   5.120  -5.452
   85    HG1  THR  11           HG1      THR  11  23.209   3.492  -5.801
   86   1HG2  THR  11          1HG2      THR  11  19.324   4.374  -5.266
   87   2HG2  THR  11          2HG2      THR  11  20.077   2.859  -4.769
   88   3HG2  THR  11          3HG2      THR  11  20.410   4.342  -3.877
   89    H    ASP  12           H        ASP  12  21.517   2.756  -9.095
   90    HA   ASP  12           HA       ASP  12  24.278   3.406  -9.430
   91   1HB   ASP  12          1HB       ASP  12  22.812   1.354 -10.271
   92   2HB   ASP  12          2HB       ASP  12  22.690   2.339 -11.728
   93    H    ALA  13           H        ALA  13  21.377   4.474 -11.222
   94    HA   ALA  13           HA       ALA  13  23.093   6.453 -12.631
   95   1HB   ALA  13          1HB       ALA  13  20.514   5.094 -13.288
   96   2HB   ALA  13          2HB       ALA  13  20.793   6.709 -13.940
   97   3HB   ALA  13          3HB       ALA  13  21.913   5.400 -14.317
   98    H    PHE  14           H        PHE  14  21.003   6.219 -10.017
   99    HA   PHE  14           HA       PHE  14  19.836   8.904 -10.335
  100   1HB   PHE  14          1HB       PHE  14  18.851   6.703  -9.158
  101   2HB   PHE  14          2HB       PHE  14  19.645   7.422  -7.757
  102    HD1  PHE  14           HD1      PHE  14  19.010   9.703  -6.984
  103    HD2  PHE  14           HD2      PHE  14  16.909   7.713 -10.158
  104    HE1  PHE  14           HE1      PHE  14  17.132  11.307  -6.747
  105    HE2  PHE  14           HE2      PHE  14  15.030   9.314  -9.920
  106    HZ   PHE  14           HZ       PHE  14  15.141  11.111  -8.214
  107    H    SER  15           H        SER  15  22.758   7.641  -9.230
  108    HA   SER  15           HA       SER  15  23.245  10.132  -7.684
  109   1HB   SER  15          1HB       SER  15  23.245   7.422  -6.681
  110   2HB   SER  15          2HB       SER  15  24.847   8.134  -6.516
  111    HG   SER  15           HG       SER  15  23.538   8.634  -4.726
  112    HA   PRO  16           HA       PRO  16  26.707   9.743 -10.651
  113   1HB   PRO  16          1HB       PRO  16  26.487  12.302 -11.571
  114   2HB   PRO  16          2HB       PRO  16  25.527  10.963 -12.223
  115   1HG   PRO  16          1HG       PRO  16  24.662  13.228 -10.594
  116   2HG   PRO  16          2HG       PRO  16  23.690  12.091 -11.540
  117   1HD   PRO  16          1HD       PRO  16  24.180  12.095  -8.682
  118   2HD   PRO  16          2HD       PRO  16  23.093  11.055  -9.614
  119    H    GLN  17           H        GLN  17  26.051  12.929  -9.140
  120    HA   GLN  17           HA       GLN  17  28.817  13.398  -8.518
  121   1HB   GLN  17          1HB       GLN  17  28.056  15.333  -7.343
  122   2HB   GLN  17          2HB       GLN  17  26.947  15.139  -8.695
  123   1HG   GLN  17          1HG       GLN  17  26.301  13.887  -6.032
  124   2HG   GLN  17          2HG       GLN  17  25.972  15.594  -6.312
  125   1HE2  GLN  17          2HE2      GLN  17  25.170  15.531  -9.038
  126   2HE2  GLN  17          1HE2      GLN  17  23.740  14.627  -9.169
  127    H    VAL  18           H        VAL  18  26.218  11.706  -6.959
  128    HA   VAL  18           HA       VAL  18  27.506  11.526  -4.340
  129    HB   VAL  18           HB       VAL  18  25.334   9.785  -5.499
  130   1HG1  VAL  18          1HG1      VAL  18  26.734   9.787  -3.024
  131   2HG1  VAL  18          2HG1      VAL  18  25.099  10.360  -2.697
  132   3HG1  VAL  18          3HG1      VAL  18  25.346   8.797  -3.475
  133   1HG2  VAL  18          1HG2      VAL  18  24.928  12.324  -5.567
  134   2HG2  VAL  18          2HG2      VAL  18  23.719  11.353  -4.728
  135   3HG2  VAL  18          3HG2      VAL  18  24.924  12.252  -3.806
  136    H    LEU  19           H        LEU  19  27.674   9.890  -7.364
  137    HA   LEU  19           HA       LEU  19  28.606   7.327  -6.465
  138   1HB   LEU  19          1HB       LEU  19  28.303   8.717  -8.978
  139   2HB   LEU  19          2HB       LEU  19  29.890   7.952  -8.919
  140    HG   LEU  19           HG       LEU  19  27.330   6.503  -8.205
  141   1HD1  LEU  19          1HD1      LEU  19  28.576   7.115 -10.822
  142   2HD1  LEU  19          2HD1      LEU  19  28.132   5.426 -10.574
  143   3HD1  LEU  19          3HD1      LEU  19  26.907   6.688 -10.442
  144   1HD2  LEU  19          1HD2      LEU  19  30.225   5.772  -8.560
  145   2HD2  LEU  19          2HD2      LEU  19  29.107   5.291  -7.284
  146   3HD2  LEU  19          3HD2      LEU  19  28.980   4.567  -8.887
  147    H    ALA  20           H        ALA  20  30.336  10.279  -7.501
  148    HA   ALA  20           HA       ALA  20  32.973   9.288  -6.933
  149   1HB   ALA  20          1HB       ALA  20  32.031  11.547  -8.088
  150   2HB   ALA  20          2HB       ALA  20  32.410  12.178  -6.486
  151   3HB   ALA  20          3HB       ALA  20  33.672  11.418  -7.456
  152    H    ALA  21           H        ALA  21  30.889  11.470  -5.037
  153    HA   ALA  21           HA       ALA  21  32.300  11.735  -2.682
  154   1HB   ALA  21          1HB       ALA  21  29.442  11.591  -3.411
  155   2HB   ALA  21          2HB       ALA  21  29.780  11.234  -1.718
  156   3HB   ALA  21          3HB       ALA  21  30.285  12.775  -2.412
  157    H    VAL  22           H        VAL  22  30.197   9.035  -3.539
  158    HA   VAL  22           HA       VAL  22  30.352   7.411  -1.308
  159    HB   VAL  22           HB       VAL  22  30.294   6.782  -4.248
  160   1HG1  VAL  22          1HG1      VAL  22  30.736   4.838  -1.988
  161   2HG1  VAL  22          2HG1      VAL  22  29.849   4.350  -3.432
  162   3HG1  VAL  22          3HG1      VAL  22  31.522   4.891  -3.566
  163   1HG2  VAL  22          1HG2      VAL  22  28.417   6.254  -1.927
  164   2HG2  VAL  22          2HG2      VAL  22  28.250   7.546  -3.115
  165   3HG2  VAL  22          3HG2      VAL  22  28.086   5.863  -3.614
  166    H    ILE  23           H        ILE  23  32.728   7.341  -4.009
  167    HA   ILE  23           HA       ILE  23  34.528   5.542  -2.775
  168    HB   ILE  23           HB       ILE  23  35.114   7.888  -4.609
  169   1HG1  ILE  23          1HG1      ILE  23  33.662   6.218  -5.625
  170   2HG1  ILE  23          2HG1      ILE  23  35.280   6.044  -6.306
  171   1HG2  ILE  23          1HG2      ILE  23  36.899   6.248  -3.097
  172   2HG2  ILE  23          2HG2      ILE  23  37.030   5.767  -4.788
  173   3HG2  ILE  23          3HG2      ILE  23  37.305   7.446  -4.326
  174   1HD1  ILE  23          1HD1      ILE  23  35.713   4.268  -4.546
  175   2HD1  ILE  23          2HD1      ILE  23  33.994   4.340  -4.160
  176   3HD1  ILE  23          3HD1      ILE  23  34.516   3.830  -5.765
  177    H    PHE  24           H        PHE  24  34.213   9.056  -2.398
  178    HA   PHE  24           HA       PHE  24  36.497   9.586  -0.844
  179   1HB   PHE  24          1HB       PHE  24  34.353  11.064  -1.605
  180   2HB   PHE  24          2HB       PHE  24  33.949  10.811   0.091
  181    HD1  PHE  24           HD1      PHE  24  35.519  11.550   1.880
  182    HD2  PHE  24           HD2      PHE  24  36.194  12.455  -2.264
  183    HE1  PHE  24           HE1      PHE  24  37.153  13.301   2.528
  184    HE2  PHE  24           HE2      PHE  24  37.828  14.204  -1.617
  185    HZ   PHE  24           HZ       PHE  24  38.307  14.628   0.779
  186    H    ILE  25           H        ILE  25  33.375   8.200   0.142
  187    HA   ILE  25           HA       ILE  25  34.112   8.024   2.949
  188    HB   ILE  25           HB       ILE  25  32.026   6.350   1.525
  189   1HG1  ILE  25          1HG1      ILE  25  31.349   8.963   2.816
  190   2HG1  ILE  25          2HG1      ILE  25  32.055   9.002   1.200
  191   1HG2  ILE  25          1HG2      ILE  25  32.668   7.129   4.338
  192   2HG2  ILE  25          2HG2      ILE  25  30.966   6.968   3.900
  193   3HG2  ILE  25          3HG2      ILE  25  32.060   5.598   3.708
  194   1HD1  ILE  25          1HD1      ILE  25  30.290   7.247   0.563
  195   2HD1  ILE  25          2HD1      ILE  25  29.498   7.659   2.083
  196   3HD1  ILE  25          3HD1      ILE  25  29.707   8.889   0.837
  197    H    TYR  26           H        TYR  26  34.194   5.778   0.167
  198    HA   TYR  26           HA       TYR  26  35.048   3.486   1.666
  199   1HB   TYR  26          1HB       TYR  26  35.199   4.320  -1.213
  200   2HB   TYR  26          2HB       TYR  26  36.174   2.952  -0.677
  201    HD1  TYR  26           HD1      TYR  26  32.985   3.780   0.959
  202    HD2  TYR  26           HD2      TYR  26  34.903   1.332  -2.004
  203    HE1  TYR  26           HE1      TYR  26  30.983   2.318   0.868
  204    HE2  TYR  26           HE2      TYR  26  32.904  -0.127  -2.096
  205    HH   TYR  26           HH       TYR  26  30.993  -0.722  -0.598
  206    H    PHE  27           H        PHE  27  36.569   6.427   0.844
  207    HA   PHE  27           HA       PHE  27  39.311   5.380   1.122
  208   1HB   PHE  27          1HB       PHE  27  38.189   7.545  -0.225
  209   2HB   PHE  27          2HB       PHE  27  38.963   8.291   1.174
  210    HD1  PHE  27           HD1      PHE  27  41.298   6.700   1.700
  211    HD2  PHE  27           HD2      PHE  27  39.580   7.777  -2.086
  212    HE1  PHE  27           HE1      PHE  27  43.513   6.428   0.619
  213    HE2  PHE  27           HE2      PHE  27  41.794   7.505  -3.169
  214    HZ   PHE  27           HZ       PHE  27  43.762   6.831  -1.817
  215    H    ALA  28           H        ALA  28  36.914   7.280   2.835
  216    HA   ALA  28           HA       ALA  28  38.493   8.149   5.044
  217   1HB   ALA  28          1HB       ALA  28  35.557   7.629   4.616
  218   2HB   ALA  28          2HB       ALA  28  36.159   8.087   6.209
  219   3HB   ALA  28          3HB       ALA  28  36.381   9.172   4.837
  220    H    ALA  29           H        ALA  29  36.230   5.387   4.866
  221    HA   ALA  29           HA       ALA  29  36.821   4.251   7.386
  222   1HB   ALA  29          1HB       ALA  29  35.451   3.473   4.962
  223   2HB   ALA  29          2HB       ALA  29  36.346   2.106   5.628
  224   3HB   ALA  29          3HB       ALA  29  35.155   2.947   6.619
  225    H    LEU  30           H        LEU  30  38.250   3.535   4.230
  226    HA   LEU  30           HA       LEU  30  40.043   1.500   5.099
  227   1HB   LEU  30          1HB       LEU  30  39.338   2.122   2.718
  228   2HB   LEU  30          2HB       LEU  30  40.541   3.400   2.800
  229    HG   LEU  30           HG       LEU  30  41.149   1.038   1.779
  230   1HD1  LEU  30          1HD1      LEU  30  42.638   3.106   3.142
  231   2HD1  LEU  30          2HD1      LEU  30  43.432   1.543   3.350
  232   3HD1  LEU  30          3HD1      LEU  30  43.091   2.152   1.730
  233   1HD2  LEU  30          1HD2      LEU  30  40.405   0.010   4.088
  234   2HD2  LEU  30          2HD2      LEU  30  41.821  -0.632   3.257
  235   3HD2  LEU  30          3HD2      LEU  30  42.023   0.492   4.600
  236    H    SER  31           H        SER  31  40.136   4.691   6.028
  237    HA   SER  31           HA       SER  31  42.708   5.626   5.775
  238   1HB   SER  31          1HB       SER  31  40.534   6.085   7.562
  239   2HB   SER  31          2HB       SER  31  42.030   6.056   8.492
  240    HG   SER  31           HG       SER  31  42.091   7.410   6.068
  241    HA   PRO  32           HA       PRO  32  44.397   2.996   9.395
  242   1HB   PRO  32          1HB       PRO  32  42.638   1.665  10.998
  243   2HB   PRO  32          2HB       PRO  32  43.032   3.381  11.194
  244   1HG   PRO  32          1HG       PRO  32  40.539   2.169  10.312
  245   2HG   PRO  32          2HG       PRO  32  40.865   3.848  10.767
  246   1HD   PRO  32          1HD       PRO  32  40.706   2.670   8.101
  247   2HD   PRO  32          2HD       PRO  32  40.727   4.378   8.557
  248    H    ALA  33           H        ALA  33  41.871   1.371   7.564
  249    HA   ALA  33           HA       ALA  33  42.653  -1.325   8.137
  250   1HB   ALA  33          1HB       ALA  33  40.889   0.038   6.276
  251   2HB   ALA  33          2HB       ALA  33  41.751  -1.283   5.484
  252   3HB   ALA  33          3HB       ALA  33  40.779  -1.601   6.919
  253    H    ILE  34           H        ILE  34  44.017   1.153   6.138
  254    HA   ILE  34           HA       ILE  34  45.496  -0.437   4.300
  255    HB   ILE  34           HB       ILE  34  45.162   2.073   4.234
  256   1HG1  ILE  34          1HG1      ILE  34  46.878   0.686   2.896
  257   2HG1  ILE  34          2HG1      ILE  34  47.145   2.425   2.994
  258   1HG2  ILE  34          1HG2      ILE  34  46.672   1.853   6.688
  259   2HG2  ILE  34          2HG2      ILE  34  47.517   2.889   5.541
  260   3HG2  ILE  34          3HG2      ILE  34  45.859   3.261   6.007
  261   1HD1  ILE  34          1HD1      ILE  34  48.404   1.177   5.256
  262   2HD1  ILE  34          2HD1      ILE  34  48.915   0.345   3.790
  263   3HD1  ILE  34          3HD1      ILE  34  49.153   2.084   3.945
  264    H    THR  35           H        THR  35  46.023   0.204   7.697
  265    HA   THR  35           HA       THR  35  48.832  -0.591   7.626
  266    HB   THR  35           HB       THR  35  47.172  -0.626  10.132
  267    HG1  THR  35           HG1      THR  35  46.561   1.310   9.489
  268   1HG2  THR  35          1HG2      THR  35  49.998  -0.414   9.330
  269   2HG2  THR  35          2HG2      THR  35  49.517   0.716  10.594
  270   3HG2  THR  35          3HG2      THR  35  49.297  -1.017  10.831
  271    H    PHE  36           H        PHE  36  45.769  -2.204   7.885
  272    HA   PHE  36           HA       PHE  36  46.412  -4.550   9.286
  273   1HB   PHE  36          1HB       PHE  36  44.176  -3.873   8.189
  274   2HB   PHE  36          2HB       PHE  36  44.822  -4.599   6.717
  275    HD1  PHE  36           HD1      PHE  36  45.651  -7.024   6.828
  276    HD2  PHE  36           HD2      PHE  36  43.232  -5.222   9.886
  277    HE1  PHE  36           HE1      PHE  36  45.021  -9.275   7.656
  278    HE2  PHE  36           HE2      PHE  36  42.602  -7.472  10.713
  279    HZ   PHE  36           HZ       PHE  36  43.496  -9.499   9.599
  280    H    GLY  37           H        GLY  37  48.289  -5.676   8.979
  281   1HA   GLY  37          1HA       GLY  37  48.747  -7.017   6.442
  282   2HA   GLY  37          2HA       GLY  37  49.944  -5.760   6.755
  283    H    GLY  38           H        GLY  38  48.405  -7.719   9.257
  284   1HA   GLY  38          1HA       GLY  38  49.653  -9.859   9.937
  285   2HA   GLY  38          2HA       GLY  38  51.103  -8.857   9.868
  286    H    LEU  39           H        LEU  39  47.959  -9.141  11.502
  287    HA   LEU  39           HA       LEU  39  48.745  -7.260  13.601
  288   1HB   LEU  39          1HB       LEU  39  46.325  -8.268  12.643
  289   2HB   LEU  39          2HB       LEU  39  46.493  -8.997  14.240
  290    HG   LEU  39           HG       LEU  39  45.392  -6.905  14.587
  291   1HD1  LEU  39          1HD1      LEU  39  47.553  -7.519  15.955
  292   2HD1  LEU  39          2HD1      LEU  39  48.247  -6.130  15.119
  293   3HD1  LEU  39          3HD1      LEU  39  46.829  -5.922  16.147
  294   1HD2  LEU  39          1HD2      LEU  39  46.024  -5.974  12.340
  295   2HD2  LEU  39          2HD2      LEU  39  46.192  -4.808  13.653
  296   3HD2  LEU  39          3HD2      LEU  39  47.621  -5.605  12.993
  297    H    LEU  40           H        LEU  40  47.483 -10.561  14.031
  298    HA   LEU  40           HA       LEU  40  49.261 -10.907  16.351
  299   1HB   LEU  40          1HB       LEU  40  47.195 -12.763  15.129
  300   2HB   LEU  40          2HB       LEU  40  48.023 -13.021  16.665
  301    HG   LEU  40           HG       LEU  40  46.612 -10.418  16.250
  302   1HD1  LEU  40          1HD1      LEU  40  45.043 -12.255  15.494
  303   2HD1  LEU  40          2HD1      LEU  40  45.177 -12.945  17.112
  304   3HD1  LEU  40          3HD1      LEU  40  44.477 -11.341  16.893
  305   1HD2  LEU  40          1HD2      LEU  40  48.036 -11.435  18.296
  306   2HD2  LEU  40          2HD2      LEU  40  46.680 -10.337  18.550
  307   3HD2  LEU  40          3HD2      LEU  40  46.450 -12.077  18.721
  308    H    GLY  41           H        GLY  41  48.596 -12.746  13.343
  309   1HA   GLY  41          1HA       GLY  41  50.017 -14.114  12.073
  310   2HA   GLY  41          2HA       GLY  41  51.349 -13.149  12.713
  311    H    GLU  42           H        GLU  42  50.507 -16.229  12.457
  312    HA   GLU  42           HA       GLU  42  50.566 -17.351  15.060
  313   1HB   GLU  42          1HB       GLU  42  50.906 -18.286  12.330
  314   2HB   GLU  42          2HB       GLU  42  52.020 -19.110  13.422
  315   1HG   GLU  42          1HG       GLU  42  49.880 -20.320  13.310
  316   2HG   GLU  42          2HG       GLU  42  50.127 -19.657  14.926
  317    H    LYS  43           H        LYS  43  53.028 -15.727  13.295
  318    HA   LYS  43           HA       LYS  43  55.063 -16.703  15.261
  319   1HB   LYS  43          1HB       LYS  43  56.209 -15.388  12.931
  320   2HB   LYS  43          2HB       LYS  43  56.555 -16.986  13.589
  321   1HG   LYS  43          1HG       LYS  43  54.082 -16.426  11.937
  322   2HG   LYS  43          2HG       LYS  43  55.607 -16.923  11.208
  323   1HD   LYS  43          1HD       LYS  43  55.594 -18.919  12.770
  324   2HD   LYS  43          2HD       LYS  43  53.951 -18.464  13.221
  325   1HE   LYS  43          1HE       LYS  43  53.763 -20.101  11.469
  326   2HE   LYS  43          2HE       LYS  43  53.360 -18.540  10.758
  327   1HZ   LYS  43          1HZ       LYS  43  56.110 -19.621  10.681
  328   2HZ   LYS  43          2HZ       LYS  43  54.966 -20.013   9.489
  329   3HZ   LYS  43          3HZ       LYS  43  55.433 -18.396   9.726
  Start of MODEL   12
    1   1H    ACE   1           HA1      ACE   1  27.012 -15.296 -10.961
    2   2H    ACE   1           HA2      ACE   1  27.246 -14.657 -12.587
    3   3H    ACE   1           HA3      ACE   1  25.618 -14.994 -11.998
    4    H    ARG   2           H        ARG   2  26.503 -12.433 -12.997
    5    HA   ARG   2           HA       ARG   2  26.659 -10.788 -10.518
    6   1HB   ARG   2          1HB       ARG   2  28.270 -10.448 -12.486
    7   2HB   ARG   2          2HB       ARG   2  26.888  -9.784 -13.358
    8   1HG   ARG   2          1HG       ARG   2  26.816  -7.888 -12.080
    9   2HG   ARG   2          2HG       ARG   2  27.323  -8.733 -10.616
   10   1HD   ARG   2          1HD       ARG   2  29.345  -7.775 -10.944
   11   2HD   ARG   2          2HD       ARG   2  29.548  -8.935 -12.256
   12    HE   ARG   2           HE       ARG   2  28.809  -7.193 -13.821
   13   1HH1  ARG   2          1HH1      ARG   2  27.834  -5.911 -10.952
   14   2HH1  ARG   2          2HH1      ARG   2  28.632  -4.383 -11.123
   15   1HH2  ARG   2          1HH2      ARG   2  30.493  -5.366 -13.882
   16   2HH2  ARG   2          2HH2      ARG   2  30.133  -4.073 -12.788
   17    H    TYR   3           H        TYR   3  25.115  -9.124 -10.150
   18    HA   TYR   3           HA       TYR   3  22.450  -9.712 -11.182
   19   1HB   TYR   3          1HB       TYR   3  23.606  -7.816  -9.164
   20   2HB   TYR   3          2HB       TYR   3  21.982  -7.521  -9.781
   21    HD1  TYR   3           HD1      TYR   3  23.056 -10.983  -9.754
   22    HD2  TYR   3           HD2      TYR   3  21.207  -7.901  -7.401
   23    HE1  TYR   3           HE1      TYR   3  22.154 -12.701  -8.211
   24    HE2  TYR   3           HE2      TYR   3  20.304  -9.619  -5.860
   25    HH   TYR   3           HH       TYR   3  21.033 -12.063  -5.206
   26    HA   PRO   4           HA       PRO   4  22.884  -6.709 -14.509
   27   1HB   PRO   4          1HB       PRO   4  20.668  -7.543 -15.856
   28   2HB   PRO   4          2HB       PRO   4  22.221  -8.393 -15.926
   29   1HG   PRO   4          1HG       PRO   4  19.727  -9.190 -14.609
   30   2HG   PRO   4          2HG       PRO   4  21.121 -10.176 -15.073
   31   1HD   PRO   4          1HD       PRO   4  20.469  -9.167 -12.461
   32   2HD   PRO   4          2HD       PRO   4  21.858 -10.159 -12.933
   33    H    TYR   5           H        TYR   5  19.403  -7.300 -14.178
   34    HA   TYR   5           HA       TYR   5  18.921  -4.433 -13.950
   35   1HB   TYR   5          1HB       TYR   5  17.429  -6.371 -15.013
   36   2HB   TYR   5          2HB       TYR   5  16.765  -6.423 -13.380
   37    HD1  TYR   5           HD1      TYR   5  17.803  -3.843 -15.910
   38    HD2  TYR   5           HD2      TYR   5  14.943  -5.047 -12.939
   39    HE1  TYR   5           HE1      TYR   5  16.461  -1.813 -16.379
   40    HE2  TYR   5           HE2      TYR   5  13.601  -3.015 -13.410
   41    HH   TYR   5           HH       TYR   5  13.353  -1.427 -15.541
   42    H    TYR   6           H        TYR   6  18.759  -7.236 -11.778
   43    HA   TYR   6           HA       TYR   6  17.552  -6.091  -9.525
   44   1HB   TYR   6          1HB       TYR   6  19.732  -8.128  -9.878
   45   2HB   TYR   6          2HB       TYR   6  19.333  -7.566  -8.255
   46    HD1  TYR   6           HD1      TYR   6  17.046  -7.899  -7.336
   47    HD2  TYR   6           HD2      TYR   6  18.230  -9.530 -11.129
   48    HE1  TYR   6           HE1      TYR   6  15.090  -9.422  -7.292
   49    HE2  TYR   6           HE2      TYR   6  16.274 -11.052 -11.085
   50    HH   TYR   6           HH       TYR   6  14.644 -11.872  -8.519
   51    H    LEU   7           H        LEU   7  20.920  -5.818 -10.610
   52    HA   LEU   7           HA       LEU   7  21.959  -4.399  -8.386
   53   1HB   LEU   7          1HB       LEU   7  23.272  -5.347 -10.327
   54   2HB   LEU   7          2HB       LEU   7  22.737  -3.961 -11.278
   55    HG   LEU   7           HG       LEU   7  23.632  -2.678  -9.070
   56   1HD1  LEU   7          1HD1      LEU   7  25.265  -5.215  -9.344
   57   2HD1  LEU   7          2HD1      LEU   7  25.846  -3.777  -8.506
   58   3HD1  LEU   7          3HD1      LEU   7  24.424  -4.632  -7.908
   59   1HD2  LEU   7          1HD2      LEU   7  24.275  -2.634 -11.642
   60   2HD2  LEU   7          2HD2      LEU   7  25.347  -1.916 -10.440
   61   3HD2  LEU   7          3HD2      LEU   7  25.691  -3.523 -11.080
   62    H    SER   8           H        SER   8  20.456  -3.172 -11.367
   63    HA   SER   8           HA       SER   8  20.628  -0.411 -10.421
   64   1HB   SER   8          1HB       SER   8  20.250   0.107 -12.587
   65   2HB   SER   8          2HB       SER   8  20.379  -1.619 -12.909
   66    HG   SER   8           HG       SER   8  18.079  -1.697 -12.411
   67    H    ASP   9           H        ASP   9  18.963  -2.487  -8.911
   68    HA   ASP   9           HA       ASP   9  16.247  -1.405  -9.247
   69   1HB   ASP   9          1HB       ASP   9  17.453  -3.670  -7.692
   70   2HB   ASP   9          2HB       ASP   9  15.873  -3.042  -7.222
   71    H    ILE  10           H        ILE  10  17.051  -2.222  -6.001
   72    HA   ILE  10           HA       ILE  10  16.590   0.575  -5.206
   73    HB   ILE  10           HB       ILE  10  17.026  -1.768  -3.359
   74   1HG1  ILE  10          1HG1      ILE  10  14.344  -0.916  -4.469
   75   2HG1  ILE  10          2HG1      ILE  10  15.295  -2.201  -5.216
   76   1HG2  ILE  10          1HG2      ILE  10  16.682   0.889  -2.849
   77   2HG2  ILE  10          2HG2      ILE  10  15.008   0.334  -2.840
   78   3HG2  ILE  10          3HG2      ILE  10  16.184  -0.394  -1.745
   79   1HD1  ILE  10          1HD1      ILE  10  15.335  -2.806  -2.487
   80   2HD1  ILE  10          2HD1      ILE  10  13.681  -2.277  -2.794
   81   3HD1  ILE  10          3HD1      ILE  10  14.367  -3.612  -3.721
   82    H    THR  11           H        THR  11  19.319  -1.188  -5.957
   83    HA   THR  11           HA       THR  11  21.034  -0.464  -3.750
   84    HB   THR  11           HB       THR  11  22.822  -1.286  -5.047
   85    HG1  THR  11           HG1      THR  11  22.970  -0.958  -7.132
   86   1HG2  THR  11          1HG2      THR  11  20.256  -2.636  -5.229
   87   2HG2  THR  11          2HG2      THR  11  21.288  -3.041  -6.599
   88   3HG2  THR  11          3HG2      THR  11  21.859  -3.317  -4.954
   89    H    ASP  12           H        ASP  12  19.607   1.436  -6.148
   90    HA   ASP  12           HA       ASP  12  21.824   3.338  -6.413
   91   1HB   ASP  12          1HB       ASP  12  19.174   2.954  -7.615
   92   2HB   ASP  12          2HB       ASP  12  19.550   4.647  -7.290
   93    H    ALA  13           H        ALA  13  19.026   2.898  -4.376
   94    HA   ALA  13           HA       ALA  13  19.063   5.646  -3.369
   95   1HB   ALA  13          1HB       ALA  13  17.282   3.414  -3.248
   96   2HB   ALA  13          2HB       ALA  13  17.673   3.888  -1.596
   97   3HB   ALA  13          3HB       ALA  13  16.991   5.069  -2.714
   98    H    PHE  14           H        PHE  14  20.866   2.826  -2.783
   99    HA   PHE  14           HA       PHE  14  21.400   3.437   0.045
  100   1HB   PHE  14          1HB       PHE  14  21.872   1.202  -1.781
  101   2HB   PHE  14          2HB       PHE  14  23.284   1.568  -0.789
  102    HD1  PHE  14           HD1      PHE  14  19.599   0.978  -0.588
  103    HD2  PHE  14           HD2      PHE  14  23.369   0.901   1.469
  104    HE1  PHE  14           HE1      PHE  14  18.513  -0.109   1.359
  105    HE2  PHE  14           HE2      PHE  14  22.284  -0.187   3.416
  106    HZ   PHE  14           HZ       PHE  14  19.856  -0.692   3.362
  107    H    SER  15           H        SER  15  22.445   4.666  -2.873
  108    HA   SER  15           HA       SER  15  24.463   5.672  -3.599
  109   1HB   SER  15          1HB       SER  15  23.546   7.480  -2.395
  110   2HB   SER  15          2HB       SER  15  23.846   6.708  -0.840
  111    HG   SER  15           HG       SER  15  25.349   8.433  -1.553
  112    HA   PRO  16           HA       PRO  16  27.330   2.870  -1.174
  113   1HB   PRO  16          1HB       PRO  16  27.354   0.725  -2.853
  114   2HB   PRO  16          2HB       PRO  16  26.182   0.905  -1.535
  115   1HG   PRO  16          1HG       PRO  16  25.751   1.058  -4.419
  116   2HG   PRO  16          2HG       PRO  16  24.565   0.888  -3.115
  117   1HD   PRO  16          1HD       PRO  16  25.315   3.285  -4.571
  118   2HD   PRO  16          2HD       PRO  16  24.019   3.068  -3.386
  119    H    GLN  17           H        GLN  17  27.229   2.452  -4.728
  120    HA   GLN  17           HA       GLN  17  29.948   2.323  -5.240
  121   1HB   GLN  17          1HB       GLN  17  27.645   2.694  -6.778
  122   2HB   GLN  17          2HB       GLN  17  28.653   4.089  -7.164
  123   1HG   GLN  17          1HG       GLN  17  29.226   2.291  -8.688
  124   2HG   GLN  17          2HG       GLN  17  30.568   2.518  -7.566
  125   1HE2  GLN  17          2HE2      GLN  17  30.975   0.841  -5.987
  126   2HE2  GLN  17          1HE2      GLN  17  30.203  -0.669  -6.057
  127    H    VAL  18           H        VAL  18  28.060   5.189  -4.449
  128    HA   VAL  18           HA       VAL  18  30.331   6.977  -4.978
  129    HB   VAL  18           HB       VAL  18  27.504   7.355  -4.040
  130   1HG1  VAL  18          1HG1      VAL  18  29.830   9.145  -3.608
  131   2HG1  VAL  18          2HG1      VAL  18  28.383   9.907  -4.268
  132   3HG1  VAL  18          3HG1      VAL  18  28.304   9.052  -2.727
  133   1HG2  VAL  18          1HG2      VAL  18  28.337   7.162  -6.504
  134   2HG2  VAL  18          2HG2      VAL  18  27.221   8.463  -6.090
  135   3HG2  VAL  18          3HG2      VAL  18  28.945   8.798  -6.251
  136    H    LEU  19           H        LEU  19  28.526   5.888  -2.064
  137    HA   LEU  19           HA       LEU  19  30.070   7.369  -0.185
  138   1HB   LEU  19          1HB       LEU  19  27.958   5.977   0.258
  139   2HB   LEU  19          2HB       LEU  19  29.016   4.566   0.290
  140    HG   LEU  19           HG       LEU  19  30.137   6.669   1.921
  141   1HD1  LEU  19          1HD1      LEU  19  27.479   7.015   1.941
  142   2HD1  LEU  19          2HD1      LEU  19  27.573   5.686   3.097
  143   3HD1  LEU  19          3HD1      LEU  19  28.447   7.186   3.406
  144   1HD2  LEU  19          1HD2      LEU  19  30.371   4.060   1.893
  145   2HD2  LEU  19          2HD2      LEU  19  30.417   4.904   3.441
  146   3HD2  LEU  19          3HD2      LEU  19  28.938   4.096   2.921
  147    H    ALA  20           H        ALA  20  30.468   3.933  -1.081
  148    HA   ALA  20           HA       ALA  20  32.918   3.436   0.158
  149   1HB   ALA  20          1HB       ALA  20  31.559   1.768  -1.137
  150   2HB   ALA  20          2HB       ALA  20  32.151   2.510  -2.623
  151   3HB   ALA  20          3HB       ALA  20  33.280   1.719  -1.523
  152    H    ALA  21           H        ALA  21  32.360   4.792  -3.075
  153    HA   ALA  21           HA       ALA  21  34.985   5.110  -3.971
  154   1HB   ALA  21          1HB       ALA  21  32.403   6.290  -4.538
  155   2HB   ALA  21          2HB       ALA  21  33.666   7.517  -4.639
  156   3HB   ALA  21          3HB       ALA  21  33.772   6.058  -5.624
  157    H    VAL  22           H        VAL  22  33.135   7.513  -2.129
  158    HA   VAL  22           HA       VAL  22  35.188   9.401  -1.718
  159    HB   VAL  22           HB       VAL  22  32.799   8.645  -0.003
  160   1HG1  VAL  22          1HG1      VAL  22  35.080  10.314   0.641
  161   2HG1  VAL  22          2HG1      VAL  22  33.621  11.299   0.534
  162   3HG1  VAL  22          3HG1      VAL  22  33.679   9.925   1.639
  163   1HG2  VAL  22          1HG2      VAL  22  32.785   9.770  -2.429
  164   2HG2  VAL  22          2HG2      VAL  22  31.664  10.287  -1.169
  165   3HG2  VAL  22          3HG2      VAL  22  33.125  11.222  -1.488
  166    H    ILE  23           H        ILE  23  34.195   6.741   0.450
  167    HA   ILE  23           HA       ILE  23  36.314   7.150   2.347
  168    HB   ILE  23           HB       ILE  23  34.751   4.652   1.666
  169   1HG1  ILE  23          1HG1      ILE  23  34.077   6.201   4.085
  170   2HG1  ILE  23          2HG1      ILE  23  33.756   7.051   2.573
  171   1HG2  ILE  23          1HG2      ILE  23  36.665   5.389   3.848
  172   2HG2  ILE  23          2HG2      ILE  23  35.286   4.372   4.265
  173   3HG2  ILE  23          3HG2      ILE  23  36.435   3.840   3.037
  174   1HD1  ILE  23          1HD1      ILE  23  32.819   4.527   2.015
  175   2HD1  ILE  23          2HD1      ILE  23  32.413   4.698   3.722
  176   3HD1  ILE  23          3HD1      ILE  23  31.815   5.875   2.553
  177    H    PHE  24           H        PHE  24  36.251   5.793  -0.783
  178    HA   PHE  24           HA       PHE  24  38.374   3.877  -0.490
  179   1HB   PHE  24          1HB       PHE  24  36.802   4.937  -2.638
  180   2HB   PHE  24          2HB       PHE  24  38.500   5.108  -3.079
  181    HD1  PHE  24           HD1      PHE  24  39.899   2.888  -2.055
  182    HD2  PHE  24           HD2      PHE  24  35.859   2.997  -3.508
  183    HE1  PHE  24           HE1      PHE  24  40.011   0.459  -2.547
  184    HE2  PHE  24           HE2      PHE  24  35.969   0.569  -4.000
  185    HZ   PHE  24           HZ       PHE  24  38.045  -0.701  -3.518
  186    H    ILE  25           H        ILE  25  38.256   7.344  -1.196
  187    HA   ILE  25           HA       ILE  25  41.106   7.648  -1.567
  188    HB   ILE  25           HB       ILE  25  39.270   9.804  -0.505
  189   1HG1  ILE  25          1HG1      ILE  25  39.462   8.688  -3.318
  190   2HG1  ILE  25          2HG1      ILE  25  38.017   8.827  -2.313
  191   1HG2  ILE  25          1HG2      ILE  25  41.833  10.043  -0.890
  192   2HG2  ILE  25          2HG2      ILE  25  41.420  10.039  -2.605
  193   3HG2  ILE  25          3HG2      ILE  25  40.772  11.290  -1.544
  194   1HD1  ILE  25          1HD1      ILE  25  39.660  11.164  -3.333
  195   2HD1  ILE  25          2HD1      ILE  25  38.122  10.631  -4.012
  196   3HD1  ILE  25          3HD1      ILE  25  38.186  11.274  -2.371
  197    H    TYR  26           H        TYR  26  38.943   8.090   1.272
  198    HA   TYR  26           HA       TYR  26  41.029   8.852   3.097
  199   1HB   TYR  26          1HB       TYR  26  38.408   8.819   3.371
  200   2HB   TYR  26          2HB       TYR  26  38.665   7.169   3.926
  201    HD1  TYR  26           HD1      TYR  26  41.182   7.321   5.401
  202    HD2  TYR  26           HD2      TYR  26  37.919  10.110   5.254
  203    HE1  TYR  26           HE1      TYR  26  41.805   8.173   7.645
  204    HE2  TYR  26           HE2      TYR  26  38.543  10.960   7.498
  205    HH   TYR  26           HH       TYR  26  41.259   9.528   9.311
  206    H    PHE  27           H        PHE  27  39.358   5.744   3.004
  207    HA   PHE  27           HA       PHE  27  41.054   4.071   4.357
  208   1HB   PHE  27          1HB       PHE  27  38.912   3.747   2.657
  209   2HB   PHE  27          2HB       PHE  27  40.213   2.948   1.775
  210    HD1  PHE  27           HD1      PHE  27  39.088   3.230   5.358
  211    HD2  PHE  27           HD2      PHE  27  40.428   0.674   2.176
  212    HE1  PHE  27           HE1      PHE  27  38.909   1.263   6.860
  213    HE2  PHE  27           HE2      PHE  27  40.248  -1.292   3.677
  214    HZ   PHE  27           HZ       PHE  27  39.489  -0.997   6.019
  215    H    ALA  28           H        ALA  28  41.537   5.424   1.168
  216    HA   ALA  28           HA       ALA  28  43.686   3.677   0.386
  217   1HB   ALA  28          1HB       ALA  28  42.746   6.369  -0.589
  218   2HB   ALA  28          2HB       ALA  28  44.096   5.509  -1.332
  219   3HB   ALA  28          3HB       ALA  28  42.485   4.790  -1.330
  220    H    ALA  29           H        ALA  29  43.869   7.157   1.288
  221    HA   ALA  29           HA       ALA  29  46.776   6.867   1.487
  222   1HB   ALA  29          1HB       ALA  29  45.076   8.899   0.716
  223   2HB   ALA  29          2HB       ALA  29  45.697   9.451   2.271
  224   3HB   ALA  29          3HB       ALA  29  46.816   9.042   0.970
  225    H    LEU  30           H        LEU  30  44.653   8.685   3.706
  226    HA   LEU  30           HA       LEU  30  46.572   8.164   5.845
  227   1HB   LEU  30          1HB       LEU  30  45.380   9.798   7.118
  228   2HB   LEU  30          2HB       LEU  30  45.454  10.391   5.460
  229    HG   LEU  30           HG       LEU  30  43.102   8.744   6.322
  230   1HD1  LEU  30          1HD1      LEU  30  43.576  11.676   6.914
  231   2HD1  LEU  30          2HD1      LEU  30  41.973  10.941   6.908
  232   3HD1  LEU  30          3HD1      LEU  30  43.187  10.401   8.068
  233   1HD2  LEU  30          1HD2      LEU  30  43.825  10.688   4.179
  234   2HD2  LEU  30          2HD2      LEU  30  42.879   9.203   4.075
  235   3HD2  LEU  30          3HD2      LEU  30  42.147  10.672   4.720
  236    H    SER  31           H        SER  31  44.820   5.901   4.877
  237    HA   SER  31           HA       SER  31  43.194   5.396   7.285
  238   1HB   SER  31          1HB       SER  31  41.984   4.079   5.941
  239   2HB   SER  31          2HB       SER  31  43.035   4.550   4.611
  240    HG   SER  31           HG       SER  31  43.686   2.553   4.635
  241    HA   PRO  32           HA       PRO  32  46.626   2.049   7.701
  242   1HB   PRO  32          1HB       PRO  32  48.391   1.787   5.634
  243   2HB   PRO  32          2HB       PRO  32  46.808   0.993   5.666
  244   1HG   PRO  32          1HG       PRO  32  47.730   3.172   3.968
  245   2HG   PRO  32          2HG       PRO  32  46.268   2.184   3.824
  246   1HD   PRO  32          1HD       PRO  32  46.552   4.866   4.934
  247   2HD   PRO  32          2HD       PRO  32  45.070   3.971   4.559
  248    H    ALA  33           H        ALA  33  47.037   5.155   7.745
  249    HA   ALA  33           HA       ALA  33  49.988   5.269   7.809
  250   1HB   ALA  33          1HB       ALA  33  47.835   7.368   8.160
  251   2HB   ALA  33          2HB       ALA  33  49.552   7.706   8.383
  252   3HB   ALA  33          3HB       ALA  33  48.953   7.191   6.807
  253    H    ILE  34           H        ILE  34  47.750   6.846  10.047
  254    HA   ILE  34           HA       ILE  34  49.460   6.366  12.312
  255    HB   ILE  34           HB       ILE  34  46.512   7.080  12.316
  256   1HG1  ILE  34          1HG1      ILE  34  48.371   9.272  12.736
  257   2HG1  ILE  34          2HG1      ILE  34  48.653   8.502  11.174
  258   1HG2  ILE  34          1HG2      ILE  34  48.744   7.207  14.337
  259   2HG2  ILE  34          2HG2      ILE  34  47.363   8.297  14.453
  260   3HG2  ILE  34          3HG2      ILE  34  47.118   6.552  14.530
  261   1HD1  ILE  34          1HD1      ILE  34  45.853   8.659  11.445
  262   2HD1  ILE  34          2HD1      ILE  34  46.471  10.222  11.981
  263   3HD1  ILE  34          3HD1      ILE  34  46.872   9.620  10.373
  264    H    THR  35           H        THR  35  46.330   4.924  11.342
  265    HA   THR  35           HA       THR  35  46.142   3.076  13.493
  266    HB   THR  35           HB       THR  35  45.162   2.765  10.638
  267    HG1  THR  35           HG1      THR  35  44.465   4.619  11.954
  268   1HG2  THR  35          1HG2      THR  35  45.154   0.962  12.859
  269   2HG2  THR  35          2HG2      THR  35  43.498   1.499  12.574
  270   3HG2  THR  35          3HG2      THR  35  44.417   0.743  11.271
  271    H    PHE  36           H        PHE  36  48.220   3.122  10.738
  272    HA   PHE  36           HA       PHE  36  48.778   0.414  10.292
  273   1HB   PHE  36          1HB       PHE  36  49.853   2.732   9.396
  274   2HB   PHE  36          2HB       PHE  36  51.135   2.209  10.485
  275    HD1  PHE  36           HD1      PHE  36  48.870   0.826   7.828
  276    HD2  PHE  36           HD2      PHE  36  52.733   0.703   9.704
  277    HE1  PHE  36           HE1      PHE  36  49.629  -0.841   6.156
  278    HE2  PHE  36           HE2      PHE  36  53.492  -0.962   8.031
  279    HZ   PHE  36           HZ       PHE  36  51.941  -1.735   6.258
  280    H    GLY  37           H        GLY  37  48.980  -1.022  11.971
  281   1HA   GLY  37          1HA       GLY  37  51.333  -1.150  13.528
  282   2HA   GLY  37          2HA       GLY  37  50.104  -0.375  14.526
  283    H    GLY  38           H        GLY  38  47.879  -1.622  14.371
  284   1HA   GLY  38          1HA       GLY  38  47.032  -3.999  13.911
  285   2HA   GLY  38          2HA       GLY  38  48.512  -4.524  14.717
  286    H    LEU  39           H        LEU  39  45.583  -2.556  15.280
  287    HA   LEU  39           HA       LEU  39  45.944  -2.850  18.194
  288   1HB   LEU  39          1HB       LEU  39  43.767  -1.513  18.240
  289   2HB   LEU  39          2HB       LEU  39  45.153  -0.697  17.519
  290    HG   LEU  39           HG       LEU  39  43.578  -2.304  15.615
  291   1HD1  LEU  39          1HD1      LEU  39  42.353  -0.105  17.247
  292   2HD1  LEU  39          2HD1      LEU  39  41.936  -0.226  15.538
  293   3HD1  LEU  39          3HD1      LEU  39  41.611  -1.578  16.623
  294   1HD2  LEU  39          1HD2      LEU  39  45.414  -0.183  15.601
  295   2HD2  LEU  39          2HD2      LEU  39  44.549  -0.827  14.206
  296   3HD2  LEU  39          3HD2      LEU  39  43.888   0.543  15.099
  297    H    LEU  40           H        LEU  40  42.647  -2.870  17.659
  298    HA   LEU  40           HA       LEU  40  42.370  -5.555  18.645
  299   1HB   LEU  40          1HB       LEU  40  40.702  -3.549  18.790
  300   2HB   LEU  40          2HB       LEU  40  40.159  -4.099  17.205
  301    HG   LEU  40           HG       LEU  40  39.949  -6.429  18.260
  302   1HD1  LEU  40          1HD1      LEU  40  41.305  -5.430  20.326
  303   2HD1  LEU  40          2HD1      LEU  40  39.684  -5.007  20.877
  304   3HD1  LEU  40          3HD1      LEU  40  40.093  -6.691  20.552
  305   1HD2  LEU  40          1HD2      LEU  40  38.206  -4.187  18.220
  306   2HD2  LEU  40          2HD2      LEU  40  37.761  -5.892  18.272
  307   3HD2  LEU  40          3HD2      LEU  40  37.965  -4.989  19.773
  308    H    GLY  41           H        GLY  41  41.283  -4.223  15.496
  309   1HA   GLY  41          1HA       GLY  41  40.903  -5.376  13.472
  310   2HA   GLY  41          2HA       GLY  41  42.538  -5.972  13.759
  311    H    GLU  42           H        GLU  42  39.136  -6.725  14.019
  312    HA   GLU  42           HA       GLU  42  39.239  -9.112  15.523
  313   1HB   GLU  42          1HB       GLU  42  37.452  -8.095  13.340
  314   2HB   GLU  42          2HB       GLU  42  37.279  -9.766  13.878
  315   1HG   GLU  42          1HG       GLU  42  37.470  -8.368  16.260
  316   2HG   GLU  42          2HG       GLU  42  36.521  -7.285  15.241
  317    H    LYS  43           H        LYS  43  40.503  -8.434  12.384
  318    HA   LYS  43           HA       LYS  43  41.184 -11.328  12.093
  319   1HB   LYS  43          1HB       LYS  43  39.780  -9.545  10.200
  320   2HB   LYS  43          2HB       LYS  43  41.106 -10.473   9.496
  321   1HG   LYS  43          1HG       LYS  43  38.920 -11.700  11.197
  322   2HG   LYS  43          2HG       LYS  43  38.878 -11.657   9.435
  323   1HD   LYS  43          1HD       LYS  43  41.326 -12.689   9.726
  324   2HD   LYS  43          2HD       LYS  43  40.637 -13.245  11.251
  325   1HE   LYS  43          1HE       LYS  43  40.236 -14.963   9.599
  326   2HE   LYS  43          2HE       LYS  43  38.694 -14.181   9.945
  327   1HZ   LYS  43          1HZ       LYS  43  40.468 -13.473   7.672
  328   2HZ   LYS  43          2HZ       LYS  43  39.114 -14.488   7.553
  329   3HZ   LYS  43          3HZ       LYS  43  38.915 -12.855   7.978
  Start of MODEL   13
    1   1H    ACE   1           HA1      ACE   1  32.136  -0.406   1.124
    2   2H    ACE   1           HA2      ACE   1  30.425   0.023   1.121
    3   3H    ACE   1           HA3      ACE   1  30.990  -1.356   0.178
    4    H    ARG   2           H        ARG   2  32.846  -1.990   2.552
    5    HA   ARG   2           HA       ARG   2  30.955  -3.774   3.891
    6   1HB   ARG   2          1HB       ARG   2  33.802  -3.340   4.775
    7   2HB   ARG   2          2HB       ARG   2  32.841  -4.819   4.823
    8   1HG   ARG   2          1HG       ARG   2  32.891  -4.113   2.118
    9   2HG   ARG   2          2HG       ARG   2  34.531  -3.797   2.686
   10   1HD   ARG   2          1HD       ARG   2  33.686  -6.255   3.850
   11   2HD   ARG   2          2HD       ARG   2  33.302  -6.325   2.130
   12    HE   ARG   2           HE       ARG   2  35.670  -5.999   1.642
   13   1HH1  ARG   2          1HH1      ARG   2  35.270  -5.206   4.881
   14   2HH1  ARG   2          2HH1      ARG   2  36.671  -6.054   5.445
   15   1HH2  ARG   2          1HH2      ARG   2  37.302  -7.577   2.395
   16   2HH2  ARG   2          2HH2      ARG   2  37.822  -7.396   4.038
   17    H    TYR   3           H        TYR   3  30.967  -3.861   6.353
   18    HA   TYR   3           HA       TYR   3  30.249  -2.746   8.302
   19   1HB   TYR   3          1HB       TYR   3  32.859  -1.442   7.540
   20   2HB   TYR   3          2HB       TYR   3  31.984  -0.934   8.984
   21    HD1  TYR   3           HD1      TYR   3  32.459  -4.299   7.398
   22    HD2  TYR   3           HD2      TYR   3  33.058  -1.828  10.860
   23    HE1  TYR   3           HE1      TYR   3  33.364  -6.250   8.634
   24    HE2  TYR   3           HE2      TYR   3  33.963  -3.778  12.096
   25    HH   TYR   3           HH       TYR   3  35.050  -5.958  11.546
   26    HA   PRO   4           HA       PRO   4  28.449   0.913   6.003
   27   1HB   PRO   4          1HB       PRO   4  26.100  -0.218   5.210
   28   2HB   PRO   4          2HB       PRO   4  27.576  -0.275   4.233
   29   1HG   PRO   4          1HG       PRO   4  26.220  -2.440   5.648
   30   2HG   PRO   4          2HG       PRO   4  27.478  -2.527   4.405
   31   1HD   PRO   4          1HD       PRO   4  27.765  -2.786   7.284
   32   2HD   PRO   4          2HD       PRO   4  28.979  -3.039   6.021
   33    H    TYR   5           H        TYR   5  26.470  -1.520   7.737
   34    HA   TYR   5           HA       TYR   5  24.479   0.090   8.793
   35   1HB   TYR   5          1HB       TYR   5  25.074  -2.467   9.154
   36   2HB   TYR   5          2HB       TYR   5  25.806  -1.861  10.639
   37    HD1  TYR   5           HD1      TYR   5  22.635  -1.733   8.651
   38    HD2  TYR   5           HD2      TYR   5  24.471  -1.412  12.522
   39    HE1  TYR   5           HE1      TYR   5  20.393  -1.600   9.704
   40    HE2  TYR   5           HE2      TYR   5  22.229  -1.278  13.574
   41    HH   TYR   5           HH       TYR   5  19.606  -2.251  12.441
   42    H    TYR   6           H        TYR   6  27.830  -0.171   9.930
   43    HA   TYR   6           HA       TYR   6  27.272   1.682  12.162
   44   1HB   TYR   6          1HB       TYR   6  29.089  -0.370  11.823
   45   2HB   TYR   6          2HB       TYR   6  30.084   1.067  11.586
   46    HD1  TYR   6           HD1      TYR   6  30.049   2.896  13.347
   47    HD2  TYR   6           HD2      TYR   6  28.308  -0.979  13.982
   48    HE1  TYR   6           HE1      TYR   6  30.064   3.290  15.796
   49    HE2  TYR   6           HE2      TYR   6  28.324  -0.586  16.430
   50    HH   TYR   6           HH       TYR   6  29.985   2.112  17.847
   51    H    LEU   7           H        LEU   7  29.252   1.644   9.188
   52    HA   LEU   7           HA       LEU   7  30.085   4.408   9.543
   53   1HB   LEU   7          1HB       LEU   7  31.306   2.546   8.242
   54   2HB   LEU   7          2HB       LEU   7  30.160   2.879   6.943
   55    HG   LEU   7           HG       LEU   7  31.186   5.374   7.924
   56   1HD1  LEU   7          1HD1      LEU   7  33.063   3.455   8.407
   57   2HD1  LEU   7          2HD1      LEU   7  33.458   3.889   6.743
   58   3HD1  LEU   7          3HD1      LEU   7  33.454   5.126   8.000
   59   1HD2  LEU   7          1HD2      LEU   7  30.744   3.920   5.448
   60   2HD2  LEU   7          2HD2      LEU   7  30.755   5.661   5.727
   61   3HD2  LEU   7          3HD2      LEU   7  32.264   4.812   5.390
   62    H    SER   8           H        SER   8  28.120   2.912   6.938
   63    HA   SER   8           HA       SER   8  27.141   5.170   5.708
   64   1HB   SER   8          1HB       SER   8  25.572   2.676   6.418
   65   2HB   SER   8          2HB       SER   8  25.040   3.887   5.254
   66    HG   SER   8           HG       SER   8  26.794   3.408   3.982
   67    H    ASP   9           H        ASP   9  26.243   3.989   8.889
   68    HA   ASP   9           HA       ASP   9  23.849   5.327   9.378
   69   1HB   ASP   9          1HB       ASP   9  25.887   4.130  10.946
   70   2HB   ASP   9          2HB       ASP   9  25.576   5.720  11.644
   71    H    ILE  10           H        ILE  10  26.803   6.778  10.720
   72    HA   ILE  10           HA       ILE  10  25.714   9.417  10.665
   73    HB   ILE  10           HB       ILE  10  28.014   8.148  11.701
   74   1HG1  ILE  10          1HG1      ILE  10  26.993  10.994  11.842
   75   2HG1  ILE  10          2HG1      ILE  10  26.627   9.673  12.952
   76   1HG2  ILE  10          1HG2      ILE  10  29.267   8.904   9.697
   77   2HG2  ILE  10          2HG2      ILE  10  28.771  10.564  10.029
   78   3HG2  ILE  10          3HG2      ILE  10  29.825   9.716  11.160
   79   1HD1  ILE  10          1HD1      ILE  10  29.293   9.614  13.157
   80   2HD1  ILE  10          2HD1      ILE  10  29.110  11.310  12.708
   81   3HD1  ILE  10          3HD1      ILE  10  28.312  10.689  14.153
   82    H    THR  11           H        THR  11  27.583   7.614   8.299
   83    HA   THR  11           HA       THR  11  27.968  10.013   6.631
   84    HB   THR  11           HB       THR  11  29.328   8.642   5.235
   85    HG1  THR  11           HG1      THR  11  29.153   6.472   5.181
   86   1HG2  THR  11          1HG2      THR  11  30.040   9.046   7.723
   87   2HG2  THR  11          2HG2      THR  11  29.781   7.309   7.888
   88   3HG2  THR  11          3HG2      THR  11  30.966   7.917   6.733
   89    H    ASP  12           H        ASP  12  25.255   9.119   7.194
   90    HA   ASP  12           HA       ASP  12  24.272   7.737   4.826
   91   1HB   ASP  12          1HB       ASP  12  23.072   8.961   7.271
   92   2HB   ASP  12          2HB       ASP  12  22.028   8.747   5.866
   93    H    ALA  13           H        ALA  13  23.196  10.910   6.043
   94    HA   ALA  13           HA       ALA  13  23.090  11.814   3.212
   95   1HB   ALA  13          1HB       ALA  13  21.564  12.625   5.680
   96   2HB   ALA  13          2HB       ALA  13  21.573  13.628   4.230
   97   3HB   ALA  13          3HB       ALA  13  20.935  11.986   4.162
   98    H    PHE  14           H        PHE  14  24.625  12.458   6.262
   99    HA   PHE  14           HA       PHE  14  25.347  15.198   5.730
  100   1HB   PHE  14          1HB       PHE  14  25.713  13.339   7.841
  101   2HB   PHE  14          2HB       PHE  14  27.319  13.895   7.368
  102    HD1  PHE  14           HD1      PHE  14  27.654  16.448   7.073
  103    HD2  PHE  14           HD2      PHE  14  24.327  14.709   9.163
  104    HE1  PHE  14           HE1      PHE  14  27.245  18.607   8.220
  105    HE2  PHE  14           HE2      PHE  14  23.920  16.871  10.310
  106    HZ   PHE  14           HZ       PHE  14  25.378  18.819   9.837
  107    H    SER  15           H        SER  15  26.286  12.417   4.133
  108    HA   SER  15           HA       SER  15  28.594  13.832   2.965
  109   1HB   SER  15          1HB       SER  15  29.084  12.050   4.968
  110   2HB   SER  15          2HB       SER  15  29.132  10.989   3.564
  111    HG   SER  15           HG       SER  15  30.958  12.747   4.408
  112    HA   PRO  16           HA       PRO  16  26.177  11.416  -0.170
  113   1HB   PRO  16          1HB       PRO  16  24.965  13.546  -1.365
  114   2HB   PRO  16          2HB       PRO  16  24.280  12.712   0.039
  115   1HG   PRO  16          1HG       PRO  16  25.404  15.394  -0.128
  116   2HG   PRO  16          2HG       PRO  16  24.464  14.656   1.178
  117   1HD   PRO  16          1HD       PRO  16  27.359  14.997   0.978
  118   2HD   PRO  16          2HD       PRO  16  26.389  14.511   2.377
  119    H    GLN  17           H        GLN  17  27.076  14.752  -1.105
  120    HA   GLN  17           HA       GLN  17  28.047  14.129  -3.670
  121   1HB   GLN  17          1HB       GLN  17  28.476  16.352  -1.739
  122   2HB   GLN  17          2HB       GLN  17  29.655  16.204  -3.043
  123   1HG   GLN  17          1HG       GLN  17  28.173  16.900  -4.606
  124   2HG   GLN  17          2HG       GLN  17  26.889  15.876  -3.959
  125   1HE2  GLN  17          2HE2      GLN  17  25.496  17.877  -4.342
  126   2HE2  GLN  17          1HE2      GLN  17  25.477  19.079  -3.143
  127    H    VAL  18           H        VAL  18  29.980  14.575  -0.715
  128    HA   VAL  18           HA       VAL  18  32.440  13.662  -1.821
  129    HB   VAL  18           HB       VAL  18  31.405  13.517   1.016
  130   1HG1  VAL  18          1HG1      VAL  18  33.830  12.476  -0.228
  131   2HG1  VAL  18          2HG1      VAL  18  34.188  13.633   1.054
  132   3HG1  VAL  18          3HG1      VAL  18  33.207  12.208   1.399
  133   1HG2  VAL  18          1HG2      VAL  18  31.793  15.761  -0.316
  134   2HG2  VAL  18          2HG2      VAL  18  32.376  15.612   1.342
  135   3HG2  VAL  18          3HG2      VAL  18  33.494  15.411  -0.007
  136    H    LEU  19           H        LEU  19  29.662  11.902  -0.491
  137    HA   LEU  19           HA       LEU  19  30.727   9.363  -0.084
  138   1HB   LEU  19          1HB       LEU  19  28.198  10.290  -0.229
  139   2HB   LEU  19          2HB       LEU  19  28.280   9.470  -1.787
  140    HG   LEU  19           HG       LEU  19  29.249   7.470  -0.474
  141   1HD1  LEU  19          1HD1      LEU  19  29.628   8.866   1.600
  142   2HD1  LEU  19          2HD1      LEU  19  27.877   8.909   1.812
  143   3HD1  LEU  19          3HD1      LEU  19  28.736   7.370   1.881
  144   1HD2  LEU  19          1HD2      LEU  19  26.731   8.090  -1.289
  145   2HD2  LEU  19          2HD2      LEU  19  27.145   6.567  -0.502
  146   3HD2  LEU  19          3HD2      LEU  19  26.457   7.889   0.442
  147    H    ALA  20           H        ALA  20  29.906  10.887  -3.183
  148    HA   ALA  20           HA       ALA  20  30.670   8.642  -4.821
  149   1HB   ALA  20          1HB       ALA  20  29.438  11.038  -5.287
  150   2HB   ALA  20          2HB       ALA  20  31.044  11.348  -5.948
  151   3HB   ALA  20          3HB       ALA  20  30.084  10.000  -6.558
  152    H    ALA  21           H        ALA  21  32.363  11.684  -4.050
  153    HA   ALA  21           HA       ALA  21  34.802  11.175  -5.367
  154   1HB   ALA  21          1HB       ALA  21  33.942  13.243  -3.965
  155   2HB   ALA  21          2HB       ALA  21  34.784  12.444  -2.637
  156   3HB   ALA  21          3HB       ALA  21  35.674  12.931  -4.080
  157    H    VAL  22           H        VAL  22  34.173  10.596  -1.927
  158    HA   VAL  22           HA       VAL  22  36.487   9.173  -1.289
  159    HB   VAL  22           HB       VAL  22  33.676   9.181  -0.220
  160   1HG1  VAL  22          1HG1      VAL  22  35.761   7.102   0.285
  161   2HG1  VAL  22          2HG1      VAL  22  34.869   7.712   1.679
  162   3HG1  VAL  22          3HG1      VAL  22  34.003   6.968   0.335
  163   1HG2  VAL  22          1HG2      VAL  22  36.371  10.203   0.504
  164   2HG2  VAL  22          2HG2      VAL  22  34.784  10.928   0.764
  165   3HG2  VAL  22          3HG2      VAL  22  35.365   9.665   1.849
  166    H    ILE  23           H        ILE  23  33.461   7.950  -2.745
  167    HA   ILE  23           HA       ILE  23  34.250   5.183  -2.659
  168    HB   ILE  23           HB       ILE  23  32.267   6.694  -4.375
  169   1HG1  ILE  23          1HG1      ILE  23  31.866   4.610  -2.209
  170   2HG1  ILE  23          2HG1      ILE  23  31.849   6.347  -1.902
  171   1HG2  ILE  23          1HG2      ILE  23  32.953   3.743  -4.326
  172   2HG2  ILE  23          2HG2      ILE  23  31.432   4.367  -4.965
  173   3HG2  ILE  23          3HG2      ILE  23  32.959   4.824  -5.721
  174   1HD1  ILE  23          1HD1      ILE  23  30.021   4.907  -3.848
  175   2HD1  ILE  23          2HD1      ILE  23  29.559   5.448  -2.234
  176   3HD1  ILE  23          3HD1      ILE  23  29.984   6.630  -3.471
  177    H    PHE  24           H        PHE  24  34.909   7.798  -4.890
  178    HA   PHE  24           HA       PHE  24  35.807   6.299  -7.130
  179   1HB   PHE  24          1HB       PHE  24  35.542   8.881  -6.827
  180   2HB   PHE  24          2HB       PHE  24  37.181   8.824  -6.184
  181    HD1  PHE  24           HD1      PHE  24  35.579   6.843  -8.926
  182    HD2  PHE  24           HD2      PHE  24  38.585   9.715  -7.846
  183    HE1  PHE  24           HE1      PHE  24  36.483   6.763 -11.234
  184    HE2  PHE  24           HE2      PHE  24  39.490   9.635 -10.154
  185    HZ   PHE  24           HZ       PHE  24  38.439   8.159 -11.848
  186    H    ILE  25           H        ILE  25  37.626   7.514  -4.302
  187    HA   ILE  25           HA       ILE  25  40.080   6.171  -5.015
  188    HB   ILE  25           HB       ILE  25  39.087   7.006  -2.265
  189   1HG1  ILE  25          1HG1      ILE  25  41.091   8.707  -3.495
  190   2HG1  ILE  25          2HG1      ILE  25  39.661   8.593  -4.522
  191   1HG2  ILE  25          1HG2      ILE  25  41.537   5.756  -3.264
  192   2HG2  ILE  25          2HG2      ILE  25  41.852   7.261  -2.400
  193   3HG2  ILE  25          3HG2      ILE  25  40.977   5.953  -1.603
  194   1HD1  ILE  25          1HD1      ILE  25  38.564   8.865  -2.003
  195   2HD1  ILE  25          2HD1      ILE  25  39.987   9.904  -1.915
  196   3HD1  ILE  25          3HD1      ILE  25  38.773  10.176  -3.165
  197    H    TYR  26           H        TYR  26  37.218   5.255  -3.104
  198    HA   TYR  26           HA       TYR  26  38.271   2.777  -2.098
  199   1HB   TYR  26          1HB       TYR  26  35.486   3.798  -2.666
  200   2HB   TYR  26          2HB       TYR  26  35.744   2.133  -2.153
  201    HD1  TYR  26           HD1      TYR  26  37.738   5.102  -1.113
  202    HD2  TYR  26           HD2      TYR  26  34.802   2.185   0.036
  203    HE1  TYR  26           HE1      TYR  26  37.913   5.853   1.243
  204    HE2  TYR  26           HE2      TYR  26  34.978   2.936   2.392
  205    HH   TYR  26           HH       TYR  26  37.130   5.631   3.304
  206    H    PHE  27           H        PHE  27  37.244   3.869  -5.184
  207    HA   PHE  27           HA       PHE  27  36.786   1.221  -6.339
  208   1HB   PHE  27          1HB       PHE  27  36.474   4.019  -7.119
  209   2HB   PHE  27          2HB       PHE  27  37.234   3.072  -8.399
  210    HD1  PHE  27           HD1      PHE  27  34.737   2.034  -5.813
  211    HD2  PHE  27           HD2      PHE  27  35.535   2.675  -9.984
  212    HE1  PHE  27           HE1      PHE  27  32.535   1.048  -6.386
  213    HE2  PHE  27           HE2      PHE  27  33.333   1.689 -10.557
  214    HZ   PHE  27           HZ       PHE  27  31.833   0.876  -8.759
  215    H    ALA  28           H        ALA  28  39.302   3.634  -6.100
  216    HA   ALA  28           HA       ALA  28  41.163   2.539  -7.972
  217   1HB   ALA  28          1HB       ALA  28  41.162   4.520  -5.796
  218   2HB   ALA  28          2HB       ALA  28  42.711   3.704  -6.001
  219   3HB   ALA  28          3HB       ALA  28  41.984   4.569  -7.355
  220    H    ALA  29           H        ALA  29  41.092   2.257  -4.408
  221    HA   ALA  29           HA       ALA  29  43.126   0.245  -4.258
  222   1HB   ALA  29          1HB       ALA  29  41.123   1.439  -2.436
  223   2HB   ALA  29          2HB       ALA  29  41.652  -0.189  -2.012
  224   3HB   ALA  29          3HB       ALA  29  42.835   1.111  -2.167
  225    H    LEU  30           H        LEU  30  39.580  -0.070  -3.916
  226    HA   LEU  30           HA       LEU  30  39.748  -2.983  -4.089
  227   1HB   LEU  30          1HB       LEU  30  37.443  -1.035  -3.944
  228   2HB   LEU  30          2HB       LEU  30  37.204  -2.775  -4.117
  229    HG   LEU  30           HG       LEU  30  39.060  -2.602  -2.068
  230   1HD1  LEU  30          1HD1      LEU  30  37.434  -0.143  -2.193
  231   2HD1  LEU  30          2HD1      LEU  30  37.414  -0.952  -0.626
  232   3HD1  LEU  30          3HD1      LEU  30  38.947  -0.450  -1.340
  233   1HD2  LEU  30          1HD2      LEU  30  36.073  -2.955  -2.199
  234   2HD2  LEU  30          2HD2      LEU  30  37.317  -4.161  -1.871
  235   3HD2  LEU  30          3HD2      LEU  30  36.895  -2.973  -0.639
  236    H    SER  31           H        SER  31  40.536  -1.169  -6.451
  237    HA   SER  31           HA       SER  31  38.638  -1.482  -8.539
  238   1HB   SER  31          1HB       SER  31  41.031  -0.242  -8.340
  239   2HB   SER  31          2HB       SER  31  41.509  -1.672  -9.250
  240    HG   SER  31           HG       SER  31  40.743  -0.578 -10.879
  241    HA   PRO  32           HA       PRO  32  40.853  -5.683  -9.404
  242   1HB   PRO  32          1HB       PRO  32  42.970  -6.334  -7.811
  243   2HB   PRO  32          2HB       PRO  32  43.117  -5.324  -9.258
  244   1HG   PRO  32          1HG       PRO  32  43.393  -4.567  -6.457
  245   2HG   PRO  32          2HG       PRO  32  43.828  -3.656  -7.911
  246   1HD   PRO  32          1HD       PRO  32  41.458  -3.387  -6.240
  247   2HD   PRO  32          2HD       PRO  32  42.005  -2.337  -7.559
  248    H    ALA  33           H        ALA  33  39.787  -4.751  -6.331
  249    HA   ALA  33           HA       ALA  33  39.871  -7.380  -5.068
  250   1HB   ALA  33          1HB       ALA  33  39.008  -4.678  -4.352
  251   2HB   ALA  33          2HB       ALA  33  37.899  -5.917  -3.767
  252   3HB   ALA  33          3HB       ALA  33  39.602  -5.974  -3.314
  253    H    ILE  34           H        ILE  34  37.587  -5.574  -7.038
  254    HA   ILE  34           HA       ILE  34  35.500  -7.616  -6.605
  255    HB   ILE  34           HB       ILE  34  34.367  -6.107  -8.475
  256   1HG1  ILE  34          1HG1      ILE  34  36.348  -4.197  -7.199
  257   2HG1  ILE  34          2HG1      ILE  34  36.500  -4.818  -8.842
  258   1HG2  ILE  34          1HG2      ILE  34  33.869  -6.420  -5.945
  259   2HG2  ILE  34          2HG2      ILE  34  34.718  -4.888  -5.743
  260   3HG2  ILE  34          3HG2      ILE  34  33.265  -4.965  -6.739
  261   1HD1  ILE  34          1HD1      ILE  34  33.885  -3.604  -8.073
  262   2HD1  ILE  34          2HD1      ILE  34  35.246  -2.510  -8.321
  263   3HD1  ILE  34          3HD1      ILE  34  34.722  -3.576  -9.625
  264    H    THR  35           H        THR  35  37.867  -6.661  -9.008
  265    HA   THR  35           HA       THR  35  36.743  -8.320 -11.119
  266    HB   THR  35           HB       THR  35  39.466  -7.967 -11.672
  267    HG1  THR  35           HG1      THR  35  39.460  -5.586 -11.242
  268   1HG2  THR  35          1HG2      THR  35  36.893  -7.100 -12.617
  269   2HG2  THR  35          2HG2      THR  35  38.028  -5.753 -12.699
  270   3HG2  THR  35          3HG2      THR  35  38.398  -7.269 -13.520
  271    H    PHE  36           H        PHE  36  38.806  -8.841  -8.382
  272    HA   PHE  36           HA       PHE  36  40.362 -11.036  -9.090
  273   1HB   PHE  36          1HB       PHE  36  39.979  -9.871  -6.768
  274   2HB   PHE  36          2HB       PHE  36  38.766 -11.129  -6.540
  275    HD1  PHE  36           HD1      PHE  36  42.354 -10.621  -7.476
  276    HD2  PHE  36           HD2      PHE  36  39.406 -13.286  -5.844
  277    HE1  PHE  36           HE1      PHE  36  44.142 -12.232  -6.875
  278    HE2  PHE  36           HE2      PHE  36  41.195 -14.896  -5.242
  279    HZ   PHE  36           HZ       PHE  36  43.562 -14.368  -5.757
  280    H    GLY  37           H        GLY  37  37.108 -11.400  -7.624
  281   1HA   GLY  37          1HA       GLY  37  35.458 -13.027  -7.997
  282   2HA   GLY  37          2HA       GLY  37  36.096 -13.148  -9.637
  283    H    GLY  38           H        GLY  38  36.945 -14.155  -6.303
  284   1HA   GLY  38          1HA       GLY  38  37.124 -16.920  -6.932
  285   2HA   GLY  38          2HA       GLY  38  38.739 -16.230  -7.087
  286    H    LEU  39           H        LEU  39  36.355 -15.051  -4.778
  287    HA   LEU  39           HA       LEU  39  38.254 -15.660  -2.601
  288   1HB   LEU  39          1HB       LEU  39  35.682 -14.067  -2.731
  289   2HB   LEU  39          2HB       LEU  39  36.577 -14.330  -1.234
  290    HG   LEU  39           HG       LEU  39  38.595 -13.501  -2.842
  291   1HD1  LEU  39          1HD1      LEU  39  36.190 -12.878  -4.267
  292   2HD1  LEU  39          2HD1      LEU  39  36.916 -11.367  -3.719
  293   3HD1  LEU  39          3HD1      LEU  39  37.853 -12.488  -4.707
  294   1HD2  LEU  39          1HD2      LEU  39  36.832 -12.297  -0.836
  295   2HD2  LEU  39          2HD2      LEU  39  38.586 -12.197  -0.989
  296   3HD2  LEU  39          3HD2      LEU  39  37.557 -11.100  -1.909
  297    H    LEU  40           H        LEU  40  37.958 -17.999  -2.552
  298    HA   LEU  40           HA       LEU  40  35.292 -19.091  -2.031
  299   1HB   LEU  40          1HB       LEU  40  38.075 -20.261  -2.112
  300   2HB   LEU  40          2HB       LEU  40  36.711 -21.205  -1.515
  301    HG   LEU  40           HG       LEU  40  36.930 -21.704  -3.854
  302   1HD1  LEU  40          1HD1      LEU  40  34.616 -20.788  -2.766
  303   2HD1  LEU  40          2HD1      LEU  40  34.785 -19.681  -4.129
  304   3HD1  LEU  40          3HD1      LEU  40  34.736 -21.422  -4.407
  305   1HD2  LEU  40          1HD2      LEU  40  38.010 -19.156  -4.032
  306   2HD2  LEU  40          2HD2      LEU  40  37.659 -20.217  -5.397
  307   3HD2  LEU  40          3HD2      LEU  40  36.481 -19.003  -4.898
  308    H    GLY  41           H        GLY  41  38.101 -18.137  -0.129
  309   1HA   GLY  41          1HA       GLY  41  38.392 -17.981   2.195
  310   2HA   GLY  41          2HA       GLY  41  36.639 -17.802   2.273
  311    H    GLU  42           H        GLU  42  37.856 -19.175   4.308
  312    HA   GLU  42           HA       GLU  42  37.947 -22.037   3.790
  313   1HB   GLU  42          1HB       GLU  42  38.233 -20.255   6.155
  314   2HB   GLU  42          2HB       GLU  42  37.709 -21.909   6.474
  315   1HG   GLU  42          1HG       GLU  42  39.685 -22.833   5.703
  316   2HG   GLU  42          2HG       GLU  42  40.004 -21.494   4.601
  317    H    LYS  43           H        LYS  43  35.475 -19.741   4.640
  318    HA   LYS  43           HA       LYS  43  33.561 -21.201   5.994
  319   1HB   LYS  43          1HB       LYS  43  33.448 -18.824   4.858
  320   2HB   LYS  43          2HB       LYS  43  32.686 -19.715   3.538
  321   1HG   LYS  43          1HG       LYS  43  31.610 -20.542   6.105
  322   2HG   LYS  43          2HG       LYS  43  31.433 -18.802   5.876
  323   1HD   LYS  43          1HD       LYS  43  30.565 -20.933   3.900
  324   2HD   LYS  43          2HD       LYS  43  29.490 -20.013   4.953
  325   1HE   LYS  43          1HE       LYS  43  30.480 -17.910   3.880
  326   2HE   LYS  43          2HE       LYS  43  31.179 -18.984   2.668
  327   1HZ   LYS  43          1HZ       LYS  43  28.292 -18.883   3.349
  328   2HZ   LYS  43          2HZ       LYS  43  28.993 -18.068   2.034
  329   3HZ   LYS  43          3HZ       LYS  43  29.011 -19.763   2.087
  Start of MODEL   14
    1   1H    ACE   1           HA1      ACE   1  26.795  -8.397   3.972
    2   2H    ACE   1           HA2      ACE   1  26.881  -7.668   5.576
    3   3H    ACE   1           HA3      ACE   1  26.468  -6.676   4.177
    4    H    ARG   2           H        ARG   2  24.921  -7.203   6.682
    5    HA   ARG   2           HA       ARG   2  22.446  -8.251   5.368
    6   1HB   ARG   2          1HB       ARG   2  23.605  -9.696   7.241
    7   2HB   ARG   2          2HB       ARG   2  22.876  -8.515   8.330
    8   1HG   ARG   2          1HG       ARG   2  20.748  -9.240   7.908
    9   2HG   ARG   2          2HG       ARG   2  21.096  -9.596   6.216
   10   1HD   ARG   2          1HD       ARG   2  21.154 -11.773   6.810
   11   2HD   ARG   2          2HD       ARG   2  22.679 -11.411   7.619
   12    HE   ARG   2           HE       ARG   2  20.112 -11.876   8.930
   13   1HH1  ARG   2          1HH1      ARG   2  23.320 -12.050   9.477
   14   2HH1  ARG   2          2HH1      ARG   2  23.326 -11.274  11.025
   15   1HH2  ARG   2          1HH2      ARG   2  20.054 -10.147  10.768
   16   2HH2  ARG   2          2HH2      ARG   2  21.475 -10.196  11.758
   17    H    TYR   3           H        TYR   3  23.675  -6.269   8.077
   18    HA   TYR   3           HA       TYR   3  21.440  -4.930   8.925
   19   1HB   TYR   3          1HB       TYR   3  24.267  -4.106   8.523
   20   2HB   TYR   3          2HB       TYR   3  23.101  -2.808   8.775
   21    HD1  TYR   3           HD1      TYR   3  22.466  -6.136  10.166
   22    HD2  TYR   3           HD2      TYR   3  24.096  -2.244  10.971
   23    HE1  TYR   3           HE1      TYR   3  22.442  -6.629  12.596
   24    HE2  TYR   3           HE2      TYR   3  24.072  -2.737  13.401
   25    HH   TYR   3           HH       TYR   3  23.484  -4.185  14.976
   26    HA   PRO   4           HA       PRO   4  20.108  -3.202   4.929
   27   1HB   PRO   4          1HB       PRO   4  17.471  -3.750   5.356
   28   2HB   PRO   4          2HB       PRO   4  18.614  -4.937   4.705
   29   1HG   PRO   4          1HG       PRO   4  17.315  -4.869   7.323
   30   2HG   PRO   4          2HG       PRO   4  18.161  -6.203   6.523
   31   1HD   PRO   4          1HD       PRO   4  19.150  -4.433   8.594
   32   2HD   PRO   4          2HD       PRO   4  19.937  -5.852   7.886
   33    H    TYR   5           H        TYR   5  19.104  -2.619   8.233
   34    HA   TYR   5           HA       TYR   5  17.687  -0.135   7.514
   35   1HB   TYR   5          1HB       TYR   5  17.306  -1.946   9.523
   36   2HB   TYR   5          2HB       TYR   5  18.252  -0.714  10.358
   37    HD1  TYR   5           HD1      TYR   5  17.490   1.763  10.035
   38    HD2  TYR   5           HD2      TYR   5  14.999  -1.640   9.213
   39    HE1  TYR   5           HE1      TYR   5  15.474   3.197  10.203
   40    HE2  TYR   5           HE2      TYR   5  12.984  -0.204   9.379
   41    HH   TYR   5           HH       TYR   5  12.513   2.148  10.704
   42    H    TYR   6           H        TYR   6  20.849  -1.122   8.215
   43    HA   TYR   6           HA       TYR   6  21.656   1.435   9.450
   44   1HB   TYR   6          1HB       TYR   6  22.603  -1.061   9.793
   45   2HB   TYR   6          2HB       TYR   6  23.681  -0.530   8.501
   46    HD1  TYR   6           HD1      TYR   6  22.456   0.275  11.918
   47    HD2  TYR   6           HD2      TYR   6  25.401   1.081   8.896
   48    HE1  TYR   6           HE1      TYR   6  23.779   1.582  13.557
   49    HE2  TYR   6           HE2      TYR   6  26.725   2.390  10.536
   50    HH   TYR   6           HH       TYR   6  26.038   3.723  12.804
   51    H    LEU   7           H        LEU   7  22.202  -0.337   6.409
   52    HA   LEU   7           HA       LEU   7  23.716   1.927   5.304
   53   1HB   LEU   7          1HB       LEU   7  23.229  -0.883   4.602
   54   2HB   LEU   7          2HB       LEU   7  23.254   0.203   3.211
   55    HG   LEU   7           HG       LEU   7  25.521  -0.643   3.709
   56   1HD1  LEU   7          1HD1      LEU   7  24.751   2.007   3.300
   57   2HD1  LEU   7          2HD1      LEU   7  25.920   2.102   4.617
   58   3HD1  LEU   7          3HD1      LEU   7  26.375   1.354   3.086
   59   1HD2  LEU   7          1HD2      LEU   7  24.668  -0.076   6.406
   60   2HD2  LEU   7          2HD2      LEU   7  26.112  -0.933   5.866
   61   3HD2  LEU   7          3HD2      LEU   7  26.147   0.819   6.059
   62    H    SER   8           H        SER   8  20.547   0.403   4.848
   63    HA   SER   8           HA       SER   8  19.854   2.220   2.664
   64   1HB   SER   8          1HB       SER   8  18.063   0.341   4.218
   65   2HB   SER   8          2HB       SER   8  17.708   1.081   2.660
   66    HG   SER   8           HG       SER   8  20.055  -0.428   2.995
   67    H    ASP   9           H        ASP   9  20.380   3.207   5.578
   68    HA   ASP   9           HA       ASP   9  17.740   4.381   6.161
   69   1HB   ASP   9          1HB       ASP   9  19.058   5.451   8.097
   70   2HB   ASP   9          2HB       ASP   9  18.849   3.701   8.136
   71    H    ILE  10           H        ILE  10  20.302   6.485   6.991
   72    HA   ILE  10           HA       ILE  10  19.358   8.401   4.963
   73    HB   ILE  10           HB       ILE  10  21.390   8.840   7.165
   74   1HG1  ILE  10          1HG1      ILE  10  19.318   8.062   8.180
   75   2HG1  ILE  10          2HG1      ILE  10  19.442   9.804   8.422
   76   1HG2  ILE  10          1HG2      ILE  10  20.128  10.495   5.090
   77   2HG2  ILE  10          2HG2      ILE  10  19.992  11.178   6.710
   78   3HG2  ILE  10          3HG2      ILE  10  21.580  10.802   6.042
   79   1HD1  ILE  10          1HD1      ILE  10  17.987  10.169   6.448
   80   2HD1  ILE  10          2HD1      ILE  10  17.834   8.423   6.254
   81   3HD1  ILE  10          3HD1      ILE  10  17.175   9.211   7.687
   82    H    THR  11           H        THR  11  22.151   6.430   5.668
   83    HA   THR  11           HA       THR  11  24.147   7.803   4.220
   84    HB   THR  11           HB       THR  11  25.222   5.586   3.948
   85    HG1  THR  11           HG1      THR  11  22.717   4.687   4.927
   86   1HG2  THR  11          1HG2      THR  11  25.316   6.811   6.114
   87   2HG2  THR  11          2HG2      THR  11  23.885   5.929   6.646
   88   3HG2  THR  11          3HG2      THR  11  25.386   5.061   6.325
   89    H    ASP  12           H        ASP  12  21.458   5.855   3.050
   90    HA   ASP  12           HA       ASP  12  22.259   5.224   0.460
   91   1HB   ASP  12          1HB       ASP  12  19.950   5.248  -0.169
   92   2HB   ASP  12          2HB       ASP  12  19.986   4.793   1.534
   93    H    ALA  13           H        ALA  13  21.264   8.390   1.708
   94    HA   ALA  13           HA       ALA  13  21.743   9.580  -0.963
   95   1HB   ALA  13          1HB       ALA  13  19.725  10.122   0.629
   96   2HB   ALA  13          2HB       ALA  13  20.896  11.157   1.447
   97   3HB   ALA  13          3HB       ALA  13  20.512  11.432  -0.252
   98    H    PHE  14           H        PHE  14  23.128   9.395   2.244
   99    HA   PHE  14           HA       PHE  14  24.791  11.626   2.339
  100   1HB   PHE  14          1HB       PHE  14  24.816  10.091   4.186
  101   2HB   PHE  14          2HB       PHE  14  25.352   8.765   3.153
  102    HD1  PHE  14           HD1      PHE  14  26.504  12.321   3.464
  103    HD2  PHE  14           HD2      PHE  14  27.523   8.159   3.785
  104    HE1  PHE  14           HE1      PHE  14  28.868  12.932   3.897
  105    HE2  PHE  14           HE2      PHE  14  29.886   8.773   4.218
  106    HZ   PHE  14           HZ       PHE  14  30.560  11.159   4.273
  107    H    SER  15           H        SER  15  25.507   8.530   0.734
  108    HA   SER  15           HA       SER  15  27.313  10.010  -1.097
  109   1HB   SER  15          1HB       SER  15  28.975   9.114   0.225
  110   2HB   SER  15          2HB       SER  15  27.973   7.762   0.742
  111    HG   SER  15           HG       SER  15  28.722   6.641  -0.867
  112    HA   PRO  16           HA       PRO  16  24.830   7.197  -3.714
  113   1HB   PRO  16          1HB       PRO  16  23.968   9.161  -5.400
  114   2HB   PRO  16          2HB       PRO  16  23.158   8.797  -3.866
  115   1HG   PRO  16          1HG       PRO  16  24.685  11.160  -4.604
  116   2HG   PRO  16          2HG       PRO  16  23.674  10.888  -3.177
  117   1HD   PRO  16          1HD       PRO  16  26.590  10.691  -3.430
  118   2HD   PRO  16          2HD       PRO  16  25.596  10.753  -1.966
  119    H    GLN  17           H        GLN  17  26.064  10.048  -5.446
  120    HA   GLN  17           HA       GLN  17  27.283   8.441  -7.517
  121   1HB   GLN  17          1HB       GLN  17  27.806  11.339  -6.774
  122   2HB   GLN  17          2HB       GLN  17  28.196  10.572  -8.314
  123   1HG   GLN  17          1HG       GLN  17  25.372  10.370  -7.400
  124   2HG   GLN  17          2HG       GLN  17  25.921  11.961  -7.928
  125   1HE2  GLN  17          2HE2      GLN  17  27.580  11.467 -10.051
  126   2HE2  GLN  17          1HE2      GLN  17  26.777  10.601 -11.270
  127    H    VAL  18           H        VAL  18  28.171   9.480  -4.379
  128    HA   VAL  18           HA       VAL  18  31.062   9.241  -4.761
  129    HB   VAL  18           HB       VAL  18  29.585   9.222  -2.148
  130   1HG1  VAL  18          1HG1      VAL  18  32.343   9.853  -3.118
  131   2HG1  VAL  18          2HG1      VAL  18  31.729  10.754  -1.732
  132   3HG1  VAL  18          3HG1      VAL  18  31.840   8.995  -1.661
  133   1HG2  VAL  18          1HG2      VAL  18  29.837  11.393  -4.160
  134   2HG2  VAL  18          2HG2      VAL  18  28.602  11.146  -2.926
  135   3HG2  VAL  18          3HG2      VAL  18  30.161  11.843  -2.486
  136    H    LEU  19           H        LEU  19  28.390   7.161  -4.020
  137    HA   LEU  19           HA       LEU  19  29.945   5.109  -2.671
  138   1HB   LEU  19          1HB       LEU  19  27.296   5.473  -2.900
  139   2HB   LEU  19          2HB       LEU  19  27.521   4.365  -4.251
  140    HG   LEU  19           HG       LEU  19  28.924   3.608  -1.757
  141   1HD1  LEU  19          1HD1      LEU  19  26.141   4.354  -1.697
  142   2HD1  LEU  19          2HD1      LEU  19  26.286   2.613  -1.458
  143   3HD1  LEU  19          3HD1      LEU  19  27.140   3.724  -0.388
  144   1HD2  LEU  19          1HD2      LEU  19  28.093   2.430  -4.180
  145   2HD2  LEU  19          2HD2      LEU  19  28.864   1.617  -2.818
  146   3HD2  LEU  19          3HD2      LEU  19  27.105   1.678  -2.928
  147    H    ALA  20           H        ALA  20  28.703   5.479  -6.015
  148    HA   ALA  20           HA       ALA  20  30.056   3.173  -7.068
  149   1HB   ALA  20          1HB       ALA  20  28.409   5.242  -8.079
  150   2HB   ALA  20          2HB       ALA  20  29.909   5.316  -9.004
  151   3HB   ALA  20          3HB       ALA  20  28.982   3.818  -8.948
  152    H    ALA  21           H        ALA  21  30.904   6.632  -7.161
  153    HA   ALA  21           HA       ALA  21  33.451   6.488  -8.325
  154   1HB   ALA  21          1HB       ALA  21  32.174   8.561  -7.531
  155   2HB   ALA  21          2HB       ALA  21  32.797   8.207  -5.919
  156   3HB   ALA  21          3HB       ALA  21  33.913   8.575  -7.235
  157    H    VAL  22           H        VAL  22  32.543   6.125  -4.952
  158    HA   VAL  22           HA       VAL  22  34.977   5.797  -3.681
  159    HB   VAL  22           HB       VAL  22  32.254   4.653  -3.250
  160   1HG1  VAL  22          1HG1      VAL  22  34.765   3.408  -2.228
  161   2HG1  VAL  22          2HG1      VAL  22  33.443   3.613  -1.078
  162   3HG1  VAL  22          3HG1      VAL  22  33.195   2.672  -2.548
  163   1HG2  VAL  22          1HG2      VAL  22  33.129   6.897  -2.414
  164   2HG2  VAL  22          2HG2      VAL  22  32.420   5.852  -1.184
  165   3HG2  VAL  22          3HG2      VAL  22  34.172   5.984  -1.327
  166    H    ILE  23           H        ILE  23  33.219   3.311  -5.553
  167    HA   ILE  23           HA       ILE  23  35.195   1.265  -5.070
  168    HB   ILE  23           HB       ILE  23  33.204   1.522  -7.346
  169   1HG1  ILE  23          1HG1      ILE  23  32.260   1.486  -4.995
  170   2HG1  ILE  23          2HG1      ILE  23  31.759   0.123  -5.997
  171   1HG2  ILE  23          1HG2      ILE  23  35.265  -0.456  -6.645
  172   2HG2  ILE  23          2HG2      ILE  23  33.661  -1.156  -6.863
  173   3HG2  ILE  23          3HG2      ILE  23  34.401  -0.225  -8.165
  174   1HD1  ILE  23          1HD1      ILE  23  34.220  -0.591  -4.749
  175   2HD1  ILE  23          2HD1      ILE  23  33.163   0.065  -3.500
  176   3HD1  ILE  23          3HD1      ILE  23  32.625  -1.297  -4.483
  177    H    PHE  24           H        PHE  24  34.789   3.723  -7.593
  178    HA   PHE  24           HA       PHE  24  36.766   2.824  -9.417
  179   1HB   PHE  24          1HB       PHE  24  35.228   5.176  -9.019
  180   2HB   PHE  24          2HB       PHE  24  36.909   5.700  -9.072
  181    HD1  PHE  24           HD1      PHE  24  38.330   4.326 -10.968
  182    HD2  PHE  24           HD2      PHE  24  34.115   5.147 -11.052
  183    HE1  PHE  24           HE1      PHE  24  38.329   4.069 -13.435
  184    HE2  PHE  24           HE2      PHE  24  34.114   4.893 -13.518
  185    HZ   PHE  24           HZ       PHE  24  36.220   4.352 -14.709
  186    H    ILE  25           H        ILE  25  37.119   4.984  -6.587
  187    HA   ILE  25           HA       ILE  25  40.019   5.059  -6.781
  188    HB   ILE  25           HB       ILE  25  38.325   5.584  -4.317
  189   1HG1  ILE  25          1HG1      ILE  25  37.563   6.807  -6.444
  190   2HG1  ILE  25          2HG1      ILE  25  37.970   7.822  -5.060
  191   1HG2  ILE  25          1HG2      ILE  25  41.126   6.105  -5.170
  192   2HG2  ILE  25          2HG2      ILE  25  40.324   7.388  -4.263
  193   3HG2  ILE  25          3HG2      ILE  25  40.481   5.777  -3.562
  194   1HD1  ILE  25          1HD1      ILE  25  40.251   7.193  -6.823
  195   2HD1  ILE  25          2HD1      ILE  25  38.990   8.169  -7.577
  196   3HD1  ILE  25          3HD1      ILE  25  39.774   8.730  -6.101
  197    H    TYR  26           H        TYR  26  37.650   2.936  -5.327
  198    HA   TYR  26           HA       TYR  26  39.524   1.591  -3.555
  199   1HB   TYR  26          1HB       TYR  26  36.729   1.510  -4.052
  200   2HB   TYR  26          2HB       TYR  26  37.344  -0.112  -4.368
  201    HD1  TYR  26           HD1      TYR  26  39.353  -0.730  -2.562
  202    HD2  TYR  26           HD2      TYR  26  35.973   1.830  -1.876
  203    HE1  TYR  26           HE1      TYR  26  39.547  -1.129  -0.122
  204    HE2  TYR  26           HE2      TYR  26  36.166   1.431   0.565
  205    HH   TYR  26           HH       TYR  26  37.193   0.251   2.161
  206    H    PHE  27           H        PHE  27  38.905   1.627  -6.891
  207    HA   PHE  27           HA       PHE  27  39.983  -1.061  -7.422
  208   1HB   PHE  27          1HB       PHE  27  38.160   0.520  -8.726
  209   2HB   PHE  27          2HB       PHE  27  39.627   0.881  -9.634
  210    HD1  PHE  27           HD1      PHE  27  38.510  -2.262  -7.936
  211    HD2  PHE  27           HD2      PHE  27  39.505  -0.336 -11.642
  212    HE1  PHE  27           HE1      PHE  27  38.303  -4.431  -9.119
  213    HE2  PHE  27           HE2      PHE  27  39.299  -2.506 -12.827
  214    HZ   PHE  27           HZ       PHE  27  38.697  -4.554 -11.564
  215    H    ALA  28           H        ALA  28  40.807   2.328  -7.629
  216    HA   ALA  28           HA       ALA  28  43.310   2.073  -9.010
  217   1HB   ALA  28          1HB       ALA  28  41.692   4.141  -8.111
  218   2HB   ALA  28          2HB       ALA  28  43.114   4.276  -7.078
  219   3HB   ALA  28          3HB       ALA  28  43.289   4.341  -8.832
  220    H    ALA  29           H        ALA  29  42.625   2.647  -5.563
  221    HA   ALA  29           HA       ALA  29  45.277   2.347  -4.607
  222   1HB   ALA  29          1HB       ALA  29  42.542   2.156  -3.419
  223   2HB   ALA  29          2HB       ALA  29  43.908   1.589  -2.459
  224   3HB   ALA  29          3HB       ALA  29  43.860   3.260  -3.023
  225    H    LEU  30           H        LEU  30  42.643  -0.053  -4.680
  226    HA   LEU  30           HA       LEU  30  44.253  -2.169  -3.619
  227   1HB   LEU  30          1HB       LEU  30  42.267  -3.203  -3.473
  228   2HB   LEU  30          2HB       LEU  30  41.548  -1.784  -4.221
  229    HG   LEU  30           HG       LEU  30  42.323  -3.005  -6.465
  230   1HD1  LEU  30          1HD1      LEU  30  43.218  -4.871  -4.727
  231   2HD1  LEU  30          2HD1      LEU  30  41.568  -5.453  -4.949
  232   3HD1  LEU  30          3HD1      LEU  30  42.635  -5.278  -6.341
  233   1HD2  LEU  30          1HD2      LEU  30  39.904  -3.213  -4.758
  234   2HD2  LEU  30          2HD2      LEU  30  40.064  -2.654  -6.423
  235   3HD2  LEU  30          3HD2      LEU  30  40.026  -4.382  -6.074
  236    H    SER  31           H        SER  31  44.834  -0.720  -6.481
  237    HA   SER  31           HA       SER  31  44.970  -2.458  -8.560
  238   1HB   SER  31          1HB       SER  31  46.314  -0.159  -7.926
  239   2HB   SER  31          2HB       SER  31  47.625  -1.332  -8.001
  240    HG   SER  31           HG       SER  31  47.310  -1.551 -10.082
  241    HA   PRO  32           HA       PRO  32  48.584  -4.967  -6.580
  242   1HB   PRO  32          1HB       PRO  32  49.501  -4.150  -4.142
  243   2HB   PRO  32          2HB       PRO  32  50.081  -3.482  -5.676
  244   1HG   PRO  32          1HG       PRO  32  48.424  -2.226  -3.625
  245   2HG   PRO  32          2HG       PRO  32  49.307  -1.480  -4.966
  246   1HD   PRO  32          1HD       PRO  32  46.487  -2.096  -4.792
  247   2HD   PRO  32          2HD       PRO  32  47.339  -1.235  -6.083
  248    H    ALA  33           H        ALA  33  46.211  -3.844  -4.192
  249    HA   ALA  33           HA       ALA  33  46.323  -6.037  -2.388
  250   1HB   ALA  33          1HB       ALA  33  44.599  -3.811  -2.898
  251   2HB   ALA  33          2HB       ALA  33  43.613  -5.253  -2.671
  252   3HB   ALA  33          3HB       ALA  33  44.757  -4.760  -1.422
  253    H    ILE  34           H        ILE  34  45.263  -5.941  -5.626
  254    HA   ILE  34           HA       ILE  34  43.170  -7.657  -5.940
  255    HB   ILE  34           HB       ILE  34  44.579  -6.770  -7.792
  256   1HG1  ILE  34          1HG1      ILE  34  42.896  -8.705  -7.998
  257   2HG1  ILE  34          2HG1      ILE  34  44.078  -8.540  -9.294
  258   1HG2  ILE  34          1HG2      ILE  34  46.754  -7.506  -6.715
  259   2HG2  ILE  34          2HG2      ILE  34  46.375  -9.145  -7.241
  260   3HG2  ILE  34          3HG2      ILE  34  46.613  -7.869  -8.434
  261   1HD1  ILE  34          1HD1      ILE  34  45.287 -10.180  -7.319
  262   2HD1  ILE  34          2HD1      ILE  34  43.642 -10.777  -7.530
  263   3HD1  ILE  34          3HD1      ILE  34  44.725 -10.662  -8.916
  264    H    THR  35           H        THR  35  46.482  -8.801  -5.230
  265    HA   THR  35           HA       THR  35  45.463 -11.537  -4.837
  266    HB   THR  35           HB       THR  35  47.615 -11.126  -6.055
  267    HG1  THR  35           HG1      THR  35  47.300 -12.714  -3.815
  268   1HG2  THR  35          1HG2      THR  35  48.527 -10.213  -3.313
  269   2HG2  THR  35          2HG2      THR  35  49.590 -10.500  -4.691
  270   3HG2  THR  35          3HG2      THR  35  48.394  -9.206  -4.753
  271    H    PHE  36           H        PHE  36  44.471  -9.683  -3.015
  272    HA   PHE  36           HA       PHE  36  46.054  -9.778  -0.564
  273   1HB   PHE  36          1HB       PHE  36  44.317  -8.509   0.440
  274   2HB   PHE  36          2HB       PHE  36  44.392  -7.930  -1.221
  275    HD1  PHE  36           HD1      PHE  36  42.692  -8.667  -2.890
  276    HD2  PHE  36           HD2      PHE  36  42.415  -9.738   1.261
  277    HE1  PHE  36           HE1      PHE  36  40.316  -9.298  -3.212
  278    HE2  PHE  36           HE2      PHE  36  40.038 -10.368   0.939
  279    HZ   PHE  36           HZ       PHE  36  38.989 -10.148  -1.297
  280    H    GLY  37           H        GLY  37  45.324 -10.873   1.405
  281   1HA   GLY  37          1HA       GLY  37  43.345 -13.042   1.041
  282   2HA   GLY  37          2HA       GLY  37  44.998 -13.534   1.414
  283    H    GLY  38           H        GLY  38  42.648 -11.104   2.619
  284   1HA   GLY  38          1HA       GLY  38  41.795 -11.526   4.963
  285   2HA   GLY  38          2HA       GLY  38  43.462 -11.918   5.382
  286    H    LEU  39           H        LEU  39  41.300  -9.290   4.438
  287    HA   LEU  39           HA       LEU  39  43.005  -7.106   4.320
  288   1HB   LEU  39          1HB       LEU  39  40.209  -7.534   5.120
  289   2HB   LEU  39          2HB       LEU  39  40.943  -6.116   5.870
  290    HG   LEU  39           HG       LEU  39  41.526  -6.468   2.988
  291   1HD1  LEU  39          1HD1      LEU  39  39.013  -7.092   3.470
  292   2HD1  LEU  39          2HD1      LEU  39  38.831  -5.355   3.712
  293   3HD1  LEU  39          3HD1      LEU  39  39.398  -5.974   2.162
  294   1HD2  LEU  39          1HD2      LEU  39  41.681  -4.463   4.936
  295   2HD2  LEU  39          2HD2      LEU  39  41.948  -4.259   3.205
  296   3HD2  LEU  39          3HD2      LEU  39  40.351  -3.960   3.892
  297    H    LEU  40           H        LEU  40  43.404  -5.439   6.110
  298    HA   LEU  40           HA       LEU  40  44.614  -6.851   8.394
  299   1HB   LEU  40          1HB       LEU  40  44.777  -4.085   7.246
  300   2HB   LEU  40          2HB       LEU  40  45.235  -4.330   8.933
  301    HG   LEU  40           HG       LEU  40  47.128  -4.555   7.238
  302   1HD1  LEU  40          1HD1      LEU  40  46.428  -6.179   9.511
  303   2HD1  LEU  40          2HD1      LEU  40  47.332  -7.154   8.353
  304   3HD1  LEU  40          3HD1      LEU  40  48.028  -5.660   8.981
  305   1HD2  LEU  40          1HD2      LEU  40  45.571  -5.865   5.642
  306   2HD2  LEU  40          2HD2      LEU  40  47.219  -6.465   5.831
  307   3HD2  LEU  40          3HD2      LEU  40  45.890  -7.254   6.681
  308    H    GLY  41           H        GLY  41  42.437  -4.017   8.045
  309   1HA   GLY  41          1HA       GLY  41  40.318  -3.926   9.290
  310   2HA   GLY  41          2HA       GLY  41  41.063  -4.934  10.532
  311    H    GLU  42           H        GLU  42  43.559  -3.094   9.990
  312    HA   GLU  42           HA       GLU  42  43.018  -1.318  12.228
  313   1HB   GLU  42          1HB       GLU  42  45.280  -2.399  11.497
  314   2HB   GLU  42          2HB       GLU  42  45.379  -1.032  10.385
  315   1HG   GLU  42          1HG       GLU  42  46.277   0.100  12.130
  316   2HG   GLU  42          2HG       GLU  42  44.627   0.176  12.750
  317    H    LYS  43           H        LYS  43  43.781  -0.747   8.773
  318    HA   LYS  43           HA       LYS  43  42.920   2.059   9.047
  319   1HB   LYS  43          1HB       LYS  43  44.144   0.412   6.842
  320   2HB   LYS  43          2HB       LYS  43  43.413   1.977   6.483
  321   1HG   LYS  43          1HG       LYS  43  45.268   1.880   8.807
  322   2HG   LYS  43          2HG       LYS  43  45.996   1.720   7.207
  323   1HD   LYS  43          1HD       LYS  43  45.224   3.828   6.506
  324   2HD   LYS  43          2HD       LYS  43  43.990   3.898   7.765
  325   1HE   LYS  43          1HE       LYS  43  45.467   4.608   9.367
  326   2HE   LYS  43          2HE       LYS  43  46.807   3.683   8.690
  327   1HZ   LYS  43          1HZ       LYS  43  46.044   5.626   6.827
  328   2HZ   LYS  43          2HZ       LYS  43  46.218   6.395   8.329
  329   3HZ   LYS  43          3HZ       LYS  43  47.509   5.503   7.677
  Start of MODEL   15
    1   1H    ACE   1           HA1      ACE   1  32.930   9.165  15.402
    2   2H    ACE   1           HA2      ACE   1  33.714   7.976  14.362
    3   3H    ACE   1           HA3      ACE   1  33.851   7.841  16.116
    4    H    ARG   2           H        ARG   2  32.905   5.678  14.626
    5    HA   ARG   2           HA       ARG   2  31.126   4.144  14.610
    6   1HB   ARG   2          1HB       ARG   2  30.347   6.025  16.828
    7   2HB   ARG   2          2HB       ARG   2  29.237   4.755  16.314
    8   1HG   ARG   2          1HG       ARG   2  30.464   3.695  18.005
    9   2HG   ARG   2          2HG       ARG   2  31.319   3.191  16.547
   10   1HD   ARG   2          1HD       ARG   2  33.202   4.230  17.215
   11   2HD   ARG   2          2HD       ARG   2  32.329   5.739  17.483
   12    HE   ARG   2           HE       ARG   2  31.800   3.891  19.627
   13   1HH1  ARG   2          1HH1      ARG   2  33.289   6.766  18.795
   14   2HH1  ARG   2          2HH1      ARG   2  34.460   6.742  20.071
   15   1HH2  ARG   2          1HH2      ARG   2  33.696   3.511  21.072
   16   2HH2  ARG   2          2HH2      ARG   2  34.686   4.902  21.365
   17    H    TYR   3           H        TYR   3  31.085   6.933  13.156
   18    HA   TYR   3           HA       TYR   3  28.193   7.174  12.658
   19   1HB   TYR   3          1HB       TYR   3  28.827   9.161  11.323
   20   2HB   TYR   3          2HB       TYR   3  29.458   9.232  12.968
   21    HD1  TYR   3           HD1      TYR   3  30.389   8.219   9.487
   22    HD2  TYR   3           HD2      TYR   3  31.763   9.494  13.352
   23    HE1  TYR   3           HE1      TYR   3  32.696   8.427   8.599
   24    HE2  TYR   3           HE2      TYR   3  34.069   9.701  12.463
   25    HH   TYR   3           HH       TYR   3  35.213   9.977  10.366
   26    HA   PRO   4           HA       PRO   4  29.951   5.787   8.341
   27   1HB   PRO   4          1HB       PRO   4  32.094   4.106   8.413
   28   2HB   PRO   4          2HB       PRO   4  32.238   5.866   8.273
   29   1HG   PRO   4          1HG       PRO   4  32.775   4.117  10.587
   30   2HG   PRO   4          2HG       PRO   4  33.445   5.707  10.191
   31   1HD   PRO   4          1HD       PRO   4  31.415   5.164  12.074
   32   2HD   PRO   4          2HD       PRO   4  31.909   6.755  11.478
   33    H    TYR   5           H        TYR   5  30.542   3.356  10.919
   34    HA   TYR   5           HA       TYR   5  29.238   1.302   9.259
   35   1HB   TYR   5          1HB       TYR   5  30.799   1.316  11.809
   36   2HB   TYR   5          2HB       TYR   5  29.697  -0.029  11.512
   37    HD1  TYR   5           HD1      TYR   5  29.808  -0.530   8.695
   38    HD2  TYR   5           HD2      TYR   5  32.988   0.659  11.325
   39    HE1  TYR   5           HE1      TYR   5  31.462  -1.546   7.153
   40    HE2  TYR   5           HE2      TYR   5  34.644  -0.358   9.783
   41    HH   TYR   5           HH       TYR   5  34.957  -1.336   7.806
   42    H    TYR   6           H        TYR   6  28.537   3.208  12.154
   43    HA   TYR   6           HA       TYR   6  26.066   1.674  12.635
   44   1HB   TYR   6          1HB       TYR   6  27.764   2.940  14.329
   45   2HB   TYR   6          2HB       TYR   6  26.535   4.188  14.123
   46    HD1  TYR   6           HD1      TYR   6  26.342   0.444  14.193
   47    HD2  TYR   6           HD2      TYR   6  25.093   4.154  15.961
   48    HE1  TYR   6           HE1      TYR   6  24.818  -0.792  15.710
   49    HE2  TYR   6           HE2      TYR   6  23.570   2.918  17.479
   50    HH   TYR   6           HH       TYR   6  22.583  -0.140  16.996
   51    H    LEU   7           H        LEU   7  26.799   5.148  12.047
   52    HA   LEU   7           HA       LEU   7  24.074   5.890  11.659
   53   1HB   LEU   7          1HB       LEU   7  26.641   7.152  11.484
   54   2HB   LEU   7          2HB       LEU   7  25.705   7.573  10.049
   55    HG   LEU   7           HG       LEU   7  23.958   7.682  12.310
   56   1HD1  LEU   7          1HD1      LEU   7  26.017   7.951  13.658
   57   2HD1  LEU   7          2HD1      LEU   7  26.514   9.288  12.621
   58   3HD1  LEU   7          3HD1      LEU   7  25.074   9.441  13.627
   59   1HD2  LEU   7          1HD2      LEU   7  25.095   9.564  10.266
   60   2HD2  LEU   7          2HD2      LEU   7  23.423   9.062  10.511
   61   3HD2  LEU   7          3HD2      LEU   7  24.163  10.222  11.611
   62    H    SER   8           H        SER   8  26.568   4.991   9.266
   63    HA   SER   8           HA       SER   8  25.251   5.448   6.879
   64   1HB   SER   8          1HB       SER   8  27.500   4.440   7.031
   65   2HB   SER   8          2HB       SER   8  26.787   2.933   7.595
   66    HG   SER   8           HG       SER   8  25.537   3.025   5.573
   67    H    ASP   9           H        ASP   9  24.332   3.135   9.323
   68    HA   ASP   9           HA       ASP   9  22.868   1.246   7.895
   69   1HB   ASP   9          1HB       ASP   9  22.859   2.281  10.598
   70   2HB   ASP   9          2HB       ASP   9  21.218   1.911  10.074
   71    H    ILE  10           H        ILE  10  21.207   4.051   9.383
   72    HA   ILE  10           HA       ILE  10  19.104   3.806   7.343
   73    HB   ILE  10           HB       ILE  10  19.240   5.898   9.513
   74   1HG1  ILE  10          1HG1      ILE  10  17.670   3.602  10.259
   75   2HG1  ILE  10          2HG1      ILE  10  19.314   3.082   9.888
   76   1HG2  ILE  10          1HG2      ILE  10  17.115   4.607   7.818
   77   2HG2  ILE  10          2HG2      ILE  10  16.692   5.302   9.383
   78   3HG2  ILE  10          3HG2      ILE  10  17.398   6.320   8.128
   79   1HD1  ILE  10          1HD1      ILE  10  19.870   5.297  11.326
   80   2HD1  ILE  10          2HD1      ILE  10  18.333   4.852  12.067
   81   3HD1  ILE  10          3HD1      ILE  10  19.675   3.708  12.065
   82    H    THR  11           H        THR  11  21.886   5.811   7.925
   83    HA   THR  11           HA       THR  11  20.885   7.931   6.137
   84    HB   THR  11           HB       THR  11  22.772   9.191   6.783
   85    HG1  THR  11           HG1      THR  11  23.911   6.735   7.625
   86   1HG2  THR  11          1HG2      THR  11  21.139   8.117   8.690
   87   2HG2  THR  11          2HG2      THR  11  22.728   7.657   9.301
   88   3HG2  THR  11          3HG2      THR  11  22.354   9.355   9.009
   89    H    ASP  12           H        ASP  12  21.329   5.200   5.098
   90    HA   ASP  12           HA       ASP  12  23.777   5.198   3.547
   91   1HB   ASP  12          1HB       ASP  12  22.204   3.207   4.202
   92   2HB   ASP  12          2HB       ASP  12  21.318   3.662   2.746
   93    H    ALA  13           H        ALA  13  20.402   6.090   2.834
   94    HA   ALA  13           HA       ALA  13  20.731   6.572   0.048
   95   1HB   ALA  13          1HB       ALA  13  18.731   7.072   2.066
   96   2HB   ALA  13          2HB       ALA  13  18.907   8.494   1.040
   97   3HB   ALA  13          3HB       ALA  13  18.525   6.929   0.320
   98    H    PHE  14           H        PHE  14  21.768   8.383   2.821
   99    HA   PHE  14           HA       PHE  14  21.946  11.000   1.916
  100   1HB   PHE  14          1HB       PHE  14  22.746  10.677   4.088
  101   2HB   PHE  14          2HB       PHE  14  23.749   9.307   3.621
  102    HD1  PHE  14           HD1      PHE  14  23.432  12.855   2.405
  103    HD2  PHE  14           HD2      PHE  14  26.006   9.761   3.906
  104    HE1  PHE  14           HE1      PHE  14  25.389  14.360   2.156
  105    HE2  PHE  14           HE2      PHE  14  27.961  11.265   3.657
  106    HZ   PHE  14           HZ       PHE  14  27.653  13.565   2.783
  107    H    SER  15           H        SER  15  24.073   8.295   1.046
  108    HA   SER  15           HA       SER  15  25.054   9.969  -1.209
  109   1HB   SER  15          1HB       SER  15  26.601   9.010   0.993
  110   2HB   SER  15          2HB       SER  15  27.110   8.141  -0.452
  111    HG   SER  15           HG       SER  15  27.067  10.920   0.054
  112    HA   PRO  16           HA       PRO  16  23.620   5.961  -2.934
  113   1HB   PRO  16          1HB       PRO  16  21.875   7.067  -4.713
  114   2HB   PRO  16          2HB       PRO  16  21.434   6.693  -3.038
  115   1HG   PRO  16          1HG       PRO  16  21.827   9.299  -4.310
  116   2HG   PRO  16          2HG       PRO  16  21.022   8.902  -2.784
  117   1HD   PRO  16          1HD       PRO  16  23.689   9.944  -3.176
  118   2HD   PRO  16          2HD       PRO  16  22.845   9.626  -1.653
  119    H    GLN  17           H        GLN  17  23.766   8.898  -4.988
  120    HA   GLN  17           HA       GLN  17  24.804   7.637  -7.291
  121   1HB   GLN  17          1HB       GLN  17  24.113  10.199  -6.682
  122   2HB   GLN  17          2HB       GLN  17  25.871  10.341  -6.706
  123   1HG   GLN  17          1HG       GLN  17  25.641   8.957  -8.947
  124   2HG   GLN  17          2HG       GLN  17  23.999   9.601  -8.929
  125   1HE2  GLN  17          2HE2      GLN  17  27.126  11.106  -7.933
  126   2HE2  GLN  17          1HE2      GLN  17  26.972  12.449  -8.960
  127    H    VAL  18           H        VAL  18  26.594   9.328  -4.716
  128    HA   VAL  18           HA       VAL  18  29.208   8.731  -5.617
  129    HB   VAL  18           HB       VAL  18  27.973   9.377  -2.974
  130   1HG1  VAL  18          1HG1      VAL  18  30.691   8.146  -3.366
  131   2HG1  VAL  18          2HG1      VAL  18  30.429   9.329  -2.084
  132   3HG1  VAL  18          3HG1      VAL  18  29.504   7.827  -2.101
  133   1HG2  VAL  18          1HG2      VAL  18  28.598  11.142  -4.579
  134   2HG2  VAL  18          2HG2      VAL  18  29.571  11.249  -3.112
  135   3HG2  VAL  18          3HG2      VAL  18  30.260  10.552  -4.578
  136    H    LEU  19           H        LEU  19  26.970   6.775  -3.640
  137    HA   LEU  19           HA       LEU  19  28.669   4.710  -2.832
  138   1HB   LEU  19          1HB       LEU  19  26.118   4.941  -2.495
  139   2HB   LEU  19          2HB       LEU  19  25.965   4.146  -4.064
  140    HG   LEU  19           HG       LEU  19  25.873   2.551  -2.132
  141   1HD1  LEU  19          1HD1      LEU  19  26.916   2.142  -4.533
  142   2HD1  LEU  19          2HD1      LEU  19  28.413   1.979  -3.616
  143   3HD1  LEU  19          3HD1      LEU  19  27.051   0.910  -3.279
  144   1HD2  LEU  19          1HD2      LEU  19  27.725   4.027  -0.943
  145   2HD2  LEU  19          2HD2      LEU  19  27.652   2.288  -0.656
  146   3HD2  LEU  19          3HD2      LEU  19  28.827   2.945  -1.796
  147    H    ALA  20           H        ALA  20  27.020   5.011  -5.977
  148    HA   ALA  20           HA       ALA  20  28.083   2.674  -7.188
  149   1HB   ALA  20          1HB       ALA  20  27.163   5.337  -8.255
  150   2HB   ALA  20          2HB       ALA  20  27.820   4.112  -9.340
  151   3HB   ALA  20          3HB       ALA  20  26.374   3.766  -8.391
  152    H    ALA  21           H        ALA  21  29.267   6.016  -7.296
  153    HA   ALA  21           HA       ALA  21  31.567   5.726  -8.839
  154   1HB   ALA  21          1HB       ALA  21  31.024   7.417  -6.387
  155   2HB   ALA  21          2HB       ALA  21  32.507   7.574  -7.330
  156   3HB   ALA  21          3HB       ALA  21  30.945   7.910  -8.078
  157    H    VAL  22           H        VAL  22  31.431   5.454  -5.308
  158    HA   VAL  22           HA       VAL  22  34.057   4.665  -4.801
  159    HB   VAL  22           HB       VAL  22  31.465   3.897  -3.434
  160   1HG1  VAL  22          1HG1      VAL  22  34.084   2.721  -3.131
  161   2HG1  VAL  22          2HG1      VAL  22  33.667   3.615  -1.670
  162   3HG1  VAL  22          3HG1      VAL  22  32.598   2.342  -2.260
  163   1HG2  VAL  22          1HG2      VAL  22  32.995   6.251  -3.517
  164   2HG2  VAL  22          2HG2      VAL  22  31.718   5.867  -2.363
  165   3HG2  VAL  22          3HG2      VAL  22  33.399   5.503  -1.972
  166    H    ILE  23           H        ILE  23  31.334   2.652  -5.879
  167    HA   ILE  23           HA       ILE  23  32.854   0.176  -5.646
  168    HB   ILE  23           HB       ILE  23  30.409   0.579  -7.361
  169   1HG1  ILE  23          1HG1      ILE  23  30.641   1.235  -4.597
  170   2HG1  ILE  23          2HG1      ILE  23  29.174   1.160  -5.563
  171   1HG2  ILE  23          1HG2      ILE  23  31.476  -1.743  -5.723
  172   2HG2  ILE  23          2HG2      ILE  23  29.975  -1.765  -6.649
  173   3HG2  ILE  23          3HG2      ILE  23  31.522  -1.600  -7.480
  174   1HD1  ILE  23          1HD1      ILE  23  29.144  -1.349  -5.095
  175   2HD1  ILE  23          2HD1      ILE  23  30.414  -1.051  -3.909
  176   3HD1  ILE  23          3HD1      ILE  23  28.827  -0.309  -3.706
  177    H    PHE  24           H        PHE  24  32.396   2.589  -8.137
  178    HA   PHE  24           HA       PHE  24  33.219   0.970 -10.373
  179   1HB   PHE  24          1HB       PHE  24  32.284   3.543 -10.075
  180   2HB   PHE  24          2HB       PHE  24  33.986   3.827 -10.432
  181    HD1  PHE  24           HD1      PHE  24  30.962   1.991 -11.638
  182    HD2  PHE  24           HD2      PHE  24  34.814   3.613 -12.633
  183    HE1  PHE  24           HE1      PHE  24  30.542   1.521 -14.038
  184    HE2  PHE  24           HE2      PHE  24  34.393   3.143 -15.031
  185    HZ   PHE  24           HZ       PHE  24  32.258   2.097 -15.733
  186    H    ILE  25           H        ILE  25  34.947   2.836  -7.929
  187    HA   ILE  25           HA       ILE  25  37.551   2.385  -9.207
  188    HB   ILE  25           HB       ILE  25  37.171   3.233  -6.336
  189   1HG1  ILE  25          1HG1      ILE  25  35.550   4.562  -7.606
  190   2HG1  ILE  25          2HG1      ILE  25  36.927   5.574  -7.169
  191   1HG2  ILE  25          1HG2      ILE  25  39.349   2.989  -8.096
  192   2HG2  ILE  25          2HG2      ILE  25  39.032   4.720  -7.992
  193   3HG2  ILE  25          3HG2      ILE  25  39.347   3.793  -6.526
  194   1HD1  ILE  25          1HD1      ILE  25  37.713   4.479  -9.586
  195   2HD1  ILE  25          2HD1      ILE  25  35.987   4.754  -9.822
  196   3HD1  ILE  25          3HD1      ILE  25  37.040   6.094  -9.368
  197    H    TYR  26           H        TYR  26  35.542   0.906  -6.701
  198    HA   TYR  26           HA       TYR  26  37.618  -0.812  -5.642
  199   1HB   TYR  26          1HB       TYR  26  34.618  -0.759  -5.559
  200   2HB   TYR  26          2HB       TYR  26  35.437  -2.259  -5.125
  201    HD1  TYR  26           HD1      TYR  26  37.786  -1.570  -3.708
  202    HD2  TYR  26           HD2      TYR  26  33.994   0.446  -3.668
  203    HE1  TYR  26           HE1      TYR  26  38.301  -0.646  -1.465
  204    HE2  TYR  26           HE2      TYR  26  34.508   1.370  -1.425
  205    HH   TYR  26           HH       TYR  26  37.668   0.856   0.095
  206    H    PHE  27           H        PHE  27  35.519  -0.834  -8.402
  207    HA   PHE  27           HA       PHE  27  35.918  -3.618  -9.136
  208   1HB   PHE  27          1HB       PHE  27  34.075  -1.848  -9.876
  209   2HB   PHE  27          2HB       PHE  27  35.257  -1.472 -11.131
  210    HD1  PHE  27           HD1      PHE  27  34.034  -4.610  -9.458
  211    HD2  PHE  27           HD2      PHE  27  34.837  -2.560 -13.147
  212    HE1  PHE  27           HE1      PHE  27  33.333  -6.621 -10.728
  213    HE2  PHE  27           HE2      PHE  27  34.138  -4.573 -14.417
  214    HZ   PHE  27           HZ       PHE  27  33.386  -6.603 -13.208
  215    H    ALA  28           H        ALA  28  37.365  -0.519  -9.894
  216    HA   ALA  28           HA       ALA  28  39.106  -1.374 -11.998
  217   1HB   ALA  28          1HB       ALA  28  38.478   1.011 -11.333
  218   2HB   ALA  28          2HB       ALA  28  39.655   0.858 -10.029
  219   3HB   ALA  28          3HB       ALA  28  40.181   0.746 -11.708
  220    H    ALA  29           H        ALA  29  39.936  -0.657  -8.586
  221    HA   ALA  29           HA       ALA  29  42.465  -2.125  -8.878
  222   1HB   ALA  29          1HB       ALA  29  41.391  -0.077  -7.140
  223   2HB   ALA  29          2HB       ALA  29  42.116  -1.378  -6.196
  224   3HB   ALA  29          3HB       ALA  29  43.073  -0.533  -7.414
  225    H    LEU  30           H        LEU  30  39.684  -2.286  -6.636
  226    HA   LEU  30           HA       LEU  30  40.548  -4.832  -5.535
  227   1HB   LEU  30          1HB       LEU  30  39.107  -3.016  -4.403
  228   2HB   LEU  30          2HB       LEU  30  37.761  -3.706  -5.306
  229    HG   LEU  30           HG       LEU  30  38.859  -5.967  -4.297
  230   1HD1  LEU  30          1HD1      LEU  30  40.546  -4.624  -3.033
  231   2HD1  LEU  30          2HD1      LEU  30  39.226  -3.838  -2.167
  232   3HD1  LEU  30          3HD1      LEU  30  39.500  -5.570  -1.973
  233   1HD2  LEU  30          1HD2      LEU  30  36.489  -4.741  -4.126
  234   2HD2  LEU  30          2HD2      LEU  30  36.905  -6.092  -3.071
  235   3HD2  LEU  30          3HD2      LEU  30  37.046  -4.436  -2.480
  236    H    SER  31           H        SER  31  39.711  -4.500  -8.557
  237    HA   SER  31           HA       SER  31  37.407  -6.048  -9.037
  238   1HB   SER  31          1HB       SER  31  39.281  -6.702 -11.056
  239   2HB   SER  31          2HB       SER  31  37.981  -5.520 -11.136
  240    HG   SER  31           HG       SER  31  39.997  -4.546 -11.513
  241    HA   PRO  32           HA       PRO  32  40.252  -9.940  -8.869
  242   1HB   PRO  32          1HB       PRO  32  42.887  -9.555  -8.283
  243   2HB   PRO  32          2HB       PRO  32  42.227  -9.435  -9.922
  244   1HG   PRO  32          1HG       PRO  32  43.235  -7.316  -8.179
  245   2HG   PRO  32          2HG       PRO  32  42.924  -7.282  -9.921
  246   1HD   PRO  32          1HD       PRO  32  41.267  -6.249  -7.782
  247   2HD   PRO  32          2HD       PRO  32  41.017  -6.109  -9.528
  248    H    ALA  33           H        ALA  33  40.986  -7.489  -6.420
  249    HA   ALA  33           HA       ALA  33  41.973  -8.976  -4.311
  250   1HB   ALA  33          1HB       ALA  33  40.716  -6.485  -4.568
  251   2HB   ALA  33          2HB       ALA  33  39.758  -7.349  -3.365
  252   3HB   ALA  33          3HB       ALA  33  41.490  -7.126  -3.119
  253    H    ILE  34           H        ILE  34  38.688  -9.031  -5.589
  254    HA   ILE  34           HA       ILE  34  37.555 -10.601  -3.448
  255    HB   ILE  34           HB       ILE  34  36.731 -10.142  -6.325
  256   1HG1  ILE  34          1HG1      ILE  34  34.808  -9.175  -4.554
  257   2HG1  ILE  34          2HG1      ILE  34  36.339  -8.788  -3.766
  258   1HG2  ILE  34          1HG2      ILE  34  35.415 -11.760  -4.135
  259   2HG2  ILE  34          2HG2      ILE  34  34.516 -11.121  -5.511
  260   3HG2  ILE  34          3HG2      ILE  34  35.820 -12.280  -5.771
  261   1HD1  ILE  34          1HD1      ILE  34  36.679  -8.206  -6.519
  262   2HD1  ILE  34          2HD1      ILE  34  35.125  -7.516  -6.045
  263   3HD1  ILE  34          3HD1      ILE  34  36.593  -7.060  -5.181
  264    H    THR  35           H        THR  35  38.847 -11.444  -6.670
  265    HA   THR  35           HA       THR  35  38.411 -14.265  -6.407
  266    HB   THR  35           HB       THR  35  40.759 -13.339  -7.979
  267    HG1  THR  35           HG1      THR  35  38.267 -12.777  -9.064
  268   1HG2  THR  35          1HG2      THR  35  39.087 -15.555  -7.915
  269   2HG2  THR  35          2HG2      THR  35  38.533 -14.662  -9.332
  270   3HG2  THR  35          3HG2      THR  35  40.221 -15.155  -9.205
  271    H    PHE  36           H        PHE  36  40.650 -12.162  -4.900
  272    HA   PHE  36           HA       PHE  36  42.734 -14.165  -4.493
  273   1HB   PHE  36          1HB       PHE  36  42.244 -11.354  -3.614
  274   2HB   PHE  36          2HB       PHE  36  43.336 -12.337  -2.637
  275    HD1  PHE  36           HD1      PHE  36  42.655 -12.041  -6.321
  276    HD2  PHE  36           HD2      PHE  36  45.567 -11.940  -3.164
  277    HE1  PHE  36           HE1      PHE  36  44.456 -11.703  -7.993
  278    HE2  PHE  36           HE2      PHE  36  47.368 -11.603  -4.837
  279    HZ   PHE  36           HZ       PHE  36  46.812 -11.483  -7.252
  280    H    GLY  37           H        GLY  37  41.643 -12.415  -1.683
  281   1HA   GLY  37          1HA       GLY  37  39.823 -13.731  -0.297
  282   2HA   GLY  37          2HA       GLY  37  41.027 -15.018  -0.388
  283    H    GLY  38           H        GLY  38  41.267 -11.491   0.190
  284   1HA   GLY  38          1HA       GLY  38  42.158 -11.905   2.936
  285   2HA   GLY  38          2HA       GLY  38  43.464 -11.435   1.847
  286    H    LEU  39           H        LEU  39  40.137 -10.438   2.696
  287    HA   LEU  39           HA       LEU  39  40.596  -7.718   1.754
  288   1HB   LEU  39          1HB       LEU  39  38.379  -7.317   3.010
  289   2HB   LEU  39          2HB       LEU  39  38.339  -8.425   1.640
  290    HG   LEU  39           HG       LEU  39  39.043  -9.823   4.088
  291   1HD1  LEU  39          1HD1      LEU  39  36.549  -8.120   4.046
  292   2HD1  LEU  39          2HD1      LEU  39  36.625  -9.614   4.980
  293   3HD1  LEU  39          3HD1      LEU  39  37.737  -8.293   5.338
  294   1HD2  LEU  39          1HD2      LEU  39  37.487 -10.134   1.676
  295   2HD2  LEU  39          2HD2      LEU  39  38.088 -11.381   2.769
  296   3HD2  LEU  39          3HD2      LEU  39  36.524 -10.624   3.070
  297    H    LEU  40           H        LEU  40  41.808  -9.286   4.377
  298    HA   LEU  40           HA       LEU  40  41.358  -7.221   6.395
  299   1HB   LEU  40          1HB       LEU  40  42.352  -9.874   6.370
  300   2HB   LEU  40          2HB       LEU  40  43.665  -8.853   6.958
  301    HG   LEU  40           HG       LEU  40  40.974  -8.245   8.043
  302   1HD1  LEU  40          1HD1      LEU  40  42.186 -10.921   8.192
  303   2HD1  LEU  40          2HD1      LEU  40  41.814 -10.223   9.769
  304   3HD1  LEU  40          3HD1      LEU  40  40.540 -10.411   8.564
  305   1HD2  LEU  40          1HD2      LEU  40  43.598  -7.559   8.596
  306   2HD2  LEU  40          2HD2      LEU  40  42.234  -7.315   9.687
  307   3HD2  LEU  40          3HD2      LEU  40  43.241  -8.755   9.842
  308    H    GLY  41           H        GLY  41  44.451  -8.404   5.022
  309   1HA   GLY  41          1HA       GLY  41  45.336  -5.544   4.947
  310   2HA   GLY  41          2HA       GLY  41  46.413  -6.856   5.430
  311    H    GLU  42           H        GLU  42  45.022  -5.168   2.743
  312    HA   GLU  42           HA       GLU  42  45.848  -7.143   0.751
  313   1HB   GLU  42          1HB       GLU  42  43.928  -5.546   0.415
  314   2HB   GLU  42          2HB       GLU  42  45.105  -4.235   0.328
  315   1HG   GLU  42          1HG       GLU  42  45.771  -6.510  -1.405
  316   2HG   GLU  42          2HG       GLU  42  44.244  -5.735  -1.826
  317    H    LYS  43           H        LYS  43  46.882  -3.782   1.432
  318    HA   LYS  43           HA       LYS  43  49.140  -3.644  -0.171
  319   1HB   LYS  43          1HB       LYS  43  50.118  -2.283   1.864
  320   2HB   LYS  43          2HB       LYS  43  48.698  -1.676   1.011
  321   1HG   LYS  43          1HG       LYS  43  47.218  -2.431   2.696
  322   2HG   LYS  43          2HG       LYS  43  48.430  -3.504   3.396
  323   1HD   LYS  43          1HD       LYS  43  48.246  -1.572   4.835
  324   2HD   LYS  43          2HD       LYS  43  49.785  -1.460   3.981
  325   1HE   LYS  43          1HE       LYS  43  47.355  -0.179   2.775
  326   2HE   LYS  43          2HE       LYS  43  48.191   0.639   4.096
  327   1HZ   LYS  43          1HZ       LYS  43  50.031  -0.365   2.181
  328   2HZ   LYS  43          2HZ       LYS  43  48.894   0.655   1.439
  329   3HZ   LYS  43          3HZ       LYS  43  49.826   1.223   2.742
  Start of MODEL   16
    1   1H    ACE   1           HA1      ACE   1  32.554  -4.375 -12.245
    2   2H    ACE   1           HA2      ACE   1  33.101  -2.720 -12.511
    3   3H    ACE   1           HA3      ACE   1  32.349  -3.623 -13.827
    4    H    ARG   2           H        ARG   2  31.661  -1.079 -12.107
    5    HA   ARG   2           HA       ARG   2  29.660  -0.022 -11.481
    6   1HB   ARG   2          1HB       ARG   2  28.893  -1.073 -13.660
    7   2HB   ARG   2          2HB       ARG   2  28.279  -2.424 -12.706
    8   1HG   ARG   2          1HG       ARG   2  26.512  -1.227 -11.919
    9   2HG   ARG   2          2HG       ARG   2  27.473   0.236 -11.714
   10   1HD   ARG   2          1HD       ARG   2  27.355  -0.167 -14.490
   11   2HD   ARG   2          2HD       ARG   2  25.725  -0.510 -13.909
   12    HE   ARG   2           HE       ARG   2  27.044   2.003 -13.017
   13   1HH1  ARG   2          1HH1      ARG   2  25.080   0.561 -15.406
   14   2HH1  ARG   2          2HH1      ARG   2  23.916   1.843 -15.436
   15   1HH2  ARG   2          1HH2      ARG   2  25.352   3.567 -12.791
   16   2HH2  ARG   2          2HH2      ARG   2  24.069   3.544 -13.954
   17    H    TYR   3           H        TYR   3  29.033   0.017  -9.383
   18    HA   TYR   3           HA       TYR   3  27.816  -2.341  -8.143
   19   1HB   TYR   3          1HB       TYR   3  29.518  -2.138  -6.189
   20   2HB   TYR   3          2HB       TYR   3  30.033  -2.991  -7.646
   21    HD1  TYR   3           HD1      TYR   3  31.325  -1.700  -9.424
   22    HD2  TYR   3           HD2      TYR   3  30.644  -0.177  -5.467
   23    HE1  TYR   3           HE1      TYR   3  33.166  -0.069  -9.737
   24    HE2  TYR   3           HE2      TYR   3  32.485   1.457  -5.779
   25    HH   TYR   3           HH       TYR   3  34.213   2.047  -7.089
   26    HA   PRO   4           HA       PRO   4  26.437   1.799  -6.490
   27   1HB   PRO   4          1HB       PRO   4  24.125   2.018  -7.915
   28   2HB   PRO   4          2HB       PRO   4  25.683   2.622  -8.503
   29   1HG   PRO   4          1HG       PRO   4  24.106   0.359  -9.459
   30   2HG   PRO   4          2HG       PRO   4  25.473   1.178 -10.229
   31   1HD   PRO   4          1HD       PRO   4  25.467  -1.319  -8.744
   32   2HD   PRO   4          2HD       PRO   4  26.789  -0.582  -9.667
   33    H    TYR   5           H        TYR   5  23.770  -0.291  -7.601
   34    HA   TYR   5           HA       TYR   5  22.088  -0.102  -5.431
   35   1HB   TYR   5          1HB       TYR   5  22.449  -1.935  -7.593
   36   2HB   TYR   5          2HB       TYR   5  22.156  -2.873  -6.128
   37    HD1  TYR   5           HD1      TYR   5  20.492  -0.809  -4.643
   38    HD2  TYR   5           HD2      TYR   5  20.343  -2.226  -8.694
   39    HE1  TYR   5           HE1      TYR   5  18.081  -0.238  -4.754
   40    HE2  TYR   5           HE2      TYR   5  17.932  -1.657  -8.806
   41    HH   TYR   5           HH       TYR   5  16.061  -1.056  -6.139
   42    H    TYR   6           H        TYR   6  25.135  -1.831  -5.550
   43    HA   TYR   6           HA       TYR   6  24.815  -3.547  -3.326
   44   1HB   TYR   6          1HB       TYR   6  26.820  -3.185  -5.028
   45   2HB   TYR   6          2HB       TYR   6  27.437  -2.164  -3.729
   46    HD1  TYR   6           HD1      TYR   6  25.456  -5.346  -3.688
   47    HD2  TYR   6           HD2      TYR   6  29.090  -3.346  -2.576
   48    HE1  TYR   6           HE1      TYR   6  26.182  -7.361  -2.439
   49    HE2  TYR   6           HE2      TYR   6  29.817  -5.361  -1.326
   50    HH   TYR   6           HH       TYR   6  27.661  -8.043  -0.763
   51    H    LEU   7           H        LEU   7  26.089  -0.192  -3.350
   52    HA   LEU   7           HA       LEU   7  26.028  -0.178  -0.405
   53   1HB   LEU   7          1HB       LEU   7  27.738   0.976  -2.137
   54   2HB   LEU   7          2HB       LEU   7  26.607   2.312  -1.911
   55    HG   LEU   7           HG       LEU   7  27.052   1.210   0.656
   56   1HD1  LEU   7          1HD1      LEU   7  29.322   0.806  -1.063
   57   2HD1  LEU   7          2HD1      LEU   7  29.724   2.020   0.152
   58   3HD1  LEU   7          3HD1      LEU   7  29.158   0.426   0.651
   59   1HD2  LEU   7          1HD2      LEU   7  27.132   3.711  -0.719
   60   2HD2  LEU   7          2HD2      LEU   7  27.036   3.431   1.020
   61   3HD2  LEU   7          3HD2      LEU   7  28.609   3.579   0.236
   62    H    SER   8           H        SER   8  24.427   1.515  -3.092
   63    HA   SER   8           HA       SER   8  22.787   3.122  -1.308
   64   1HB   SER   8          1HB       SER   8  22.405   2.604  -4.264
   65   2HB   SER   8          2HB       SER   8  21.708   3.924  -3.328
   66    HG   SER   8           HG       SER   8  23.560   4.936  -3.394
   67    H    ASP   9           H        ASP   9  22.597  -0.020  -1.383
   68    HA   ASP   9           HA       ASP   9  19.754  -0.307  -2.098
   69   1HB   ASP   9          1HB       ASP   9  20.202  -2.707  -1.185
   70   2HB   ASP   9          2HB       ASP   9  20.940  -2.234  -2.714
   71    H    ILE  10           H        ILE  10  20.729  -2.174   0.637
   72    HA   ILE  10           HA       ILE  10  18.777  -0.708   2.283
   73    HB   ILE  10           HB       ILE  10  20.211  -3.349   2.555
   74   1HG1  ILE  10          1HG1      ILE  10  17.789  -4.099   2.761
   75   2HG1  ILE  10          2HG1      ILE  10  17.327  -2.449   2.342
   76   1HG2  ILE  10          1HG2      ILE  10  19.198  -1.621   4.686
   77   2HG2  ILE  10          2HG2      ILE  10  18.399  -3.193   4.663
   78   3HG2  ILE  10          3HG2      ILE  10  20.155  -3.098   4.802
   79   1HD1  ILE  10          1HD1      ILE  10  19.322  -3.785   0.577
   80   2HD1  ILE  10          2HD1      ILE  10  17.655  -4.351   0.476
   81   3HD1  ILE  10          3HD1      ILE  10  18.032  -2.657   0.162
   82    H    THR  11           H        THR  11  22.242  -1.472   2.254
   83    HA   THR  11           HA       THR  11  22.855  -0.434   4.844
   84    HB   THR  11           HB       THR  11  25.119  -0.549   4.201
   85    HG1  THR  11           HG1      THR  11  25.530  -0.600   1.812
   86   1HG2  THR  11          1HG2      THR  11  23.541  -2.663   3.727
   87   2HG2  THR  11          2HG2      THR  11  24.135  -2.403   2.087
   88   3HG2  THR  11          3HG2      THR  11  25.274  -2.697   3.400
   89    H    ASP  12           H        ASP  12  21.768   1.170   2.056
   90    HA   ASP  12           HA       ASP  12  23.189   3.643   2.258
   91   1HB   ASP  12          1HB       ASP  12  21.619   2.808   0.380
   92   2HB   ASP  12          2HB       ASP  12  20.309   3.433   1.384
   93    H    ALA  13           H        ALA  13  19.891   2.857   3.455
   94    HA   ALA  13           HA       ALA  13  20.167   5.140   5.332
   95   1HB   ALA  13          1HB       ALA  13  18.143   4.800   3.720
   96   2HB   ALA  13          2HB       ALA  13  17.622   3.598   4.900
   97   3HB   ALA  13          3HB       ALA  13  17.828   5.281   5.387
   98    H    PHE  14           H        PHE  14  19.025   1.741   5.324
   99    HA   PHE  14           HA       PHE  14  18.537   1.313   8.001
  100   1HB   PHE  14          1HB       PHE  14  18.432  -0.465   6.263
  101   2HB   PHE  14          2HB       PHE  14  20.194  -0.534   6.255
  102    HD1  PHE  14           HD1      PHE  14  17.340  -0.639   8.692
  103    HD2  PHE  14           HD2      PHE  14  21.241  -2.093   7.633
  104    HE1  PHE  14           HE1      PHE  14  17.290  -2.184  10.631
  105    HE2  PHE  14           HE2      PHE  14  21.192  -3.638   9.571
  106    HZ   PHE  14           HZ       PHE  14  19.216  -3.685  11.070
  107    H    SER  15           H        SER  15  21.699   1.667   6.482
  108    HA   SER  15           HA       SER  15  22.864   2.059   9.182
  109   1HB   SER  15          1HB       SER  15  23.432  -0.111   7.334
  110   2HB   SER  15          2HB       SER  15  24.878   0.837   7.667
  111    HG   SER  15           HG       SER  15  24.896   0.041   9.610
  112    HA   PRO  16           HA       PRO  16  24.321   5.434   6.427
  113   1HB   PRO  16          1HB       PRO  16  23.277   7.450   7.933
  114   2HB   PRO  16          2HB       PRO  16  22.335   6.580   6.710
  115   1HG   PRO  16          1HG       PRO  16  22.044   6.540   9.603
  116   2HG   PRO  16          2HG       PRO  16  20.967   5.873   8.365
  117   1HD   PRO  16          1HD       PRO  16  22.984   4.492   9.989
  118   2HD   PRO  16          2HD       PRO  16  21.677   3.807   9.009
  119    H    GLN  17           H        GLN  17  23.995   6.395   9.833
  120    HA   GLN  17           HA       GLN  17  26.586   7.567  10.002
  121   1HB   GLN  17          1HB       GLN  17  26.182   7.710  12.371
  122   2HB   GLN  17          2HB       GLN  17  24.631   7.953  11.568
  123   1HG   GLN  17          1HG       GLN  17  23.804   6.256  12.791
  124   2HG   GLN  17          2HG       GLN  17  24.877   5.167  11.909
  125   1HE2  GLN  17          2HE2      GLN  17  24.094   6.095  15.016
  126   2HE2  GLN  17          1HE2      GLN  17  25.561   5.735  15.790
  127    H    VAL  18           H        VAL  18  25.493   4.280  10.319
  128    HA   VAL  18           HA       VAL  18  27.975   3.354  11.605
  129    HB   VAL  18           HB       VAL  18  25.946   1.599  10.259
  130   1HG1  VAL  18          1HG1      VAL  18  28.148   1.333  12.175
  131   2HG1  VAL  18          2HG1      VAL  18  26.666   0.545  12.717
  132   3HG1  VAL  18          3HG1      VAL  18  27.385   0.103  11.168
  133   1HG2  VAL  18          1HG2      VAL  18  25.607   3.328  12.661
  134   2HG2  VAL  18          2HG2      VAL  18  24.397   2.747  11.517
  135   3HG2  VAL  18          3HG2      VAL  18  25.002   1.675  12.780
  136    H    LEU  19           H        LEU  19  26.724   3.782   8.380
  137    HA   LEU  19           HA       LEU  19  28.415   1.894   7.033
  138   1HB   LEU  19          1HB       LEU  19  26.449   3.512   6.169
  139   2HB   LEU  19          2HB       LEU  19  27.827   4.511   5.720
  140    HG   LEU  19           HG       LEU  19  27.852   1.591   5.030
  141   1HD1  LEU  19          1HD1      LEU  19  26.281   3.780   3.664
  142   2HD1  LEU  19          2HD1      LEU  19  26.869   2.376   2.774
  143   3HD1  LEU  19          3HD1      LEU  19  25.743   2.161   4.114
  144   1HD2  LEU  19          1HD2      LEU  19  29.858   3.040   4.721
  145   2HD2  LEU  19          2HD2      LEU  19  29.248   2.414   3.189
  146   3HD2  LEU  19          3HD2      LEU  19  28.914   4.082   3.655
  147    H    ALA  20           H        ALA  20  28.853   5.327   7.867
  148    HA   ALA  20           HA       ALA  20  31.511   5.521   6.753
  149   1HB   ALA  20          1HB       ALA  20  29.654   7.238   8.081
  150   2HB   ALA  20          2HB       ALA  20  31.186   7.325   8.949
  151   3HB   ALA  20          3HB       ALA  20  31.128   7.689   7.224
  152    H    ALA  21           H        ALA  21  30.369   5.266  10.118
  153    HA   ALA  21           HA       ALA  21  32.788   5.044  11.470
  154   1HB   ALA  21          1HB       ALA  21  30.368   4.925  12.384
  155   2HB   ALA  21          2HB       ALA  21  30.454   3.197  12.045
  156   3HB   ALA  21          3HB       ALA  21  31.572   3.926  13.198
  157    H    VAL  22           H        VAL  22  30.930   2.308  10.196
  158    HA   VAL  22           HA       VAL  22  32.687   0.219  10.666
  159    HB   VAL  22           HB       VAL  22  30.784   0.782   8.400
  160   1HG1  VAL  22          1HG1      VAL  22  32.570  -1.666   8.639
  161   2HG1  VAL  22          2HG1      VAL  22  31.229  -1.487   7.507
  162   3HG1  VAL  22          3HG1      VAL  22  32.651  -0.454   7.361
  163   1HG2  VAL  22          1HG2      VAL  22  30.980  -1.182  10.695
  164   2HG2  VAL  22          2HG2      VAL  22  29.758   0.063  10.432
  165   3HG2  VAL  22          3HG2      VAL  22  29.801  -1.363   9.396
  166    H    ILE  23           H        ILE  23  32.777   2.464   7.894
  167    HA   ILE  23           HA       ILE  23  35.054   1.307   6.631
  168    HB   ILE  23           HB       ILE  23  33.896   4.100   6.622
  169   1HG1  ILE  23          1HG1      ILE  23  32.719   2.122   5.525
  170   2HG1  ILE  23          2HG1      ILE  23  33.077   3.477   4.454
  171   1HG2  ILE  23          1HG2      ILE  23  36.453   3.078   5.483
  172   2HG2  ILE  23          2HG2      ILE  23  35.473   4.114   4.446
  173   3HG2  ILE  23          3HG2      ILE  23  36.028   4.706   6.011
  174   1HD1  ILE  23          1HD1      ILE  23  34.886   1.066   4.757
  175   2HD1  ILE  23          2HD1      ILE  23  33.663   1.214   3.496
  176   3HD1  ILE  23          3HD1      ILE  23  35.011   2.350   3.554
  177    H    PHE  24           H        PHE  24  34.930   4.183   8.777
  178    HA   PHE  24           HA       PHE  24  37.573   4.847   9.012
  179   1HB   PHE  24          1HB       PHE  24  35.377   5.492  10.447
  180   2HB   PHE  24          2HB       PHE  24  36.162   4.435  11.620
  181    HD1  PHE  24           HD1      PHE  24  37.418   6.943   9.114
  182    HD2  PHE  24           HD2      PHE  24  37.340   5.650  13.208
  183    HE1  PHE  24           HE1      PHE  24  38.986   8.768   9.721
  184    HE2  PHE  24           HE2      PHE  24  38.907   7.472  13.815
  185    HZ   PHE  24           HZ       PHE  24  39.729   9.032  12.072
  186    H    ILE  25           H        ILE  25  36.034   2.004  10.459
  187    HA   ILE  25           HA       ILE  25  38.491   1.130  11.776
  188    HB   ILE  25           HB       ILE  25  35.864  -0.259  11.171
  189   1HG1  ILE  25          1HG1      ILE  25  36.999   0.207  13.904
  190   2HG1  ILE  25          2HG1      ILE  25  36.333   1.592  13.038
  191   1HG2  ILE  25          1HG2      ILE  25  38.476  -1.356  11.979
  192   2HG2  ILE  25          2HG2      ILE  25  37.147  -1.808  13.047
  193   3HG2  ILE  25          3HG2      ILE  25  37.062  -2.183  11.326
  194   1HD1  ILE  25          1HD1      ILE  25  34.609  -0.761  12.854
  195   2HD1  ILE  25          2HD1      ILE  25  34.872  -0.249  14.521
  196   3HD1  ILE  25          3HD1      ILE  25  34.211   0.886  13.344
  197    H    TYR  26           H        TYR  26  36.726   0.210   8.805
  198    HA   TYR  26           HA       TYR  26  38.494  -1.818   7.901
  199   1HB   TYR  26          1HB       TYR  26  36.818   0.236   6.428
  200   2HB   TYR  26          2HB       TYR  26  37.764  -0.981   5.575
  201    HD1  TYR  26           HD1      TYR  26  36.319  -1.810   8.852
  202    HD2  TYR  26           HD2      TYR  26  35.709  -1.930   4.601
  203    HE1  TYR  26           HE1      TYR  26  34.494  -3.456   9.160
  204    HE2  TYR  26           HE2      TYR  26  33.885  -3.579   4.911
  205    HH   TYR  26           HH       TYR  26  33.438  -5.337   7.611
  206    H    PHE  27           H        PHE  27  38.365   1.485   6.666
  207    HA   PHE  27           HA       PHE  27  40.741   1.862   5.405
  208   1HB   PHE  27          1HB       PHE  27  38.863   3.512   6.803
  209   2HB   PHE  27          2HB       PHE  27  40.484   4.058   7.231
  210    HD1  PHE  27           HD1      PHE  27  39.322   2.467   4.057
  211    HD2  PHE  27           HD2      PHE  27  40.774   6.038   5.954
  212    HE1  PHE  27           HE1      PHE  27  39.533   3.559   1.840
  213    HE2  PHE  27           HE2      PHE  27  40.983   7.129   3.738
  214    HZ   PHE  27           HZ       PHE  27  40.363   5.890   1.681
  215    H    ALA  28           H        ALA  28  40.279   1.515   8.857
  216    HA   ALA  28           HA       ALA  28  42.885   2.297   9.720
  217   1HB   ALA  28          1HB       ALA  28  40.521   1.382  10.913
  218   2HB   ALA  28          2HB       ALA  28  41.730   0.168  11.330
  219   3HB   ALA  28          3HB       ALA  28  41.999   1.860  11.747
  220    H    ALA  29           H        ALA  29  41.595  -1.041   9.394
  221    HA   ALA  29           HA       ALA  29  44.360  -2.050   9.374
  222   1HB   ALA  29          1HB       ALA  29  41.648  -3.299   9.621
  223   2HB   ALA  29          2HB       ALA  29  43.033  -4.301   9.191
  224   3HB   ALA  29          3HB       ALA  29  43.030  -3.406  10.711
  225    H    LEU  30           H        LEU  30  41.529  -2.777   7.290
  226    HA   LEU  30           HA       LEU  30  43.368  -3.604   5.154
  227   1HB   LEU  30          1HB       LEU  30  41.157  -4.132   3.968
  228   2HB   LEU  30          2HB       LEU  30  41.509  -5.061   5.427
  229    HG   LEU  30           HG       LEU  30  40.074  -2.502   5.854
  230   1HD1  LEU  30          1HD1      LEU  30  38.953  -4.798   4.264
  231   2HD1  LEU  30          2HD1      LEU  30  37.897  -3.853   5.313
  232   3HD1  LEU  30          3HD1      LEU  30  38.764  -3.065   3.995
  233   1HD2  LEU  30          1HD2      LEU  30  40.710  -4.447   7.505
  234   2HD2  LEU  30          2HD2      LEU  30  39.129  -3.679   7.645
  235   3HD2  LEU  30          3HD2      LEU  30  39.284  -5.236   6.831
  236    H    SER  31           H        SER  31  43.373  -0.825   5.820
  237    HA   SER  31           HA       SER  31  41.805   0.863   4.247
  238   1HB   SER  31          1HB       SER  31  43.229   2.414   5.034
  239   2HB   SER  31          2HB       SER  31  44.193   1.108   5.713
  240    HG   SER  31           HG       SER  31  44.437   2.391   3.202
  241    HA   PRO  32           HA       PRO  32  44.676  -0.002   0.474
  242   1HB   PRO  32          1HB       PRO  32  46.879  -1.552   0.880
  243   2HB   PRO  32          2HB       PRO  32  46.844   0.188   1.215
  244   1HG   PRO  32          1HG       PRO  32  46.984  -2.043   3.091
  245   2HG   PRO  32          2HG       PRO  32  47.272  -0.320   3.377
  246   1HD   PRO  32          1HD       PRO  32  44.883  -1.879   3.955
  247   2HD   PRO  32          2HD       PRO  32  45.254  -0.212   4.420
  248    H    ALA  33           H        ALA  33  43.318  -2.415   2.332
  249    HA   ALA  33           HA       ALA  33  43.967  -4.675   0.589
  250   1HB   ALA  33          1HB       ALA  33  43.083  -4.475   3.186
  251   2HB   ALA  33          2HB       ALA  33  41.609  -4.932   2.332
  252   3HB   ALA  33          3HB       ALA  33  43.044  -5.951   2.223
  253    H    ILE  34           H        ILE  34  40.782  -3.301   1.485
  254    HA   ILE  34           HA       ILE  34  39.375  -4.370  -0.704
  255    HB   ILE  34           HB       ILE  34  38.948  -2.008   1.101
  256   1HG1  ILE  34          1HG1      ILE  34  36.999  -4.204   0.475
  257   2HG1  ILE  34          2HG1      ILE  34  38.412  -4.569   1.465
  258   1HG2  ILE  34          1HG2      ILE  34  37.301  -2.662  -1.364
  259   2HG2  ILE  34          2HG2      ILE  34  36.740  -1.630  -0.049
  260   3HG2  ILE  34          3HG2      ILE  34  38.131  -1.144  -1.018
  261   1HD1  ILE  34          1HD1      ILE  34  37.611  -2.293   2.672
  262   2HD1  ILE  34          2HD1      ILE  34  36.052  -2.871   2.086
  263   3HD1  ILE  34          3HD1      ILE  34  37.022  -3.885   3.155
  264    H    THR  35           H        THR  35  40.540  -0.981  -0.467
  265    HA   THR  35           HA       THR  35  40.027  -0.136  -3.054
  266    HB   THR  35           HB       THR  35  42.743   0.594  -2.194
  267    HG1  THR  35           HG1      THR  35  40.517   0.972  -0.478
  268   1HG2  THR  35          1HG2      THR  35  40.152   2.106  -2.626
  269   2HG2  THR  35          2HG2      THR  35  41.719   2.862  -2.334
  270   3HG2  THR  35          3HG2      THR  35  41.456   1.911  -3.796
  271    H    PHE  36           H        PHE  36  42.543  -2.354  -2.006
  272    HA   PHE  36           HA       PHE  36  43.762  -2.417  -4.683
  273   1HB   PHE  36          1HB       PHE  36  44.351  -3.739  -2.043
  274   2HB   PHE  36          2HB       PHE  36  45.095  -4.340  -3.525
  275    HD1  PHE  36           HD1      PHE  36  44.359  -0.994  -1.972
  276    HD2  PHE  36           HD2      PHE  36  47.207  -3.493  -3.995
  277    HE1  PHE  36           HE1      PHE  36  46.030   0.838  -1.884
  278    HE2  PHE  36           HE2      PHE  36  48.878  -1.661  -3.907
  279    HZ   PHE  36           HZ       PHE  36  48.288   0.504  -2.851
  280    H    GLY  37           H        GLY  37  41.860  -3.198  -5.850
  281   1HA   GLY  37          1HA       GLY  37  41.829  -5.969  -6.347
  282   2HA   GLY  37          2HA       GLY  37  40.545  -5.663  -5.176
  283    H    GLY  38           H        GLY  38  41.497  -5.343  -8.490
  284   1HA   GLY  38          1HA       GLY  38  39.433  -5.333 -10.006
  285   2HA   GLY  38          2HA       GLY  38  38.932  -3.918  -9.079
  286    H    LEU  39           H        LEU  39  42.052  -3.376  -9.050
  287    HA   LEU  39           HA       LEU  39  42.154  -1.253 -10.836
  288   1HB   LEU  39          1HB       LEU  39  44.128  -2.954  -9.490
  289   2HB   LEU  39          2HB       LEU  39  44.723  -2.273 -11.004
  290    HG   LEU  39           HG       LEU  39  43.503  -0.089  -9.945
  291   1HD1  LEU  39          1HD1      LEU  39  44.050  -1.987  -7.741
  292   2HD1  LEU  39          2HD1      LEU  39  44.646  -0.347  -7.481
  293   3HD1  LEU  39          3HD1      LEU  39  42.933  -0.623  -7.801
  294   1HD2  LEU  39          1HD2      LEU  39  46.170  -1.069 -10.330
  295   2HD2  LEU  39          2HD2      LEU  39  45.619   0.606 -10.296
  296   3HD2  LEU  39          3HD2      LEU  39  46.119  -0.188  -8.803
  297    H    LEU  40           H        LEU  40  42.636  -1.005 -13.029
  298    HA   LEU  40           HA       LEU  40  42.285  -3.433 -14.678
  299   1HB   LEU  40          1HB       LEU  40  41.042  -1.278 -15.146
  300   2HB   LEU  40          2HB       LEU  40  42.590  -0.562 -15.597
  301    HG   LEU  40           HG       LEU  40  42.087  -3.156 -16.882
  302   1HD1  LEU  40          1HD1      LEU  40  39.825  -1.647 -16.659
  303   2HD1  LEU  40          2HD1      LEU  40  40.517  -0.986 -18.140
  304   3HD1  LEU  40          3HD1      LEU  40  40.164  -2.710 -18.025
  305   1HD2  LEU  40          1HD2      LEU  40  42.886  -0.369 -17.763
  306   2HD2  LEU  40          2HD2      LEU  40  43.924  -1.785 -17.602
  307   3HD2  LEU  40          3HD2      LEU  40  42.719  -1.717 -18.888
  308    H    GLY  41           H        GLY  41  44.759  -1.125 -13.780
  309   1HA   GLY  41          1HA       GLY  41  46.962  -2.695 -14.367
  310   2HA   GLY  41          2HA       GLY  41  46.611  -1.882 -15.890
  311    H    GLU  42           H        GLU  42  46.215   0.585 -15.567
  312    HA   GLU  42           HA       GLU  42  48.544   1.617 -14.084
  313   1HB   GLU  42          1HB       GLU  42  46.825   3.580 -15.443
  314   2HB   GLU  42          2HB       GLU  42  48.561   3.318 -15.590
  315   1HG   GLU  42          1HG       GLU  42  47.986   1.224 -16.948
  316   2HG   GLU  42          2HG       GLU  42  46.334   1.842 -17.008
  317    H    LYS  43           H        LYS  43  45.154   2.744 -14.418
  318    HA   LYS  43           HA       LYS  43  45.325   3.681 -11.589
  319   1HB   LYS  43          1HB       LYS  43  44.539   5.061 -13.829
  320   2HB   LYS  43          2HB       LYS  43  42.991   4.501 -13.196
  321   1HG   LYS  43          1HG       LYS  43  43.069   5.986 -11.503
  322   2HG   LYS  43          2HG       LYS  43  44.691   5.462 -11.050
  323   1HD   LYS  43          1HD       LYS  43  45.727   7.065 -12.362
  324   2HD   LYS  43          2HD       LYS  43  44.383   7.152 -13.500
  325   1HE   LYS  43          1HE       LYS  43  43.343   7.962 -11.000
  326   2HE   LYS  43          2HE       LYS  43  44.891   8.789 -11.177
  327   1HZ   LYS  43          1HZ       LYS  43  42.890   8.703 -13.355
  328   2HZ   LYS  43          2HZ       LYS  43  42.878   9.918 -12.168
  329   3HZ   LYS  43          3HZ       LYS  43  44.220   9.746 -13.190
  Start of MODEL   17
    1   1H    ACE   1           HA1      ACE   1  14.039  12.907  14.660
    2   2H    ACE   1           HA2      ACE   1  15.630  13.524  15.106
    3   3H    ACE   1           HA3      ACE   1  14.217  13.955  16.068
    4    H    ARG   2           H        ARG   2  12.973  11.778  16.770
    5    HA   ARG   2           HA       ARG   2  15.024  10.191  18.209
    6   1HB   ARG   2          1HB       ARG   2  12.024  10.455  18.535
    7   2HB   ARG   2          2HB       ARG   2  13.004   9.323  19.469
    8   1HG   ARG   2          1HG       ARG   2  14.449  11.588  19.821
    9   2HG   ARG   2          2HG       ARG   2  12.835  12.280  19.658
   10   1HD   ARG   2          1HD       ARG   2  12.192  11.505  21.682
   11   2HD   ARG   2          2HD       ARG   2  12.860   9.905  21.364
   12    HE   ARG   2           HE       ARG   2  14.985  10.663  22.261
   13   1HH1  ARG   2          1HH1      ARG   2  13.970  13.591  21.401
   14   2HH1  ARG   2          2HH1      ARG   2  14.064  14.350  22.955
   15   1HH2  ARG   2          1HH2      ARG   2  14.446  11.369  24.684
   16   2HH2  ARG   2          2HH2      ARG   2  14.338  13.093  24.813
   17    H    TYR   3           H        TYR   3  15.653   8.972  16.276
   18    HA   TYR   3           HA       TYR   3  13.994   6.571  15.950
   19   1HB   TYR   3          1HB       TYR   3  14.463   8.566  13.746
   20   2HB   TYR   3          2HB       TYR   3  14.299   6.852  13.364
   21    HD1  TYR   3           HD1      TYR   3  12.203   5.642  13.856
   22    HD2  TYR   3           HD2      TYR   3  12.590   9.861  14.568
   23    HE1  TYR   3           HE1      TYR   3   9.738   5.834  14.055
   24    HE2  TYR   3           HE2      TYR   3  10.126  10.052  14.767
   25    HH   TYR   3           HH       TYR   3   8.207   8.492  15.373
   26    HA   PRO   4           HA       PRO   4  18.528   5.742  15.827
   27   1HB   PRO   4          1HB       PRO   4  18.553   4.126  18.024
   28   2HB   PRO   4          2HB       PRO   4  18.726   5.886  18.113
   29   1HG   PRO   4          1HG       PRO   4  16.470   4.201  18.921
   30   2HG   PRO   4          2HG       PRO   4  16.850   5.869  19.375
   31   1HD   PRO   4          1HD       PRO   4  14.939   4.958  17.423
   32   2HD   PRO   4          2HD       PRO   4  15.305   6.624  17.902
   33    H    TYR   5           H        TYR   5  16.995   2.996  17.422
   34    HA   TYR   5           HA       TYR   5  17.967   1.179  15.388
   35   1HB   TYR   5          1HB       TYR   5  17.236   0.887  18.004
   36   2HB   TYR   5          2HB       TYR   5  15.829   0.209  17.184
   37    HD1  TYR   5           HD1      TYR   5  19.547   0.021  17.393
   38    HD2  TYR   5           HD2      TYR   5  15.926  -1.923  16.139
   39    HE1  TYR   5           HE1      TYR   5  20.824  -2.051  16.914
   40    HE2  TYR   5           HE2      TYR   5  17.204  -3.994  15.661
   41    HH   TYR   5           HH       TYR   5  19.890  -4.392  15.036
   42    H    TYR   6           H        TYR   6  14.959   2.879  15.909
   43    HA   TYR   6           HA       TYR   6  13.210   1.237  14.390
   44   1HB   TYR   6          1HB       TYR   6  13.286   4.205  14.930
   45   2HB   TYR   6          2HB       TYR   6  12.031   3.490  13.918
   46    HD1  TYR   6           HD1      TYR   6  11.579   0.887  15.221
   47    HD2  TYR   6           HD2      TYR   6  12.217   4.767  16.951
   48    HE1  TYR   6           HE1      TYR   6  10.345   0.183  17.253
   49    HE2  TYR   6           HE2      TYR   6  10.982   4.063  18.984
   50    HH   TYR   6           HH       TYR   6   9.168   2.296  19.511
   51    H    LEU   7           H        LEU   7  15.077   4.095  13.296
   52    HA   LEU   7           HA       LEU   7  14.450   3.580  10.503
   53   1HB   LEU   7          1HB       LEU   7  15.651   5.679  12.036
   54   2HB   LEU   7          2HB       LEU   7  16.769   5.228  10.749
   55    HG   LEU   7           HG       LEU   7  14.038   5.315   9.767
   56   1HD1  LEU   7          1HD1      LEU   7  15.174   7.833  11.022
   57   2HD1  LEU   7          2HD1      LEU   7  13.780   7.788   9.942
   58   3HD1  LEU   7          3HD1      LEU   7  13.703   6.995  11.516
   59   1HD2  LEU   7          1HD2      LEU   7  16.709   5.890   8.944
   60   2HD2  LEU   7          2HD2      LEU   7  15.257   5.830   7.944
   61   3HD2  LEU   7          3HD2      LEU   7  15.751   7.349   8.692
   62    H    SER   8           H        SER   8  17.389   3.219  12.503
   63    HA   SER   8           HA       SER   8  19.230   2.322  10.659
   64   1HB   SER   8          1HB       SER   8  19.785   2.465  13.022
   65   2HB   SER   8          2HB       SER   8  18.670   1.155  13.400
   66    HG   SER   8           HG       SER   8  20.325  -0.087  13.050
   67    H    ASP   9           H        ASP   9  16.334   0.648  11.683
   68    HA   ASP   9           HA       ASP   9  17.031  -1.982  10.808
   69   1HB   ASP   9          1HB       ASP   9  14.553  -0.524  11.493
   70   2HB   ASP   9          2HB       ASP   9  14.336  -1.869  10.371
   71    H    ILE  10           H        ILE  10  15.228   0.602   9.097
   72    HA   ILE  10           HA       ILE  10  15.047  -0.848   6.629
   73    HB   ILE  10           HB       ILE  10  14.827   2.083   7.327
   74   1HG1  ILE  10          1HG1      ILE  10  12.487   1.158   6.155
   75   2HG1  ILE  10          2HG1      ILE  10  13.045  -0.232   7.086
   76   1HG2  ILE  10          1HG2      ILE  10  15.249   0.856   4.708
   77   2HG2  ILE  10          2HG2      ILE  10  13.728   1.744   4.791
   78   3HG2  ILE  10          3HG2      ILE  10  15.247   2.561   5.157
   79   1HD1  ILE  10          1HD1      ILE  10  13.338   1.318   9.060
   80   2HD1  ILE  10          2HD1      ILE  10  12.538   2.572   8.112
   81   3HD1  ILE  10          3HD1      ILE  10  11.665   1.102   8.545
   82    H    THR  11           H        THR  11  17.481   1.383   7.918
   83    HA   THR  11           HA       THR  11  18.979   1.413   5.405
   84    HB   THR  11           HB       THR  11  20.700   2.619   6.800
   85    HG1  THR  11           HG1      THR  11  18.718   2.568   8.807
   86   1HG2  THR  11          1HG2      THR  11  18.088   3.448   6.009
   87   2HG2  THR  11          2HG2      THR  11  18.456   4.225   7.549
   88   3HG2  THR  11          3HG2      THR  11  19.539   4.437   6.173
   89    H    ASP  12           H        ASP  12  18.491  -1.022   7.470
   90    HA   ASP  12           HA       ASP  12  21.223  -1.882   7.991
   91   1HB   ASP  12          1HB       ASP  12  19.326  -2.596   9.417
   92   2HB   ASP  12          2HB       ASP  12  18.640  -3.471   8.048
   93    H    ALA  13           H        ALA  13  19.459  -1.704   5.175
   94    HA   ALA  13           HA       ALA  13  20.587  -4.198   4.041
   95   1HB   ALA  13          1HB       ALA  13  18.351  -2.393   3.355
   96   2HB   ALA  13          2HB       ALA  13  19.257  -3.013   1.975
   97   3HB   ALA  13          3HB       ALA  13  18.509  -4.133   3.114
   98    H    PHE  14           H        PHE  14  21.757  -1.226   4.596
   99    HA   PHE  14           HA       PHE  14  22.925  -0.760   1.926
  100   1HB   PHE  14          1HB       PHE  14  22.666   0.775   4.447
  101   2HB   PHE  14          2HB       PHE  14  24.159   1.043   3.547
  102    HD1  PHE  14           HD1      PHE  14  23.738   1.191   0.865
  103    HD2  PHE  14           HD2      PHE  14  20.882   2.172   3.922
  104    HE1  PHE  14           HE1      PHE  14  22.514   2.634  -0.739
  105    HE2  PHE  14           HE2      PHE  14  19.659   3.613   2.315
  106    HZ   PHE  14           HZ       PHE  14  20.475   3.843  -0.015
  107    H    SER  15           H        SER  15  23.565  -3.104   3.848
  108    HA   SER  15           HA       SER  15  26.388  -2.645   4.488
  109   1HB   SER  15          1HB       SER  15  24.423  -4.851   4.919
  110   2HB   SER  15          2HB       SER  15  26.136  -5.258   4.936
  111    HG   SER  15           HG       SER  15  24.627  -3.748   6.699
  112    HA   PRO  16           HA       PRO  16  26.818  -5.755   0.807
  113   1HB   PRO  16          1HB       PRO  16  24.578  -6.314  -0.642
  114   2HB   PRO  16          2HB       PRO  16  25.056  -7.234   0.793
  115   1HG   PRO  16          1HG       PRO  16  22.858  -5.312   0.453
  116   2HG   PRO  16          2HG       PRO  16  23.055  -6.601   1.650
  117   1HD   PRO  16          1HD       PRO  16  23.502  -3.813   2.032
  118   2HD   PRO  16          2HD       PRO  16  23.813  -5.119   3.182
  119    H    GLN  17           H        GLN  17  24.197  -3.420   0.102
  120    HA   GLN  17           HA       GLN  17  24.869  -2.803  -2.557
  121   1HB   GLN  17          1HB       GLN  17  23.452  -1.442  -0.363
  122   2HB   GLN  17          2HB       GLN  17  24.166  -0.341  -1.542
  123   1HG   GLN  17          1HG       GLN  17  23.071  -2.277  -3.161
  124   2HG   GLN  17          2HG       GLN  17  21.901  -2.195  -1.844
  125   1HE2  GLN  17          2HE2      GLN  17  21.404   0.263  -1.192
  126   2HE2  GLN  17          1HE2      GLN  17  21.147   1.311  -2.503
  127    H    VAL  18           H        VAL  18  26.361  -1.722   0.447
  128    HA   VAL  18           HA       VAL  18  28.101   0.226  -0.816
  129    HB   VAL  18           HB       VAL  18  28.172  -1.161   1.861
  130   1HG1  VAL  18          1HG1      VAL  18  30.122   0.662   0.524
  131   2HG1  VAL  18          2HG1      VAL  18  29.818   0.900   2.244
  132   3HG1  VAL  18          3HG1      VAL  18  30.418  -0.653   1.662
  133   1HG2  VAL  18          1HG2      VAL  18  26.427   0.667   1.141
  134   2HG2  VAL  18          2HG2      VAL  18  27.220   0.799   2.711
  135   3HG2  VAL  18          3HG2      VAL  18  27.783   1.774   1.354
  136    H    LEU  19           H        LEU  19  28.501  -3.167   0.239
  137    HA   LEU  19           HA       LEU  19  31.218  -3.546  -0.226
  138   1HB   LEU  19          1HB       LEU  19  29.328  -5.274   0.375
  139   2HB   LEU  19          2HB       LEU  19  29.263  -5.529  -1.369
  140    HG   LEU  19           HG       LEU  19  31.928  -5.548   0.008
  141   1HD1  LEU  19          1HD1      LEU  19  30.387  -7.063   1.298
  142   2HD1  LEU  19          2HD1      LEU  19  30.100  -7.958  -0.194
  143   3HD1  LEU  19          3HD1      LEU  19  31.717  -7.911   0.509
  144   1HD2  LEU  19          1HD2      LEU  19  30.897  -6.032  -2.603
  145   2HD2  LEU  19          2HD2      LEU  19  32.568  -6.178  -2.058
  146   3HD2  LEU  19          3HD2      LEU  19  31.490  -7.572  -1.981
  147    H    ALA  20           H        ALA  20  28.620  -3.635  -2.667
  148    HA   ALA  20           HA       ALA  20  30.236  -4.066  -4.952
  149   1HB   ALA  20          1HB       ALA  20  27.557  -3.035  -4.387
  150   2HB   ALA  20          2HB       ALA  20  28.296  -2.239  -5.776
  151   3HB   ALA  20          3HB       ALA  20  28.116  -3.993  -5.758
  152    H    ALA  21           H        ALA  21  29.179  -1.019  -3.474
  153    HA   ALA  21           HA       ALA  21  30.436   0.870  -5.062
  154   1HB   ALA  21          1HB       ALA  21  29.145   1.004  -2.712
  155   2HB   ALA  21          2HB       ALA  21  30.796   1.163  -2.111
  156   3HB   ALA  21          3HB       ALA  21  30.168   2.324  -3.282
  157    H    VAL  22           H        VAL  22  31.899  -0.761  -2.276
  158    HA   VAL  22           HA       VAL  22  34.477   0.214  -2.334
  159    HB   VAL  22           HB       VAL  22  33.496  -2.608  -1.845
  160   1HG1  VAL  22          1HG1      VAL  22  36.279  -1.441  -1.658
  161   2HG1  VAL  22          2HG1      VAL  22  35.787  -2.827  -0.685
  162   3HG1  VAL  22          3HG1      VAL  22  35.773  -2.936  -2.445
  163   1HG2  VAL  22          1HG2      VAL  22  32.985  -0.515  -0.350
  164   2HG2  VAL  22          2HG2      VAL  22  33.528  -2.007   0.420
  165   3HG2  VAL  22          3HG2      VAL  22  34.666  -0.686   0.154
  166    H    ILE  23           H        ILE  23  33.329  -2.580  -4.277
  167    HA   ILE  23           HA       ILE  23  35.736  -2.960  -5.730
  168    HB   ILE  23           HB       ILE  23  32.836  -3.470  -6.428
  169   1HG1  ILE  23          1HG1      ILE  23  34.936  -5.578  -6.212
  170   2HG1  ILE  23          2HG1      ILE  23  34.444  -4.780  -4.718
  171   1HG2  ILE  23          1HG2      ILE  23  35.316  -4.080  -8.066
  172   2HG2  ILE  23          2HG2      ILE  23  33.740  -4.820  -8.349
  173   3HG2  ILE  23          3HG2      ILE  23  33.946  -3.081  -8.551
  174   1HD1  ILE  23          1HD1      ILE  23  32.090  -5.360  -6.240
  175   2HD1  ILE  23          2HD1      ILE  23  33.065  -6.827  -6.147
  176   3HD1  ILE  23          3HD1      ILE  23  32.561  -6.007  -4.668
  177    H    PHE  24           H        PHE  24  32.946  -0.845  -6.410
  178    HA   PHE  24           HA       PHE  24  33.690   0.190  -8.903
  179   1HB   PHE  24          1HB       PHE  24  31.763   0.824  -7.086
  180   2HB   PHE  24          2HB       PHE  24  32.839   2.207  -6.894
  181    HD1  PHE  24           HD1      PHE  24  33.935   2.479  -9.635
  182    HD2  PHE  24           HD2      PHE  24  29.932   1.676  -8.304
  183    HE1  PHE  24           HE1      PHE  24  33.041   3.469 -11.725
  184    HE2  PHE  24           HE2      PHE  24  29.037   2.665 -10.395
  185    HZ   PHE  24           HZ       PHE  24  30.593   3.561 -12.106
  186    H    ILE  25           H        ILE  25  34.971   0.969  -5.693
  187    HA   ILE  25           HA       ILE  25  36.723   3.084  -6.642
  188    HB   ILE  25           HB       ILE  25  36.730   1.395  -4.118
  189   1HG1  ILE  25          1HG1      ILE  25  36.090   4.332  -4.425
  190   2HG1  ILE  25          2HG1      ILE  25  34.852   3.092  -4.631
  191   1HG2  ILE  25          1HG2      ILE  25  38.838   2.942  -5.211
  192   2HG2  ILE  25          2HG2      ILE  25  38.154   3.888  -3.888
  193   3HG2  ILE  25          3HG2      ILE  25  38.741   2.251  -3.591
  194   1HD1  ILE  25          1HD1      ILE  25  36.565   2.898  -2.200
  195   2HD1  ILE  25          2HD1      ILE  25  35.375   4.198  -2.241
  196   3HD1  ILE  25          3HD1      ILE  25  34.854   2.522  -2.404
  197    H    TYR  26           H        TYR  26  37.118  -0.386  -5.902
  198    HA   TYR  26           HA       TYR  26  39.886  -0.634  -6.401
  199   1HB   TYR  26          1HB       TYR  26  38.326  -2.467  -5.618
  200   2HB   TYR  26          2HB       TYR  26  37.749  -2.601  -7.279
  201    HD1  TYR  26           HD1      TYR  26  41.179  -2.053  -5.870
  202    HD2  TYR  26           HD2      TYR  26  38.591  -4.579  -8.185
  203    HE1  TYR  26           HE1      TYR  26  43.103  -3.519  -6.421
  204    HE2  TYR  26           HE2      TYR  26  40.513  -6.044  -8.738
  205    HH   TYR  26           HH       TYR  26  42.742  -6.258  -8.652
  206    H    PHE  27           H        PHE  27  37.229   0.017  -8.485
  207    HA   PHE  27           HA       PHE  27  38.716  -0.511 -10.971
  208   1HB   PHE  27          1HB       PHE  27  36.137  -0.788 -10.476
  209   2HB   PHE  27          2HB       PHE  27  36.094   0.947 -10.793
  210    HD1  PHE  27           HD1      PHE  27  37.355   1.744 -12.960
  211    HD2  PHE  27           HD2      PHE  27  35.992  -2.272 -12.283
  212    HE1  PHE  27           HE1      PHE  27  37.417   1.312 -15.401
  213    HE2  PHE  27           HE2      PHE  27  36.054  -2.705 -14.725
  214    HZ   PHE  27           HZ       PHE  27  36.768  -0.913 -16.284
  215    H    ALA  28           H        ALA  28  37.612   2.125  -8.965
  216    HA   ALA  28           HA       ALA  28  38.571   4.175 -10.839
  217   1HB   ALA  28          1HB       ALA  28  36.848   4.069  -8.448
  218   2HB   ALA  28          2HB       ALA  28  37.839   5.523  -8.579
  219   3HB   ALA  28          3HB       ALA  28  36.727   5.092  -9.879
  220    H    ALA  29           H        ALA  29  39.046   3.866  -7.311
  221    HA   ALA  29           HA       ALA  29  41.561   5.312  -7.468
  222   1HB   ALA  29          1HB       ALA  29  39.866   5.381  -5.566
  223   2HB   ALA  29          2HB       ALA  29  40.501   3.810  -5.077
  224   3HB   ALA  29          3HB       ALA  29  41.557   5.222  -5.093
  225    H    LEU  30           H        LEU  30  40.867   2.036  -6.166
  226    HA   LEU  30           HA       LEU  30  43.717   1.394  -6.317
  227   1HB   LEU  30          1HB       LEU  30  41.274  -0.071  -5.348
  228   2HB   LEU  30          2HB       LEU  30  42.819  -0.902  -5.518
  229    HG   LEU  30           HG       LEU  30  42.433   1.651  -3.931
  230   1HD1  LEU  30          1HD1      LEU  30  41.755  -1.075  -3.288
  231   2HD1  LEU  30          2HD1      LEU  30  43.083  -0.540  -2.258
  232   3HD1  LEU  30          3HD1      LEU  30  41.573   0.370  -2.295
  233   1HD2  LEU  30          1HD2      LEU  30  44.711  -0.346  -4.138
  234   2HD2  LEU  30          2HD2      LEU  30  44.719   1.312  -4.738
  235   3HD2  LEU  30          3HD2      LEU  30  44.658   1.003  -3.003
  236    H    SER  31           H        SER  31  42.162   1.846  -8.849
  237    HA   SER  31           HA       SER  31  42.017  -0.795 -10.088
  238   1HB   SER  31          1HB       SER  31  40.718   0.293 -11.566
  239   2HB   SER  31          2HB       SER  31  41.002   1.778 -10.664
  240    HG   SER  31           HG       SER  31  42.156   2.417 -12.287
  241    HA   PRO  32           HA       PRO  32  46.063   0.828 -12.143
  242   1HB   PRO  32          1HB       PRO  32  46.780   3.413 -11.654
  243   2HB   PRO  32          2HB       PRO  32  45.623   2.950 -12.913
  244   1HG   PRO  32          1HG       PRO  32  45.141   4.379 -10.421
  245   2HG   PRO  32          2HG       PRO  32  44.064   4.157 -11.808
  246   1HD   PRO  32          1HD       PRO  32  44.103   2.702  -9.276
  247   2HD   PRO  32          2HD       PRO  32  42.878   2.673 -10.555
  248    H    ALA  33           H        ALA  33  45.467   1.478  -8.816
  249    HA   ALA  33           HA       ALA  33  48.002   2.122  -7.791
  250   1HB   ALA  33          1HB       ALA  33  45.538   1.342  -6.740
  251   2HB   ALA  33          2HB       ALA  33  46.660   0.105  -6.173
  252   3HB   ALA  33          3HB       ALA  33  46.965   1.806  -5.813
  253    H    ILE  34           H        ILE  34  46.891  -0.879  -9.163
  254    HA   ILE  34           HA       ILE  34  48.939  -2.551  -7.983
  255    HB   ILE  34           HB       ILE  34  47.853  -3.306 -10.646
  256   1HG1  ILE  34          1HG1      ILE  34  46.139  -2.863  -8.186
  257   2HG1  ILE  34          2HG1      ILE  34  45.859  -2.266  -9.823
  258   1HG2  ILE  34          1HG2      ILE  34  49.215  -4.811  -9.210
  259   2HG2  ILE  34          2HG2      ILE  34  47.982  -4.700  -7.955
  260   3HG2  ILE  34          3HG2      ILE  34  47.601  -5.459  -9.501
  261   1HD1  ILE  34          1HD1      ILE  34  45.740  -4.728 -10.534
  262   2HD1  ILE  34          2HD1      ILE  34  45.627  -5.105  -8.814
  263   3HD1  ILE  34          3HD1      ILE  34  44.384  -4.118  -9.585
  264    H    THR  35           H        THR  35  48.623  -1.808 -11.466
  265    HA   THR  35           HA       THR  35  51.333  -2.337 -12.071
  266    HB   THR  35           HB       THR  35  49.715  -0.278 -13.561
  267    HG1  THR  35           HG1      THR  35  49.374  -3.073 -13.395
  268   1HG2  THR  35          1HG2      THR  35  52.109  -0.909 -14.181
  269   2HG2  THR  35          2HG2      THR  35  51.481  -2.507 -14.584
  270   3HG2  THR  35          3HG2      THR  35  50.911  -1.088 -15.462
  271    H    PHE  36           H        PHE  36  49.797   0.862 -11.673
  272    HA   PHE  36           HA       PHE  36  52.131   2.412 -11.874
  273   1HB   PHE  36          1HB       PHE  36  49.442   2.845 -11.076
  274   2HB   PHE  36          2HB       PHE  36  50.468   3.514  -9.805
  275    HD1  PHE  36           HD1      PHE  36  52.630   4.807 -10.748
  276    HD2  PHE  36           HD2      PHE  36  48.949   4.228 -12.884
  277    HE1  PHE  36           HE1      PHE  36  53.169   6.744 -12.200
  278    HE2  PHE  36           HE2      PHE  36  49.489   6.165 -14.337
  279    HZ   PHE  36           HZ       PHE  36  51.599   7.422 -13.995
  280    H    GLY  37           H        GLY  37  53.986   2.004 -10.778
  281   1HA   GLY  37          1HA       GLY  37  54.107   2.282  -7.915
  282   2HA   GLY  37          2HA       GLY  37  54.269   0.585  -8.370
  283    H    GLY  38           H        GLY  38  56.454   1.509  -7.183
  284   1HA   GLY  38          1HA       GLY  38  58.545   1.178  -9.058
  285   2HA   GLY  38          2HA       GLY  38  58.336   2.914  -8.822
  286    H    LEU  39           H        LEU  39  57.582   2.835  -6.071
  287    HA   LEU  39           HA       LEU  39  60.143   2.849  -4.822
  288   1HB   LEU  39          1HB       LEU  39  57.402   2.610  -3.539
  289   2HB   LEU  39          2HB       LEU  39  58.888   3.066  -2.705
  290    HG   LEU  39           HG       LEU  39  58.978   4.862  -4.698
  291   1HD1  LEU  39          1HD1      LEU  39  56.202   3.842  -4.610
  292   2HD1  LEU  39          2HD1      LEU  39  56.353   5.599  -4.574
  293   3HD1  LEU  39          3HD1      LEU  39  57.052   4.681  -5.907
  294   1HD2  LEU  39          1HD2      LEU  39  57.727   4.857  -1.990
  295   2HD2  LEU  39          2HD2      LEU  39  59.085   5.804  -2.598
  296   3HD2  LEU  39          3HD2      LEU  39  57.433   6.269  -3.006
  297    H    LEU  40           H        LEU  40  58.152   1.027  -2.756
  298    HA   LEU  40           HA       LEU  40  59.815  -1.378  -3.313
  299   1HB   LEU  40          1HB       LEU  40  58.850  -0.067  -0.888
  300   2HB   LEU  40          2HB       LEU  40  58.443  -1.785  -0.912
  301    HG   LEU  40           HG       LEU  40  60.659  -1.456   0.096
  302   1HD1  LEU  40          1HD1      LEU  40  60.046  -3.111  -2.138
  303   2HD1  LEU  40          2HD1      LEU  40  61.711  -2.565  -2.334
  304   3HD1  LEU  40          3HD1      LEU  40  61.228  -3.412  -0.864
  305   1HD2  LEU  40          1HD2      LEU  40  61.114   0.681  -1.192
  306   2HD2  LEU  40          2HD2      LEU  40  62.473  -0.441  -1.136
  307   3HD2  LEU  40          3HD2      LEU  40  61.486  -0.323  -2.593
  308    H    GLY  41           H        GLY  41  56.747  -1.267  -1.594
  309   1HA   GLY  41          1HA       GLY  41  54.904  -2.736  -1.860
  310   2HA   GLY  41          2HA       GLY  41  54.825  -1.903  -3.409
  311    H    GLU  42           H        GLU  42  57.380  -4.123  -2.368
  312    HA   GLU  42           HA       GLU  42  56.921  -5.699  -4.809
  313   1HB   GLU  42          1HB       GLU  42  59.021  -6.774  -4.303
  314   2HB   GLU  42          2HB       GLU  42  59.228  -5.045  -4.024
  315   1HG   GLU  42          1HG       GLU  42  58.621  -5.518  -1.580
  316   2HG   GLU  42          2HG       GLU  42  58.838  -7.226  -1.968
  317    H    LYS  43           H        LYS  43  54.986  -5.767  -2.533
  318    HA   LYS  43           HA       LYS  43  55.307  -8.540  -1.540
  319   1HB   LYS  43          1HB       LYS  43  53.450  -6.259  -0.855
  320   2HB   LYS  43          2HB       LYS  43  53.129  -7.901  -0.298
  321   1HG   LYS  43          1HG       LYS  43  55.234  -7.995   0.877
  322   2HG   LYS  43          2HG       LYS  43  55.758  -6.469   0.164
  323   1HD   LYS  43          1HD       LYS  43  54.572  -5.231   1.654
  324   2HD   LYS  43          2HD       LYS  43  53.176  -6.306   1.571
  325   1HE   LYS  43          1HE       LYS  43  53.880  -6.723   3.740
  326   2HE   LYS  43          2HE       LYS  43  54.791  -7.959   2.872
  327   1HZ   LYS  43          1HZ       LYS  43  56.404  -5.813   2.687
  328   2HZ   LYS  43          2HZ       LYS  43  55.727  -5.596   4.229
  329   3HZ   LYS  43          3HZ       LYS  43  56.552  -7.034   3.856
  Start of MODEL   18
    1   1H    ACE   1           HA1      ACE   1  14.065 -13.939   5.902
    2   2H    ACE   1           HA2      ACE   1  14.169 -12.183   6.034
    3   3H    ACE   1           HA3      ACE   1  15.638 -13.144   5.865
    4    H    ARG   2           H        ARG   2  13.272 -11.387   4.177
    5    HA   ARG   2           HA       ARG   2  14.056 -12.669   1.593
    6   1HB   ARG   2          1HB       ARG   2  11.739 -10.779   2.098
    7   2HB   ARG   2          2HB       ARG   2  12.032 -11.743   0.650
    8   1HG   ARG   2          1HG       ARG   2  12.014 -13.415   3.027
    9   2HG   ARG   2          2HG       ARG   2  10.510 -12.505   2.882
   10   1HD   ARG   2          1HD       ARG   2   9.929 -14.233   1.499
   11   2HD   ARG   2          2HD       ARG   2  10.824 -13.291   0.308
   12    HE   ARG   2           HE       ARG   2  12.669 -14.831   0.530
   13   1HH1  ARG   2          1HH2      ARG   2  10.475 -16.825   0.291
   14   2HH1  ARG   2          2HH2      ARG   2  10.758 -17.858   1.651
   15   1HH2  ARG   2          1HH1      ARG   2  12.827 -15.599   3.275
   16   2HH2  ARG   2          2HH1      ARG   2  12.083 -17.161   3.345
   17    H    TYR   3           H        TYR   3  15.459 -11.532   0.352
   18    HA   TYR   3           HA       TYR   3  16.930  -9.771  -0.208
   19   1HB   TYR   3          1HB       TYR   3  15.571  -7.661  -0.820
   20   2HB   TYR   3          2HB       TYR   3  15.183  -9.151  -1.678
   21    HD1  TYR   3           HD1      TYR   3  13.153 -10.445  -1.110
   22    HD2  TYR   3           HD2      TYR   3  14.038  -6.690   0.776
   23    HE1  TYR   3           HE1      TYR   3  10.818 -10.310  -0.287
   24    HE2  TYR   3           HE2      TYR   3  11.704  -6.554   1.600
   25    HH   TYR   3           HH       TYR   3   9.826  -8.460   2.124
   26    HA   PRO   4           HA       PRO   4  17.121  -7.829   3.980
   27   1HB   PRO   4          1HB       PRO   4  19.394  -9.111   4.774
   28   2HB   PRO   4          2HB       PRO   4  17.773  -9.785   5.004
   29   1HG   PRO   4          1HG       PRO   4  19.894 -10.657   3.192
   30   2HG   PRO   4          2HG       PRO   4  18.429 -11.511   3.699
   31   1HD   PRO   4          1HD       PRO   4  18.907 -10.083   1.224
   32   2HD   PRO   4          2HD       PRO   4  17.496 -11.050   1.688
   33    H    TYR   5           H        TYR   5  19.913  -8.648   1.886
   34    HA   TYR   5           HA       TYR   5  21.511  -6.397   2.677
   35   1HB   TYR   5          1HB       TYR   5  21.516  -8.301   0.356
   36   2HB   TYR   5          2HB       TYR   5  22.536  -6.864   0.291
   37    HD1  TYR   5           HD1      TYR   5  21.672  -8.509   3.471
   38    HD2  TYR   5           HD2      TYR   5  24.638  -8.112   0.386
   39    HE1  TYR   5           HE1      TYR   5  23.339  -9.631   4.926
   40    HE2  TYR   5           HE2      TYR   5  26.301  -9.234   1.842
   41    HH   TYR   5           HH       TYR   5  25.605 -11.050   4.369
   42    H    TYR   6           H        TYR   6  18.672  -6.583   0.842
   43    HA   TYR   6           HA       TYR   6  19.288  -4.267  -0.866
   44   1HB   TYR   6          1HB       TYR   6  16.928  -6.100  -0.527
   45   2HB   TYR   6          2HB       TYR   6  16.748  -4.578  -1.397
   46    HD1  TYR   6           HD1      TYR   6  19.714  -6.846  -1.241
   47    HD2  TYR   6           HD2      TYR   6  16.554  -5.227  -3.660
   48    HE1  TYR   6           HE1      TYR   6  20.729  -7.876  -3.255
   49    HE2  TYR   6           HE2      TYR   6  17.571  -6.257  -5.675
   50    HH   TYR   6           HH       TYR   6  20.405  -8.374  -5.427
   51    H    LEU   7           H        LEU   7  16.464  -4.850   1.254
   52    HA   LEU   7           HA       LEU   7  16.132  -1.998   1.684
   53   1HB   LEU   7          1HB       LEU   7  14.250  -3.662   1.646
   54   2HB   LEU   7          2HB       LEU   7  14.830  -4.277   3.194
   55    HG   LEU   7           HG       LEU   7  14.735  -1.556   3.637
   56   1HD1  LEU   7          1HD1      LEU   7  13.564  -1.308   1.433
   57   2HD1  LEU   7          2HD1      LEU   7  12.268  -2.330   2.053
   58   3HD1  LEU   7          3HD1      LEU   7  12.594  -0.767   2.803
   59   1HD2  LEU   7          1HD2      LEU   7  13.909  -3.539   5.027
   60   2HD2  LEU   7          2HD2      LEU   7  12.925  -2.078   5.114
   61   3HD2  LEU   7          3HD2      LEU   7  12.406  -3.432   4.110
   62    H    SER   8           H        SER   8  16.885  -4.673   3.950
   63    HA   SER   8           HA       SER   8  17.320  -3.280   6.280
   64   1HB   SER   8          1HB       SER   8  18.185  -5.242   6.971
   65   2HB   SER   8          2HB       SER   8  18.021  -5.812   5.312
   66    HG   SER   8           HG       SER   8  20.156  -6.031   5.943
   67    H    ASP   9           H        ASP   9  19.285  -3.087   3.393
   68    HA   ASP   9           HA       ASP   9  21.539  -1.815   4.742
   69   1HB   ASP   9          1HB       ASP   9  20.869  -2.688   2.027
   70   2HB   ASP   9          2HB       ASP   9  21.773  -1.174   2.064
   71    H    ILE  10           H        ILE  10  18.852  -0.674   2.687
   72    HA   ILE  10           HA       ILE  10  19.660   2.071   2.666
   73    HB   ILE  10           HB       ILE  10  16.868   0.909   2.444
   74   1HG1  ILE  10          1HG1      ILE  10  18.367   1.837   0.062
   75   2HG1  ILE  10          2HG1      ILE  10  18.983   0.365   0.814
   76   1HG2  ILE  10          1HG2      ILE  10  17.905   3.619   2.439
   77   2HG2  ILE  10          2HG2      ILE  10  17.160   3.234   0.888
   78   3HG2  ILE  10          3HG2      ILE  10  16.229   3.071   2.378
   79   1HD1  ILE  10          1HD1      ILE  10  16.037   0.520   0.480
   80   2HD1  ILE  10          2HD1      ILE  10  16.978   0.358  -1.003
   81   3HD1  ILE  10          3HD1      ILE  10  17.123  -0.853   0.270
   82    H    THR  11           H        THR  11  17.850   0.173   5.015
   83    HA   THR  11           HA       THR  11  17.008   2.551   6.504
   84    HB   THR  11           HB       THR  11  16.353   0.723   8.223
   85    HG1  THR  11           HG1      THR  11  16.091  -1.274   6.722
   86   1HG2  THR  11          1HG2      THR  11  15.216   1.383   5.583
   87   2HG2  THR  11          2HG2      THR  11  14.609  -0.115   6.288
   88   3HG2  THR  11          3HG2      THR  11  14.456   1.402   7.174
   89    H    ASP  12           H        ASP  12  19.421  -0.042   6.922
   90    HA   ASP  12           HA       ASP  12  20.385   1.120   9.427
   91   1HB   ASP  12          1HB       ASP  12  20.868  -1.308   7.849
   92   2HB   ASP  12          2HB       ASP  12  22.322  -0.662   8.611
   93    H    ALA  13           H        ALA  13  20.704   2.180   6.349
   94    HA   ALA  13           HA       ALA  13  23.585   2.823   6.507
   95   1HB   ALA  13          1HB       ALA  13  21.463   3.215   4.396
   96   2HB   ALA  13          2HB       ALA  13  23.053   3.967   4.267
   97   3HB   ALA  13          3HB       ALA  13  22.910   2.210   4.314
   98    H    PHE  14           H        PHE  14  21.323   4.008   8.244
   99    HA   PHE  14           HA       PHE  14  21.463   6.850   7.476
  100   1HB   PHE  14          1HB       PHE  14  19.341   5.796   8.310
  101   2HB   PHE  14          2HB       PHE  14  20.120   5.592   9.880
  102    HD1  PHE  14           HD1      PHE  14  19.989   8.360   7.333
  103    HD2  PHE  14           HD2      PHE  14  19.413   7.179  11.423
  104    HE1  PHE  14           HE1      PHE  14  19.406  10.698   7.927
  105    HE2  PHE  14           HE2      PHE  14  18.831   9.516  12.017
  106    HZ   PHE  14           HZ       PHE  14  18.828  11.276  10.270
  107    H    SER  15           H        SER  15  23.839   5.226   8.586
  108    HA   SER  15           HA       SER  15  24.886   7.337  10.251
  109   1HB   SER  15          1HB       SER  15  23.301   5.517  11.574
  110   2HB   SER  15          2HB       SER  15  24.917   4.860  11.812
  111    HG   SER  15           HG       SER  15  24.890   7.553  12.125
  112    HA   PRO  16           HA       PRO  16  28.147   3.847   9.762
  113   1HB   PRO  16          1HB       PRO  16  27.345   1.377   8.917
  114   2HB   PRO  16          2HB       PRO  16  27.360   1.872  10.619
  115   1HG   PRO  16          1HG       PRO  16  25.079   1.433   8.830
  116   2HG   PRO  16          2HG       PRO  16  25.134   1.474  10.598
  117   1HD   PRO  16          1HD       PRO  16  24.253   3.536   8.824
  118   2HD   PRO  16          2HD       PRO  16  24.337   3.594  10.590
  119    H    GLN  17           H        GLN  17  25.634   4.074   7.362
  120    HA   GLN  17           HA       GLN  17  27.239   3.189   5.113
  121   1HB   GLN  17          1HB       GLN  17  24.881   3.162   4.776
  122   2HB   GLN  17          2HB       GLN  17  24.699   4.809   5.377
  123   1HG   GLN  17          1HG       GLN  17  26.415   4.308   2.965
  124   2HG   GLN  17          2HG       GLN  17  24.661   4.361   2.785
  125   1HE2  GLN  17          2HE2      GLN  17  25.779   6.394   1.464
  126   2HE2  GLN  17          1HE2      GLN  17  25.717   7.855   2.325
  127    H    VAL  18           H        VAL  18  27.183   5.985   7.063
  128    HA   VAL  18           HA       VAL  18  28.244   7.797   5.015
  129    HB   VAL  18           HB       VAL  18  27.545   7.991   7.924
  130   1HG1  VAL  18          1HG1      VAL  18  29.551   9.649   6.454
  131   2HG1  VAL  18          2HG1      VAL  18  28.408  10.493   7.498
  132   3HG1  VAL  18          3HG1      VAL  18  29.464   9.252   8.171
  133   1HG2  VAL  18          1HG2      VAL  18  26.652   9.076   5.314
  134   2HG2  VAL  18          2HG2      VAL  18  25.708   8.669   6.746
  135   3HG2  VAL  18          3HG2      VAL  18  26.584  10.199   6.672
  136    H    LEU  19           H        LEU  19  29.466   5.793   7.652
  137    HA   LEU  19           HA       LEU  19  32.145   6.862   7.674
  138   1HB   LEU  19          1HB       LEU  19  30.807   5.020   9.195
  139   2HB   LEU  19          2HB       LEU  19  31.818   3.963   8.209
  140    HG   LEU  19           HG       LEU  19  33.750   5.575   8.833
  141   1HD1  LEU  19          1HD1      LEU  19  32.091   7.262   9.797
  142   2HD1  LEU  19          2HD1      LEU  19  31.901   6.155  11.157
  143   3HD1  LEU  19          3HD1      LEU  19  33.475   6.877  10.821
  144   1HD2  LEU  19          1HD2      LEU  19  32.885   3.201   9.874
  145   2HD2  LEU  19          2HD2      LEU  19  34.362   4.016  10.386
  146   3HD2  LEU  19          3HD2      LEU  19  32.877   4.218  11.315
  147    H    ALA  20           H        ALA  20  30.766   3.952   6.101
  148    HA   ALA  20           HA       ALA  20  33.050   3.207   4.613
  149   1HB   ALA  20          1HB       ALA  20  30.114   2.830   4.347
  150   2HB   ALA  20          2HB       ALA  20  31.059   2.596   2.877
  151   3HB   ALA  20          3HB       ALA  20  31.406   1.630   4.311
  152    H    ALA  21           H        ALA  21  30.355   5.327   3.687
  153    HA   ALA  21           HA       ALA  21  31.101   6.149   1.153
  154   1HB   ALA  21          1HB       ALA  21  29.458   7.169   3.253
  155   2HB   ALA  21          2HB       ALA  21  30.423   8.508   2.634
  156   3HB   ALA  21          3HB       ALA  21  29.397   7.582   1.539
  157    H    VAL  22           H        VAL  22  32.175   7.629   4.187
  158    HA   VAL  22           HA       VAL  22  33.945   9.545   3.284
  159    HB   VAL  22           HB       VAL  22  34.132   7.654   5.632
  160   1HG1  VAL  22          1HG1      VAL  22  36.093   9.799   4.777
  161   2HG1  VAL  22          2HG1      VAL  22  35.954   9.257   6.449
  162   3HG1  VAL  22          3HG1      VAL  22  36.440   8.120   5.192
  163   1HG2  VAL  22          1HG2      VAL  22  33.367  10.519   5.130
  164   2HG2  VAL  22          2HG2      VAL  22  32.480   9.270   6.004
  165   3HG2  VAL  22          3HG2      VAL  22  33.900  10.018   6.735
  166    H    ILE  23           H        ILE  23  34.709   6.062   3.648
  167    HA   ILE  23           HA       ILE  23  37.383   6.330   2.622
  168    HB   ILE  23           HB       ILE  23  35.652   3.851   2.452
  169   1HG1  ILE  23          1HG1      ILE  23  37.283   4.916   4.782
  170   2HG1  ILE  23          2HG1      ILE  23  35.526   4.762   4.732
  171   1HG2  ILE  23          1HG2      ILE  23  38.192   4.312   1.534
  172   2HG2  ILE  23          2HG2      ILE  23  38.517   3.725   3.165
  173   3HG2  ILE  23          3HG2      ILE  23  37.595   2.731   2.038
  174   1HD1  ILE  23          1HD1      ILE  23  36.020   2.251   4.180
  175   2HD1  ILE  23          2HD1      ILE  23  37.607   2.595   4.866
  176   3HD1  ILE  23          3HD1      ILE  23  36.158   2.803   5.849
  177    H    PHE  24           H        PHE  24  34.257   5.650   1.060
  178    HA   PHE  24           HA       PHE  24  35.184   4.970  -1.515
  179   1HB   PHE  24          1HB       PHE  24  32.711   5.546  -0.381
  180   2HB   PHE  24          2HB       PHE  24  32.913   6.823  -1.581
  181    HD1  PHE  24           HD1      PHE  24  33.242   3.109  -1.165
  182    HD2  PHE  24           HD2      PHE  24  32.486   6.382  -3.845
  183    HE1  PHE  24           HE1      PHE  24  32.704   1.502  -2.977
  184    HE2  PHE  24           HE2      PHE  24  31.948   4.774  -5.655
  185    HZ   PHE  24           HZ       PHE  24  32.058   2.336  -5.221
  186    H    ILE  25           H        ILE  25  34.814   8.150   0.004
  187    HA   ILE  25           HA       ILE  25  35.557   9.666  -2.349
  188    HB   ILE  25           HB       ILE  25  36.083  10.569   0.487
  189   1HG1  ILE  25          1HG1      ILE  25  33.414  10.325  -0.934
  190   2HG1  ILE  25          2HG1      ILE  25  33.870   9.612   0.612
  191   1HG2  ILE  25          1HG2      ILE  25  36.533  11.843  -1.810
  192   2HG2  ILE  25          2HG2      ILE  25  34.813  12.208  -1.670
  193   3HG2  ILE  25          3HG2      ILE  25  35.926  12.702  -0.395
  194   1HD1  ILE  25          1HD1      ILE  25  34.293  12.483   0.649
  195   2HD1  ILE  25          2HD1      ILE  25  32.626  12.100   0.218
  196   3HD1  ILE  25          3HD1      ILE  25  33.311  11.489   1.723
  197    H    TYR  26           H        TYR  26  37.378   8.227   0.371
  198    HA   TYR  26           HA       TYR  26  39.895   9.383  -0.369
  199   1HB   TYR  26          1HB       TYR  26  39.354   8.057   1.785
  200   2HB   TYR  26          2HB       TYR  26  39.640   6.613   0.807
  201    HD1  TYR  26           HD1      TYR  26  41.233  10.006   1.020
  202    HD2  TYR  26           HD2      TYR  26  41.787   5.748   1.128
  203    HE1  TYR  26           HE1      TYR  26  43.683  10.331   1.226
  204    HE2  TYR  26           HE2      TYR  26  44.238   6.073   1.330
  205    HH   TYR  26           HH       TYR  26  45.758   9.007   0.706
  206    H    PHE  27           H        PHE  27  37.908   6.935  -1.750
  207    HA   PHE  27           HA       PHE  27  39.984   5.624  -3.328
  208   1HB   PHE  27          1HB       PHE  27  37.381   4.992  -2.739
  209   2HB   PHE  27          2HB       PHE  27  37.186   5.695  -4.343
  210    HD1  PHE  27           HD1      PHE  27  39.384   3.255  -2.511
  211    HD2  PHE  27           HD2      PHE  27  37.486   4.325  -6.215
  212    HE1  PHE  27           HE1      PHE  27  40.200   1.151  -3.541
  213    HE2  PHE  27           HE2      PHE  27  38.302   2.221  -7.240
  214    HZ   PHE  27           HZ       PHE  27  39.659   0.634  -5.904
  215    H    ALA  28           H        ALA  28  37.742   8.265  -3.616
  216    HA   ALA  28           HA       ALA  28  38.082   8.945  -6.356
  217   1HB   ALA  28          1HB       ALA  28  36.819  10.008  -4.047
  218   2HB   ALA  28          2HB       ALA  28  37.879  11.280  -4.655
  219   3HB   ALA  28          3HB       ALA  28  36.649  10.581  -5.707
  220    H    ALA  29           H        ALA  29  39.743  10.069  -3.444
  221    HA   ALA  29           HA       ALA  29  41.660  11.775  -4.683
  222   1HB   ALA  29          1HB       ALA  29  41.228  10.519  -2.056
  223   2HB   ALA  29          2HB       ALA  29  42.912  10.890  -2.423
  224   3HB   ALA  29          3HB       ALA  29  41.700  12.172  -2.449
  225    H    LEU  30           H        LEU  30  41.898   8.379  -3.686
  226    HA   LEU  30           HA       LEU  30  44.590   7.845  -4.132
  227   1HB   LEU  30          1HB       LEU  30  44.050   5.592  -4.123
  228   2HB   LEU  30          2HB       LEU  30  42.600   6.280  -3.396
  229    HG   LEU  30           HG       LEU  30  41.791   6.428  -5.911
  230   1HD1  LEU  30          1HD1      LEU  30  44.266   4.931  -6.073
  231   2HD1  LEU  30          2HD1      LEU  30  42.908   3.968  -6.651
  232   3HD1  LEU  30          3HD1      LEU  30  43.245   5.540  -7.376
  233   1HD2  LEU  30          1HD2      LEU  30  41.534   4.498  -3.801
  234   2HD2  LEU  30          2HD2      LEU  30  40.361   4.914  -5.051
  235   3HD2  LEU  30          3HD2      LEU  30  41.549   3.644  -5.345
  236    H    SER  31           H        SER  31  42.400   8.835  -6.537
  237    HA   SER  31           HA       SER  31  42.817   7.695  -8.894
  238   1HB   SER  31          1HB       SER  31  41.888   9.683  -9.389
  239   2HB   SER  31          2HB       SER  31  42.744  10.501  -8.086
  240    HG   SER  31           HG       SER  31  43.427  10.143 -10.753
  241    HA   PRO  32           HA       PRO  32  47.404   9.001  -9.493
  242   1HB   PRO  32          1HB       PRO  32  48.595  10.500  -7.542
  243   2HB   PRO  32          2HB       PRO  32  47.662  11.193  -8.878
  244   1HG   PRO  32          1HG       PRO  32  46.992  11.053  -6.042
  245   2HG   PRO  32          2HG       PRO  32  46.248  12.023  -7.324
  246   1HD   PRO  32          1HD       PRO  32  45.318   9.539  -6.169
  247   2HD   PRO  32          2HD       PRO  32  44.484  10.577  -7.337
  248    H    ALA  33           H        ALA  33  46.595   8.179  -6.150
  249    HA   ALA  33           HA       ALA  33  49.002   7.034  -5.258
  250   1HB   ALA  33          1HB       ALA  33  46.228   6.901  -4.545
  251   2HB   ALA  33          2HB       ALA  33  46.895   5.269  -4.520
  252   3HB   ALA  33          3HB       ALA  33  47.634   6.539  -3.544
  253    H    ILE  34           H        ILE  34  46.882   5.983  -7.785
  254    HA   ILE  34           HA       ILE  34  47.181   3.266  -8.005
  255    HB   ILE  34           HB       ILE  34  46.155   4.860  -9.719
  256   1HG1  ILE  34          1HG1      ILE  34  46.995   3.290 -11.664
  257   2HG1  ILE  34          2HG1      ILE  34  47.799   2.426 -10.353
  258   1HG2  ILE  34          1HG2      ILE  34  48.437   6.095  -9.914
  259   2HG2  ILE  34          2HG2      ILE  34  48.881   4.782 -11.003
  260   3HG2  ILE  34          3HG2      ILE  34  47.510   5.822 -11.389
  261   1HD1  ILE  34          1HD1      ILE  34  45.113   3.050  -9.545
  262   2HD1  ILE  34          2HD1      ILE  34  45.067   2.261 -11.121
  263   3HD1  ILE  34          3HD1      ILE  34  45.854   1.464  -9.759
  264    H    THR  35           H        THR  35  49.708   5.678  -8.602
  265    HA   THR  35           HA       THR  35  51.727   4.001  -9.643
  266    HB   THR  35           HB       THR  35  53.079   5.683  -7.887
  267    HG1  THR  35           HG1      THR  35  51.704   7.126  -7.287
  268   1HG2  THR  35          1HG2      THR  35  53.220   5.292 -10.450
  269   2HG2  THR  35          2HG2      THR  35  52.082   6.635 -10.563
  270   3HG2  THR  35          3HG2      THR  35  53.664   6.880  -9.822
  271    H    PHE  36           H        PHE  36  51.163   4.886  -6.244
  272    HA   PHE  36           HA       PHE  36  52.978   3.099  -5.048
  273   1HB   PHE  36          1HB       PHE  36  51.617   4.893  -3.887
  274   2HB   PHE  36          2HB       PHE  36  50.241   3.793  -3.948
  275    HD1  PHE  36           HD1      PHE  36  53.902   3.499  -3.125
  276    HD2  PHE  36           HD2      PHE  36  49.853   2.654  -1.966
  277    HE1  PHE  36           HE1      PHE  36  54.726   2.340  -1.092
  278    HE2  PHE  36           HE2      PHE  36  50.675   1.495   0.067
  279    HZ   PHE  36           HZ       PHE  36  53.112   1.337   0.503
  280    H    GLY  37           H        GLY  37  53.066   0.917  -5.224
  281   1HA   GLY  37          1HA       GLY  37  50.809  -0.587  -6.291
  282   2HA   GLY  37          2HA       GLY  37  52.365  -1.262  -5.808
  283    H    GLY  38           H        GLY  38  50.493  -2.849  -5.014
  284   1HA   GLY  38          1HA       GLY  38  50.604  -3.031  -2.222
  285   2HA   GLY  38          2HA       GLY  38  49.112  -2.155  -2.574
  286    H    LEU  39           H        LEU  39  50.650  -4.775  -4.433
  287    HA   LEU  39           HA       LEU  39  48.069  -6.173  -4.560
  288   1HB   LEU  39          1HB       LEU  39  49.189  -7.678  -6.107
  289   2HB   LEU  39          2HB       LEU  39  49.624  -6.019  -6.523
  290    HG   LEU  39           HG       LEU  39  51.574  -6.638  -4.707
  291   1HD1  LEU  39          1HD1      LEU  39  50.555  -9.042  -4.857
  292   2HD1  LEU  39          2HD1      LEU  39  51.373  -9.106  -6.418
  293   3HD1  LEU  39          3HD1      LEU  39  52.307  -8.854  -4.943
  294   1HD2  LEU  39          1HD2      LEU  39  51.505  -5.791  -7.243
  295   2HD2  LEU  39          2HD2      LEU  39  52.995  -6.392  -6.516
  296   3HD2  LEU  39          3HD2      LEU  39  52.031  -7.446  -7.549
  297    H    LEU  40           H        LEU  40  47.764  -8.353  -3.796
  298    HA   LEU  40           HA       LEU  40  49.505  -9.007  -1.463
  299   1HB   LEU  40          1HB       LEU  40  47.415 -10.633  -1.077
  300   2HB   LEU  40          2HB       LEU  40  47.380  -8.949  -0.557
  301    HG   LEU  40           HG       LEU  40  46.518  -9.594  -3.352
  302   1HD1  LEU  40          1HD1      LEU  40  44.798  -9.965  -0.882
  303   2HD1  LEU  40          2HD1      LEU  40  44.218  -9.999  -2.547
  304   3HD1  LEU  40          3HD1      LEU  40  45.324 -11.246  -1.974
  305   1HD2  LEU  40          1HD2      LEU  40  46.663  -7.317  -1.763
  306   2HD2  LEU  40          2HD2      LEU  40  45.733  -7.472  -3.254
  307   3HD2  LEU  40          3HD2      LEU  40  44.956  -7.755  -1.697
  308    H    GLY  41           H        GLY  41  47.372 -11.213  -3.222
  309   1HA   GLY  41          1HA       GLY  41  47.835 -13.308  -4.176
  310   2HA   GLY  41          2HA       GLY  41  49.261 -12.519  -4.856
  311    H    GLU  42           H        GLU  42  50.819 -14.089  -4.471
  312    HA   GLU  42           HA       GLU  42  50.985 -15.683  -2.106
  313   1HB   GLU  42          1HB       GLU  42  52.180 -16.034  -4.362
  314   2HB   GLU  42          2HB       GLU  42  53.375 -14.877  -3.770
  315   1HG   GLU  42          1HG       GLU  42  53.086 -16.565  -1.614
  316   2HG   GLU  42          2HG       GLU  42  52.924 -17.672  -2.978
  317    H    LYS  43           H        LYS  43  52.256 -12.485  -2.900
  318    HA   LYS  43           HA       LYS  43  54.079 -12.209  -0.732
  319   1HB   LYS  43          1HB       LYS  43  54.114 -10.548  -2.464
  320   2HB   LYS  43          2HB       LYS  43  52.406 -10.176  -2.227
  321   1HG   LYS  43          1HG       LYS  43  53.753  -8.439  -1.171
  322   2HG   LYS  43          2HG       LYS  43  52.938  -9.381   0.078
  323   1HD   LYS  43          1HD       LYS  43  55.125  -9.275   0.901
  324   2HD   LYS  43          2HD       LYS  43  55.129 -10.822   0.051
  325   1HE   LYS  43          1HE       LYS  43  55.874  -9.352  -2.006
  326   2HE   LYS  43          2HE       LYS  43  56.374  -8.213  -0.756
  327   1HZ   LYS  43          1HZ       LYS  43  57.177 -10.848  -0.091
  328   2HZ   LYS  43          2HZ       LYS  43  57.754 -10.434  -1.632
  329   3HZ   LYS  43          3HZ       LYS  43  58.130  -9.456  -0.294
  Start of MODEL   19
    1   1H    ACE   1           HA1      ACE   1  34.282 -26.819  -0.559
    2   2H    ACE   1           HA2      ACE   1  36.022 -26.646  -0.330
    3   3H    ACE   1           HA3      ACE   1  35.352 -26.748  -1.958
    4    H    ARG   2           H        ARG   2  35.390 -24.794  -2.945
    5    HA   ARG   2           HA       ARG   2  35.883 -22.315  -1.726
    6   1HB   ARG   2          1HB       ARG   2  35.323 -23.225  -4.328
    7   2HB   ARG   2          2HB       ARG   2  34.107 -21.991  -3.996
    8   1HG   ARG   2          1HG       ARG   2  36.017 -20.853  -4.911
    9   2HG   ARG   2          2HG       ARG   2  35.992 -20.501  -3.183
   10   1HD   ARG   2          1HD       ARG   2  37.700 -22.144  -2.745
   11   2HD   ARG   2          2HD       ARG   2  37.608 -22.756  -4.397
   12    HE   ARG   2           HE       ARG   2  38.258 -20.030  -4.615
   13   1HH1  ARG   2          1HH1      ARG   2  39.565 -21.940  -2.222
   14   2HH1  ARG   2          2HH1      ARG   2  41.197 -21.877  -2.799
   15   1HH2  ARG   2          1HH2      ARG   2  40.361 -20.349  -5.798
   16   2HH2  ARG   2          2HH2      ARG   2  41.648 -20.974  -4.822
   17    H    TYR   3           H        TYR   3  34.119 -20.429  -1.959
   18    HA   TYR   3           HA       TYR   3  31.458 -21.332  -1.050
   19   1HB   TYR   3          1HB       TYR   3  33.458 -20.527   0.781
   20   2HB   TYR   3          2HB       TYR   3  32.333 -19.174   0.657
   21    HD1  TYR   3           HD1      TYR   3  29.854 -20.806  -0.065
   22    HD2  TYR   3           HD2      TYR   3  32.855 -21.318   2.967
   23    HE1  TYR   3           HE1      TYR   3  28.221 -22.029   1.346
   24    HE2  TYR   3           HE2      TYR   3  31.222 -22.541   4.377
   25    HH   TYR   3           HH       TYR   3  27.828 -22.851   3.406
   26    HA   PRO   4           HA       PRO   4  31.013 -17.689  -3.762
   27   1HB   PRO   4          1HB       PRO   4  28.922 -18.733  -5.170
   28   2HB   PRO   4          2HB       PRO   4  30.618 -19.067  -5.557
   29   1HG   PRO   4          1HG       PRO   4  28.596 -20.835  -4.378
   30   2HG   PRO   4          2HG       PRO   4  30.117 -21.242  -5.188
   31   1HD   PRO   4          1HD       PRO   4  29.596 -21.182  -2.368
   32   2HD   PRO   4          2HD       PRO   4  31.122 -21.557  -3.185
   33    H    TYR   5           H        TYR   5  28.454 -19.569  -2.132
   34    HA   TYR   5           HA       TYR   5  26.501 -17.457  -2.153
   35   1HB   TYR   5          1HB       TYR   5  26.642 -20.135  -1.243
   36   2HB   TYR   5          2HB       TYR   5  26.232 -19.158   0.165
   37    HD1  TYR   5           HD1      TYR   5  24.833 -16.905  -1.392
   38    HD2  TYR   5           HD2      TYR   5  24.493 -21.184  -1.552
   39    HE1  TYR   5           HE1      TYR   5  22.507 -16.689  -2.222
   40    HE2  TYR   5           HE2      TYR   5  22.167 -20.968  -2.380
   41    HH   TYR   5           HH       TYR   5  20.450 -19.538  -2.680
   42    H    TYR   6           H        TYR   6  29.194 -18.251  -0.060
   43    HA   TYR   6           HA       TYR   6  28.678 -16.880   2.294
   44   1HB   TYR   6          1HB       TYR   6  30.821 -18.074   1.594
   45   2HB   TYR   6          2HB       TYR   6  31.275 -16.576   0.782
   46    HD1  TYR   6           HD1      TYR   6  31.517 -14.460   2.101
   47    HD2  TYR   6           HD2      TYR   6  30.937 -18.277   3.984
   48    HE1  TYR   6           HE1      TYR   6  32.303 -13.516   4.256
   49    HE2  TYR   6           HE2      TYR   6  31.724 -17.332   6.139
   50    HH   TYR   6           HH       TYR   6  33.296 -15.313   6.793
   51    H    LEU   7           H        LEU   7  29.662 -15.505  -0.804
   52    HA   LEU   7           HA       LEU   7  30.123 -12.843  -0.061
   53   1HB   LEU   7          1HB       LEU   7  29.154 -14.184  -2.544
   54   2HB   LEU   7          2HB       LEU   7  28.973 -12.433  -2.443
   55    HG   LEU   7           HG       LEU   7  31.379 -12.217  -1.920
   56   1HD1  LEU   7          1HD1      LEU   7  31.526 -14.514  -0.859
   57   2HD1  LEU   7          2HD1      LEU   7  31.536 -15.189  -2.489
   58   3HD1  LEU   7          3HD1      LEU   7  32.845 -14.129  -1.965
   59   1HD2  LEU   7          1HD2      LEU   7  30.231 -12.731  -4.363
   60   2HD2  LEU   7          2HD2      LEU   7  31.906 -12.228  -4.136
   61   3HD2  LEU   7          3HD2      LEU   7  31.515 -13.939  -4.313
   62    H    SER   8           H        SER   8  27.004 -14.193  -1.189
   63    HA   SER   8           HA       SER   8  25.628 -11.789  -0.171
   64   1HB   SER   8          1HB       SER   8  25.159 -13.253  -2.372
   65   2HB   SER   8          2HB       SER   8  24.091 -14.097  -1.253
   66    HG   SER   8           HG       SER   8  23.519 -11.732  -0.704
   67    H    ASP   9           H        ASP   9  26.786 -14.312   1.405
   68    HA   ASP   9           HA       ASP   9  24.348 -15.105   2.851
   69   1HB   ASP   9          1HB       ASP   9  27.241 -15.947   3.025
   70   2HB   ASP   9          2HB       ASP   9  26.026 -16.505   4.175
   71    H    ILE  10           H        ILE  10  27.553 -14.211   4.149
   72    HA   ILE  10           HA       ILE  10  26.338 -13.122   6.551
   73    HB   ILE  10           HB       ILE  10  29.201 -12.761   5.659
   74   1HG1  ILE  10          1HG1      ILE  10  28.615 -15.126   5.400
   75   2HG1  ILE  10          2HG1      ILE  10  29.629 -14.923   6.828
   76   1HG2  ILE  10          1HG2      ILE  10  28.350 -11.543   7.694
   77   2HG2  ILE  10          2HG2      ILE  10  27.973 -13.110   8.410
   78   3HG2  ILE  10          3HG2      ILE  10  29.645 -12.689   8.042
   79   1HD1  ILE  10          1HD1      ILE  10  27.053 -14.544   7.805
   80   2HD1  ILE  10          2HD1      ILE  10  26.864 -15.852   6.637
   81   3HD1  ILE  10          3HD1      ILE  10  28.011 -16.016   7.967
   82    H    THR  11           H        THR  11  27.060 -11.779   3.472
   83    HA   THR  11           HA       THR  11  27.695  -9.100   4.244
   84    HB   THR  11           HB       THR  11  26.630  -8.564   1.935
   85    HG1  THR  11           HG1      THR  11  25.985 -10.236   0.774
   86   1HG2  THR  11          1HG2      THR  11  28.979 -10.391   2.422
   87   2HG2  THR  11          2HG2      THR  11  28.574  -9.836   0.798
   88   3HG2  THR  11          3HG2      THR  11  28.986  -8.667   2.052
   89    H    ASP  12           H        ASP  12  24.826 -10.862   4.678
   90    HA   ASP  12           HA       ASP  12  22.978  -8.622   4.409
   91   1HB   ASP  12          1HB       ASP  12  22.660 -11.341   4.479
   92   2HB   ASP  12          2HB       ASP  12  22.167 -10.891   6.112
   93    H    ALA  13           H        ALA  13  24.673 -10.229   7.085
   94    HA   ALA  13           HA       ALA  13  23.365  -8.607   9.119
   95   1HB   ALA  13          1HB       ALA  13  25.520 -10.658   9.041
   96   2HB   ALA  13          2HB       ALA  13  25.550  -9.529  10.395
   97   3HB   ALA  13          3HB       ALA  13  24.126 -10.533  10.115
   98    H    PHE  14           H        PHE  14  26.132  -8.226   7.047
   99    HA   PHE  14           HA       PHE  14  27.245  -6.066   8.715
  100   1HB   PHE  14          1HB       PHE  14  28.158  -7.657   6.392
  101   2HB   PHE  14          2HB       PHE  14  28.687  -5.974   6.405
  102    HD1  PHE  14           HD1      PHE  14  27.933  -7.633   9.574
  103    HD2  PHE  14           HD2      PHE  14  31.045  -6.691   6.766
  104    HE1  PHE  14           HE1      PHE  14  29.642  -8.183  11.284
  105    HE2  PHE  14           HE2      PHE  14  32.754  -7.240   8.477
  106    HZ   PHE  14           HZ       PHE  14  32.053  -7.985  10.736
  107    H    SER  15           H        SER  15  24.563  -5.801   7.545
  108    HA   SER  15           HA       SER  15  24.456  -4.200   5.229
  109   1HB   SER  15          1HB       SER  15  22.729  -4.697   7.553
  110   2HB   SER  15          2HB       SER  15  22.510  -3.098   6.848
  111    HG   SER  15           HG       SER  15  21.275  -4.259   5.552
  112    HA   PRO  16           HA       PRO  16  25.277  -0.391   8.106
  113   1HB   PRO  16          1HB       PRO  16  26.004  -0.893  10.685
  114   2HB   PRO  16          2HB       PRO  16  24.318  -0.726  10.168
  115   1HG   PRO  16          1HG       PRO  16  25.795  -3.138  10.971
  116   2HG   PRO  16          2HG       PRO  16  24.051  -2.837  10.947
  117   1HD   PRO  16          1HD       PRO  16  25.574  -4.307   9.035
  118   2HD   PRO  16          2HD       PRO  16  23.853  -3.902   8.958
  119    H    GLN  17           H        GLN  17  27.272  -3.250   8.470
  120    HA   GLN  17           HA       GLN  17  29.721  -1.792   9.059
  121   1HB   GLN  17          1HB       GLN  17  29.045  -4.375   9.361
  122   2HB   GLN  17          2HB       GLN  17  29.829  -4.485   7.785
  123   1HG   GLN  17          1HG       GLN  17  31.372  -2.814   9.582
  124   2HG   GLN  17          2HG       GLN  17  31.101  -4.407  10.289
  125   1HE2  GLN  17          2HE2      GLN  17  33.247  -5.224   9.916
  126   2HE2  GLN  17          1HE2      GLN  17  33.862  -5.494   8.358
  127    H    VAL  18           H        VAL  18  27.919  -2.568   6.213
  128    HA   VAL  18           HA       VAL  18  30.214  -2.122   4.412
  129    HB   VAL  18           HB       VAL  18  27.282  -2.607   3.858
  130   1HG1  VAL  18          1HG1      VAL  18  29.243  -1.486   2.182
  131   2HG1  VAL  18          2HG1      VAL  18  29.106  -3.172   1.682
  132   3HG1  VAL  18          3HG1      VAL  18  27.678  -2.136   1.691
  133   1HG2  VAL  18          1HG2      VAL  18  29.584  -4.332   4.397
  134   2HG2  VAL  18          2HG2      VAL  18  27.868  -4.735   4.366
  135   3HG2  VAL  18          3HG2      VAL  18  28.795  -4.714   2.866
  136    H    LEU  19           H        LEU  19  27.104  -0.524   5.198
  137    HA   LEU  19           HA       LEU  19  27.386   1.700   3.469
  138   1HB   LEU  19          1HB       LEU  19  25.570   0.959   5.404
  139   2HB   LEU  19          2HB       LEU  19  26.344   2.356   6.153
  140    HG   LEU  19           HG       LEU  19  25.862   2.943   3.386
  141   1HD1  LEU  19          1HD1      LEU  19  23.644   1.595   4.882
  142   2HD1  LEU  19          2HD1      LEU  19  23.245   2.955   3.833
  143   3HD1  LEU  19          3HD1      LEU  19  24.035   1.528   3.164
  144   1HD2  LEU  19          1HD2      LEU  19  24.941   3.974   6.066
  145   2HD2  LEU  19          2HD2      LEU  19  26.037   4.733   4.911
  146   3HD2  LEU  19          3HD2      LEU  19  24.308   4.665   4.572
  147    H    ALA  20           H        ALA  20  28.520   1.313   6.836
  148    HA   ALA  20           HA       ALA  20  29.820   3.819   7.089
  149   1HB   ALA  20          1HB       ALA  20  29.656   1.421   8.578
  150   2HB   ALA  20          2HB       ALA  20  31.376   1.711   8.317
  151   3HB   ALA  20          3HB       ALA  20  30.382   2.944   9.094
  152    H    ALA  21           H        ALA  21  31.168   0.683   6.089
  153    HA   ALA  21           HA       ALA  21  33.773   1.294   5.465
  154   1HB   ALA  21          1HB       ALA  21  31.864  -0.668   4.649
  155   2HB   ALA  21          2HB       ALA  21  32.708  -0.110   3.204
  156   3HB   ALA  21          3HB       ALA  21  33.623  -0.769   4.560
  157    H    VAL  22           H        VAL  22  31.021   1.776   3.302
  158    HA   VAL  22           HA       VAL  22  32.262   2.962   1.114
  159    HB   VAL  22           HB       VAL  22  29.569   3.407   2.400
  160   1HG1  VAL  22          1HG1      VAL  22  30.247   5.561   1.356
  161   2HG1  VAL  22          2HG1      VAL  22  30.569   4.712  -0.155
  162   3HG1  VAL  22          3HG1      VAL  22  28.925   4.795   0.476
  163   1HG2  VAL  22          1HG2      VAL  22  30.247   1.322   1.061
  164   2HG2  VAL  22          2HG2      VAL  22  28.777   2.146   0.540
  165   3HG2  VAL  22          3HG2      VAL  22  30.280   2.374  -0.354
  166    H    ILE  23           H        ILE  23  31.095   4.679   4.039
  167    HA   ILE  23           HA       ILE  23  32.076   7.243   3.177
  168    HB   ILE  23           HB       ILE  23  31.299   6.121   5.874
  169   1HG1  ILE  23          1HG1      ILE  23  29.831   8.422   4.992
  170   2HG1  ILE  23          2HG1      ILE  23  29.909   7.267   3.661
  171   1HG2  ILE  23          1HG2      ILE  23  32.379   8.856   5.165
  172   2HG2  ILE  23          2HG2      ILE  23  31.380   8.579   6.591
  173   3HG2  ILE  23          3HG2      ILE  23  32.936   7.764   6.433
  174   1HD1  ILE  23          1HD1      ILE  23  29.211   5.479   5.334
  175   2HD1  ILE  23          2HD1      ILE  23  28.868   6.791   6.462
  176   3HD1  ILE  23          3HD1      ILE  23  27.975   6.676   4.945
  177    H    PHE  24           H        PHE  24  33.582   4.573   4.919
  178    HA   PHE  24           HA       PHE  24  35.805   5.871   6.049
  179   1HB   PHE  24          1HB       PHE  24  35.073   3.278   5.827
  180   2HB   PHE  24          2HB       PHE  24  36.340   3.321   4.602
  181    HD1  PHE  24           HD1      PHE  24  37.795   5.703   6.151
  182    HD2  PHE  24           HD2      PHE  24  36.453   1.768   7.234
  183    HE1  PHE  24           HE1      PHE  24  39.521   5.602   7.928
  184    HE2  PHE  24           HE2      PHE  24  38.180   1.669   9.011
  185    HZ   PHE  24           HZ       PHE  24  39.714   3.586   9.358
  186    H    ILE  25           H        ILE  25  35.264   4.860   2.687
  187    HA   ILE  25           HA       ILE  25  37.908   5.680   1.803
  188    HB   ILE  25           HB       ILE  25  35.421   5.429   0.088
  189   1HG1  ILE  25          1HG1      ILE  25  35.627   3.413   1.475
  190   2HG1  ILE  25          2HG1      ILE  25  36.084   3.047  -0.189
  191   1HG2  ILE  25          1HG2      ILE  25  38.330   5.690  -0.349
  192   2HG2  ILE  25          2HG2      ILE  25  37.559   4.418  -1.296
  193   3HG2  ILE  25          3HG2      ILE  25  36.992   6.082  -1.428
  194   1HD1  ILE  25          1HD1      ILE  25  38.484   3.846   0.870
  195   2HD1  ILE  25          2HD1      ILE  25  37.735   3.051   2.255
  196   3HD1  ILE  25          3HD1      ILE  25  37.960   2.166   0.746
  197    H    TYR  26           H        TYR  26  34.654   7.184   1.696
  198    HA   TYR  26           HA       TYR  26  35.432   9.573   0.348
  199   1HB   TYR  26          1HB       TYR  26  33.081   9.118   0.698
  200   2HB   TYR  26          2HB       TYR  26  33.300   9.069   2.447
  201    HD1  TYR  26           HD1      TYR  26  34.001  11.178   3.664
  202    HD2  TYR  26           HD2      TYR  26  32.739  11.180  -0.442
  203    HE1  TYR  26           HE1      TYR  26  33.610  13.624   3.785
  204    HE2  TYR  26           HE2      TYR  26  32.347  13.626  -0.321
  205    HH   TYR  26           HH       TYR  26  31.852  15.322   1.479
  206    H    PHE  27           H        PHE  27  36.077   8.394   3.498
  207    HA   PHE  27           HA       PHE  27  36.832  11.018   4.601
  208   1HB   PHE  27          1HB       PHE  27  36.109   8.422   5.627
  209   2HB   PHE  27          2HB       PHE  27  37.683   8.890   6.271
  210    HD1  PHE  27           HD1      PHE  27  37.795  11.531   6.915
  211    HD2  PHE  27           HD2      PHE  27  34.251   9.105   6.851
  212    HE1  PHE  27           HE1      PHE  27  36.688  13.108   8.475
  213    HE2  PHE  27           HE2      PHE  27  33.143  10.682   8.411
  214    HZ   PHE  27           HZ       PHE  27  34.361  12.684   9.223
  215    H    ALA  28           H        ALA  28  38.240   8.109   3.298
  216    HA   ALA  28           HA       ALA  28  40.966   8.699   4.106
  217   1HB   ALA  28          1HB       ALA  28  39.671   6.708   2.251
  218   2HB   ALA  28          2HB       ALA  28  41.426   6.867   2.322
  219   3HB   ALA  28          3HB       ALA  28  40.523   6.410   3.766
  220    H    ALA  29           H        ALA  29  39.738   8.293   0.785
  221    HA   ALA  29           HA       ALA  29  41.850   9.984  -0.282
  222   1HB   ALA  29          1HB       ALA  29  39.378   8.828  -1.594
  223   2HB   ALA  29          2HB       ALA  29  40.733   9.570  -2.446
  224   3HB   ALA  29          3HB       ALA  29  40.971   8.072  -1.544
  225    H    LEU  30           H        LEU  30  38.306  10.297  -0.160
  226    HA   LEU  30           HA       LEU  30  38.372  13.014  -1.191
  227   1HB   LEU  30          1HB       LEU  30  36.304  11.090  -0.303
  228   2HB   LEU  30          2HB       LEU  30  35.886  12.794  -0.135
  229    HG   LEU  30           HG       LEU  30  37.171  12.090  -2.699
  230   1HD1  LEU  30          1HD1      LEU  30  34.772  10.675  -1.699
  231   2HD1  LEU  30          2HD1      LEU  30  34.604  11.389  -3.303
  232   3HD1  LEU  30          3HD1      LEU  30  35.889  10.224  -2.987
  233   1HD2  LEU  30          1HD2      LEU  30  34.733  13.661  -1.813
  234   2HD2  LEU  30          2HD2      LEU  30  36.287  14.311  -2.335
  235   3HD2  LEU  30          3HD2      LEU  30  35.231  13.510  -3.498
  236    H    SER  31           H        SER  31  39.693  12.264   1.562
  237    HA   SER  31           HA       SER  31  38.185  13.720   3.527
  238   1HB   SER  31          1HB       SER  31  40.531  12.182   3.529
  239   2HB   SER  31          2HB       SER  31  41.035  13.790   4.040
  240    HG   SER  31           HG       SER  31  38.857  13.447   5.326
  241    HA   PRO  32           HA       PRO  32  40.958  17.447   2.280
  242   1HB   PRO  32          1HB       PRO  32  43.072  16.972   0.624
  243   2HB   PRO  32          2HB       PRO  32  43.138  16.701   2.373
  244   1HG   PRO  32          1HG       PRO  32  43.177  14.744   0.221
  245   2HG   PRO  32          2HG       PRO  32  43.501  14.512   1.946
  246   1HD   PRO  32          1HD       PRO  32  41.042  13.973   0.450
  247   2HD   PRO  32          2HD       PRO  32  41.484  13.459   2.087
  248    H    ALA  33           H        ALA  33  39.829  15.285  -0.125
  249    HA   ALA  33           HA       ALA  33  40.178  16.948  -2.460
  250   1HB   ALA  33          1HB       ALA  33  38.192  14.738  -1.866
  251   2HB   ALA  33          2HB       ALA  33  38.452  15.451  -3.457
  252   3HB   ALA  33          3HB       ALA  33  39.751  14.554  -2.670
  253    H    ILE  34           H        ILE  34  37.931  16.948   0.162
  254    HA   ILE  34           HA       ILE  34  35.556  17.944  -0.686
  255    HB   ILE  34           HB       ILE  34  35.839  19.717   1.254
  256   1HG1  ILE  34          1HG1      ILE  34  37.875  17.962   2.398
  257   2HG1  ILE  34          2HG1      ILE  34  38.475  18.829   0.986
  258   1HG2  ILE  34          1HG2      ILE  34  35.882  16.703   1.535
  259   2HG2  ILE  34          2HG2      ILE  34  35.594  17.785   2.898
  260   3HG2  ILE  34          3HG2      ILE  34  34.475  17.765   1.534
  261   1HD1  ILE  34          1HD1      ILE  34  36.876  20.526   2.757
  262   2HD1  ILE  34          2HD1      ILE  34  38.305  19.865   3.551
  263   3HD1  ILE  34          3HD1      ILE  34  38.476  20.812   2.073
  264    H    THR  35           H        THR  35  38.473  20.022  -0.433
  265    HA   THR  35           HA       THR  35  37.078  22.207  -1.790
  266    HB   THR  35           HB       THR  35  39.395  23.270  -1.710
  267    HG1  THR  35           HG1      THR  35  40.036  21.235   0.097
  268   1HG2  THR  35          1HG2      THR  35  37.435  23.059   0.185
  269   2HG2  THR  35          2HG2      THR  35  38.839  22.461   1.070
  270   3HG2  THR  35          3HG2      THR  35  38.871  24.070   0.350
  271    H    PHE  36           H        PHE  36  39.748  19.987  -2.560
  272    HA   PHE  36           HA       PHE  36  39.812  20.945  -5.338
  273   1HB   PHE  36          1HB       PHE  36  41.275  18.537  -4.261
  274   2HB   PHE  36          2HB       PHE  36  41.732  19.587  -5.603
  275    HD1  PHE  36           HD1      PHE  36  41.060  22.240  -4.235
  276    HD2  PHE  36           HD2      PHE  36  43.250  18.789  -2.916
  277    HE1  PHE  36           HE1      PHE  36  42.364  23.664  -2.678
  278    HE2  PHE  36           HE2      PHE  36  44.556  20.211  -1.359
  279    HZ   PHE  36           HZ       PHE  36  44.112  22.649  -1.240
  280    H    GLY  37           H        GLY  37  37.374  20.193  -5.355
  281   1HA   GLY  37          1HA       GLY  37  37.096  17.283  -5.805
  282   2HA   GLY  37          2HA       GLY  37  35.777  18.455  -5.785
  283    H    GLY  38           H        GLY  38  36.024  16.546  -7.852
  284   1HA   GLY  38          1HA       GLY  38  35.513  17.863 -10.177
  285   2HA   GLY  38          2HA       GLY  38  37.277  17.876 -10.154
  286    H    LEU  39           H        LEU  39  37.938  15.426  -9.173
  287    HA   LEU  39           HA       LEU  39  37.061  13.655 -11.369
  288   1HB   LEU  39          1HB       LEU  39  38.893  12.208 -10.657
  289   2HB   LEU  39          2HB       LEU  39  39.480  13.867 -10.774
  290    HG   LEU  39           HG       LEU  39  38.368  13.074  -8.139
  291   1HD1  LEU  39          1HD1      LEU  39  39.803  11.114  -9.115
  292   2HD1  LEU  39          2HD1      LEU  39  41.164  12.195  -8.812
  293   3HD1  LEU  39          3HD1      LEU  39  40.130  11.683  -7.478
  294   1HD2  LEU  39          1HD2      LEU  39  39.973  15.117  -9.250
  295   2HD2  LEU  39          2HD2      LEU  39  39.545  14.904  -7.553
  296   3HD2  LEU  39          3HD2      LEU  39  41.033  14.197  -8.182
  297    H    LEU  40           H        LEU  40  36.151  11.552 -10.964
  298    HA   LEU  40           HA       LEU  40  34.673  11.425  -8.385
  299   1HB   LEU  40          1HB       LEU  40  33.541  11.219 -10.707
  300   2HB   LEU  40          2HB       LEU  40  34.241   9.600 -10.747
  301    HG   LEU  40           HG       LEU  40  33.145   9.741  -8.207
  302   1HD1  LEU  40          1HD1      LEU  40  31.748  11.588 -10.020
  303   2HD1  LEU  40          2HD1      LEU  40  30.689  10.393  -9.272
  304   3HD1  LEU  40          3HD1      LEU  40  31.665  11.460  -8.263
  305   1HD2  LEU  40          1HD2      LEU  40  32.388   8.528 -10.831
  306   2HD2  LEU  40          2HD2      LEU  40  32.799   7.740  -9.307
  307   3HD2  LEU  40          3HD2      LEU  40  31.202   8.455  -9.527
  308    H    GLY  41           H        GLY  41  37.271   9.944 -10.101
  309   1HA   GLY  41          1HA       GLY  41  38.460   8.530  -8.124
  310   2HA   GLY  41          2HA       GLY  41  37.137   7.443  -8.550
  311    H    GLU  42           H        GLU  42  37.222   6.328 -10.527
  312    HA   GLU  42           HA       GLU  42  39.886   6.244 -11.783
  313   1HB   GLU  42          1HB       GLU  42  39.086   4.229 -12.886
  314   2HB   GLU  42          2HB       GLU  42  38.646   4.146 -11.180
  315   1HG   GLU  42          1HG       GLU  42  36.477   3.962 -11.740
  316   2HG   GLU  42          2HG       GLU  42  36.555   5.516 -12.569
  317    H    LYS  43           H        LYS  43  37.818   8.476 -12.164
  318    HA   LYS  43           HA       LYS  43  37.101   9.834 -13.938
  319   1HB   LYS  43          1HB       LYS  43  39.055   8.224 -15.601
  320   2HB   LYS  43          2HB       LYS  43  38.493   9.869 -15.901
  321   1HG   LYS  43          1HG       LYS  43  39.478  10.352 -13.518
  322   2HG   LYS  43          2HG       LYS  43  40.404   8.879 -13.805
  323   1HD   LYS  43          1HD       LYS  43  41.787   9.931 -15.242
  324   2HD   LYS  43          2HD       LYS  43  40.432  10.620 -16.137
  325   1HE   LYS  43          1HE       LYS  43  40.373  12.546 -14.835
  326   2HE   LYS  43          2HE       LYS  43  41.116  11.753 -13.447
  327   1HZ   LYS  43          1HZ       LYS  43  42.878  11.680 -15.649
  328   2HZ   LYS  43          2HZ       LYS  43  42.370  13.281 -15.391
  329   3HZ   LYS  43          3HZ       LYS  43  43.102  12.405 -14.132
  Start of MODEL   20
    1   1H    ACE   1           HA1      ACE   1  27.274  -9.200  19.103
    2   2H    ACE   1           HA2      ACE   1  26.829  -7.637  18.417
    3   3H    ACE   1           HA3      ACE   1  28.426  -8.315  18.103
    4    H    ARG   2           H        ARG   2  25.675  -7.708  16.541
    5    HA   ARG   2           HA       ARG   2  26.157  -9.853  14.582
    6   1HB   ARG   2          1HB       ARG   2  24.100 -10.138  16.508
    7   2HB   ARG   2          2HB       ARG   2  23.305  -9.706  14.993
    8   1HG   ARG   2          1HG       ARG   2  24.449 -11.521  13.828
    9   2HG   ARG   2          2HG       ARG   2  25.356 -11.919  15.287
   10   1HD   ARG   2          1HD       ARG   2  23.674 -13.394  15.680
   11   2HD   ARG   2          2HD       ARG   2  22.774 -11.974  16.213
   12    HE   ARG   2           HE       ARG   2  22.487 -12.236  13.383
   13   1HH1  ARG   2          1HH1      ARG   2  21.005 -12.751  16.358
   14   2HH1  ARG   2          2HH1      ARG   2  19.791 -13.833  15.761
   15   1HH2  ARG   2          1HH2      ARG   2  21.183 -14.068  12.594
   16   2HH2  ARG   2          2HH2      ARG   2  19.897 -14.587  13.632
   17    H    TYR   3           H        TYR   3  26.817  -7.597  13.703
   18    HA   TYR   3           HA       TYR   3  26.382  -5.863  12.181
   19   1HB   TYR   3          1HB       TYR   3  23.884  -7.524  11.728
   20   2HB   TYR   3          2HB       TYR   3  24.403  -6.188  10.700
   21    HD1  TYR   3           HD1      TYR   3  25.384  -9.542  11.981
   22    HD2  TYR   3           HD2      TYR   3  26.124  -6.464   9.079
   23    HE1  TYR   3           HE1      TYR   3  26.896 -11.072  10.747
   24    HE2  TYR   3           HE2      TYR   3  27.637  -7.994   7.842
   25    HH   TYR   3           HH       TYR   3  27.664 -11.117   8.052
   26    HA   PRO   4           HA       PRO   4  23.658  -3.650  15.152
   27   1HB   PRO   4          1HB       PRO   4  25.573  -1.900  15.982
   28   2HB   PRO   4          2HB       PRO   4  25.344  -3.500  16.706
   29   1HG   PRO   4          1HG       PRO   4  27.525  -2.531  15.013
   30   2HG   PRO   4          2HG       PRO   4  27.461  -3.960  16.055
   31   1HD   PRO   4          1HD       PRO   4  27.129  -3.826  13.189
   32   2HD   PRO   4          2HD       PRO   4  27.150  -5.261  14.227
   33    H    TYR   5           H        TYR   5  26.237  -1.552  13.883
   34    HA   TYR   5           HA       TYR   5  24.240   0.357  12.935
   35   1HB   TYR   5          1HB       TYR   5  27.247   0.396  12.569
   36   2HB   TYR   5          2HB       TYR   5  26.147   1.763  12.379
   37    HD1  TYR   5           HD1      TYR   5  24.836   2.577  14.393
   38    HD2  TYR   5           HD2      TYR   5  28.061  -0.242  14.710
   39    HE1  TYR   5           HE1      TYR   5  25.013   3.054  16.820
   40    HE2  TYR   5           HE2      TYR   5  28.239   0.235  17.137
   41    HH   TYR   5           HH       TYR   5  26.518   2.865  18.623
   42    H    TYR   6           H        TYR   6  26.478  -1.963  11.466
   43    HA   TYR   6           HA       TYR   6  26.505  -1.234   8.803
   44   1HB   TYR   6          1HB       TYR   6  26.709  -3.719  10.268
   45   2HB   TYR   6          2HB       TYR   6  25.864  -3.976   8.741
   46    HD1  TYR   6           HD1      TYR   6  27.002  -2.247   6.821
   47    HD2  TYR   6           HD2      TYR   6  28.977  -4.215  10.089
   48    HE1  TYR   6           HE1      TYR   6  29.156  -2.114   5.601
   49    HE2  TYR   6           HE2      TYR   6  31.132  -4.081   8.868
   50    HH   TYR   6           HH       TYR   6  31.869  -2.157   6.649
   51    H    LEU   7           H        LEU   7  23.793  -2.648  10.571
   52    HA   LEU   7           HA       LEU   7  22.077  -3.166   8.370
   53   1HB   LEU   7          1HB       LEU   7  21.820  -3.639  10.961
   54   2HB   LEU   7          2HB       LEU   7  20.944  -2.108  10.934
   55    HG   LEU   7           HG       LEU   7  20.122  -3.740   8.701
   56   1HD1  LEU   7          1HD1      LEU   7  20.153  -5.017  11.436
   57   2HD1  LEU   7          2HD1      LEU   7  18.929  -5.446  10.240
   58   3HD1  LEU   7          3HD1      LEU   7  20.636  -5.720   9.892
   59   1HD2  LEU   7          1HD2      LEU   7  19.022  -2.115  10.868
   60   2HD2  LEU   7          2HD2      LEU   7  18.391  -2.383   9.243
   61   3HD2  LEU   7          3HD2      LEU   7  18.026  -3.531  10.531
   62    H    SER   8           H        SER   8  22.336  -0.205  10.373
   63    HA   SER   8           HA       SER   8  20.349   1.284   8.976
   64   1HB   SER   8          1HB       SER   8  21.155   2.085  11.103
   65   2HB   SER   8          2HB       SER   8  22.808   2.179  10.502
   66    HG   SER   8           HG       SER   8  22.327   4.108   9.850
   67    H    ASP   9           H        ASP   9  23.395   0.231   7.910
   68    HA   ASP   9           HA       ASP   9  23.863   2.468   6.078
   69   1HB   ASP   9          1HB       ASP   9  25.248  -0.085   6.764
   70   2HB   ASP   9          2HB       ASP   9  25.582   0.638   5.191
   71    H    ILE  10           H        ILE  10  22.546  -0.812   5.923
   72    HA   ILE  10           HA       ILE  10  22.478  -1.029   3.070
   73    HB   ILE  10           HB       ILE  10  20.622  -2.286   5.112
   74   1HG1  ILE  10          1HG1      ILE  10  23.037  -2.745   5.497
   75   2HG1  ILE  10          2HG1      ILE  10  22.165  -4.193   4.992
   76   1HG2  ILE  10          1HG2      ILE  10  21.106  -2.701   2.172
   77   2HG2  ILE  10          2HG2      ILE  10  20.630  -4.068   3.180
   78   3HG2  ILE  10          3HG2      ILE  10  19.578  -2.659   3.051
   79   1HD1  ILE  10          1HD1      ILE  10  23.100  -2.752   2.671
   80   2HD1  ILE  10          2HD1      ILE  10  24.446  -3.060   3.768
   81   3HD1  ILE  10          3HD1      ILE  10  23.470  -4.403   3.170
   82    H    THR  11           H        THR  11  20.112   0.289   5.383
   83    HA   THR  11           HA       THR  11  17.991   0.678   3.522
   84    HB   THR  11           HB       THR  11  17.841   0.914   6.035
   85    HG1  THR  11           HG1      THR  11  16.594   3.050   5.702
   86   1HG2  THR  11          1HG2      THR  11  19.912   2.378   6.152
   87   2HG2  THR  11          2HG2      THR  11  18.917   3.694   5.528
   88   3HG2  THR  11          3HG2      THR  11  18.528   2.955   7.082
   89    H    ASP  12           H        ASP  12  20.606   2.928   4.500
   90    HA   ASP  12           HA       ASP  12  19.757   4.860   2.470
   91   1HB   ASP  12          1HB       ASP  12  21.573   6.223   3.248
   92   2HB   ASP  12          2HB       ASP  12  20.860   5.477   4.680
   93    H    ALA  13           H        ALA  13  21.260   1.949   2.277
   94    HA   ALA  13           HA       ALA  13  23.184   2.763   0.178
   95   1HB   ALA  13          1HB       ALA  13  22.695   0.065   1.476
   96   2HB   ALA  13          2HB       ALA  13  23.956   0.413   0.293
   97   3HB   ALA  13          3HB       ALA  13  24.001   1.178   1.881
   98    H    PHE  14           H        PHE  14  20.375   3.022  -0.323
   99    HA   PHE  14           HA       PHE  14  19.568   0.712  -1.929
  100   1HB   PHE  14          1HB       PHE  14  17.487   1.729  -2.077
  101   2HB   PHE  14          2HB       PHE  14  18.085   2.436  -0.580
  102    HD1  PHE  14           HD1      PHE  14  19.160   4.737  -0.643
  103    HD2  PHE  14           HD2      PHE  14  17.028   3.076  -3.983
  104    HE1  PHE  14           HE1      PHE  14  18.935   7.002  -1.627
  105    HE2  PHE  14           HE2      PHE  14  16.802   5.341  -4.966
  106    HZ   PHE  14           HZ       PHE  14  17.755   7.304  -3.788
  107    H    SER  15           H        SER  15  21.982   2.565  -2.562
  108    HA   SER  15           HA       SER  15  21.261   3.089  -5.401
  109   1HB   SER  15          1HB       SER  15  22.337   4.851  -3.486
  110   2HB   SER  15          2HB       SER  15  23.686   4.417  -4.533
  111    HG   SER  15           HG       SER  15  22.030   4.830  -6.279
  112    HA   PRO  16           HA       PRO  16  24.341  -0.308  -5.533
  113   1HB   PRO  16          1HB       PRO  16  23.027  -1.708  -7.469
  114   2HB   PRO  16          2HB       PRO  16  22.653  -1.858  -5.744
  115   1HG   PRO  16          1HG       PRO  16  21.115  -0.548  -7.885
  116   2HG   PRO  16          2HG       PRO  16  20.567  -1.177  -6.323
  117   1HD   PRO  16          1HD       PRO  16  21.063   1.544  -7.000
  118   2HD   PRO  16          2HD       PRO  16  20.656   0.893  -5.405
  119    H    GLN  17           H        GLN  17  22.637   1.106  -8.339
  120    HA   GLN  17           HA       GLN  17  24.901   0.714 -10.119
  121   1HB   GLN  17          1HB       GLN  17  22.560   0.885 -10.942
  122   2HB   GLN  17          2HB       GLN  17  22.510   2.564 -10.405
  123   1HG   GLN  17          1HG       GLN  17  23.425   3.188 -12.362
  124   2HG   GLN  17          2HG       GLN  17  24.872   2.266 -11.951
  125   1HE2  GLN  17          2HE2      GLN  17  24.278  -0.329 -12.205
  126   2HE2  GLN  17          1HE2      GLN  17  23.608  -0.704 -13.719
  127    H    VAL  18           H        VAL  18  23.859   3.179  -7.896
  128    HA   VAL  18           HA       VAL  18  25.740   5.176  -8.969
  129    HB   VAL  18           HB       VAL  18  23.888   5.165  -6.585
  130   1HG1  VAL  18          1HG1      VAL  18  25.930   6.545  -6.193
  131   2HG1  VAL  18          2HG1      VAL  18  25.579   7.434  -7.675
  132   3HG1  VAL  18          3HG1      VAL  18  24.469   7.527  -6.308
  133   1HG2  VAL  18          1HG2      VAL  18  23.807   6.285  -9.375
  134   2HG2  VAL  18          2HG2      VAL  18  22.554   5.409  -8.496
  135   3HG2  VAL  18          3HG2      VAL  18  22.911   7.087  -8.085
  136    H    LEU  19           H        LEU  19  25.599   2.774  -6.429
  137    HA   LEU  19           HA       LEU  19  27.778   3.834  -4.845
  138   1HB   LEU  19          1HB       LEU  19  26.155   1.403  -4.910
  139   2HB   LEU  19          2HB       LEU  19  27.846   1.052  -4.562
  140    HG   LEU  19           HG       LEU  19  26.457   3.304  -3.132
  141   1HD1  LEU  19          1HD1      LEU  19  25.520   0.673  -3.056
  142   2HD1  LEU  19          2HD1      LEU  19  26.553   0.805  -1.632
  143   3HD1  LEU  19          3HD1      LEU  19  25.208   1.924  -1.853
  144   1HD2  LEU  19          1HD2      LEU  19  29.040   2.192  -3.138
  145   2HD2  LEU  19          2HD2      LEU  19  28.395   3.348  -1.973
  146   3HD2  LEU  19          3HD2      LEU  19  28.296   1.618  -1.646
  147    H    ALA  20           H        ALA  20  27.619   1.203  -7.248
  148    HA   ALA  20           HA       ALA  20  30.392   0.676  -7.429
  149   1HB   ALA  20          1HB       ALA  20  28.202   0.549  -9.522
  150   2HB   ALA  20          2HB       ALA  20  29.828  -0.083  -9.780
  151   3HB   ALA  20          3HB       ALA  20  28.799  -0.779  -8.528
  152    H    ALA  21           H        ALA  21  28.377   2.883  -9.334
  153    HA   ALA  21           HA       ALA  21  30.300   3.989 -11.041
  154   1HB   ALA  21          1HB       ALA  21  27.871   4.522 -11.098
  155   2HB   ALA  21          2HB       ALA  21  28.058   5.460  -9.617
  156   3HB   ALA  21          3HB       ALA  21  28.856   5.984 -11.100
  157    H    VAL  22           H        VAL  22  29.354   5.255  -7.865
  158    HA   VAL  22           HA       VAL  22  31.202   7.351  -7.649
  159    HB   VAL  22           HB       VAL  22  30.078   5.523  -5.509
  160   1HG1  VAL  22          1HG1      VAL  22  32.017   7.764  -5.376
  161   2HG1  VAL  22          2HG1      VAL  22  30.687   7.837  -4.221
  162   3HG1  VAL  22          3HG1      VAL  22  31.754   6.434  -4.249
  163   1HG2  VAL  22          1HG2      VAL  22  29.026   7.688  -7.081
  164   2HG2  VAL  22          2HG2      VAL  22  28.216   6.751  -5.825
  165   3HG2  VAL  22          3HG2      VAL  22  29.121   8.203  -5.397
  166    H    ILE  23           H        ILE  23  31.675   3.913  -6.855
  167    HA   ILE  23           HA       ILE  23  34.390   4.354  -5.884
  168    HB   ILE  23           HB       ILE  23  32.952   1.821  -6.713
  169   1HG1  ILE  23          1HG1      ILE  23  33.462   2.253  -3.867
  170   2HG1  ILE  23          2HG1      ILE  23  32.457   3.528  -4.557
  171   1HG2  ILE  23          1HG2      ILE  23  35.685   2.384  -5.792
  172   2HG2  ILE  23          2HG2      ILE  23  34.858   1.168  -4.819
  173   3HG2  ILE  23          3HG2      ILE  23  35.035   0.935  -6.558
  174   1HD1  ILE  23          1HD1      ILE  23  31.178   1.513  -5.675
  175   2HD1  ILE  23          2HD1      ILE  23  31.909   0.583  -4.367
  176   3HD1  ILE  23          3HD1      ILE  23  30.846   1.940  -3.996
  177    H    PHE  24           H        PHE  24  32.947   3.843  -8.972
  178    HA   PHE  24           HA       PHE  24  35.166   2.652 -10.333
  179   1HB   PHE  24          1HB       PHE  24  32.606   3.709 -11.028
  180   2HB   PHE  24          2HB       PHE  24  33.796   4.505 -12.057
  181    HD1  PHE  24           HD1      PHE  24  32.392   1.239 -11.027
  182    HD2  PHE  24           HD2      PHE  24  35.045   3.277 -13.720
  183    HE1  PHE  24           HE1      PHE  24  32.559  -0.810 -12.413
  184    HE2  PHE  24           HE2      PHE  24  35.211   1.229 -15.107
  185    HZ   PHE  24           HZ       PHE  24  33.969  -0.815 -14.453
  186    H    ILE  25           H        ILE  25  34.238   6.072  -9.863
  187    HA   ILE  25           HA       ILE  25  36.627   7.080 -11.178
  188    HB   ILE  25           HB       ILE  25  34.693   8.425  -9.254
  189   1HG1  ILE  25          1HG1      ILE  25  34.331   9.529 -11.741
  190   2HG1  ILE  25          2HG1      ILE  25  34.686   7.850 -12.152
  191   1HG2  ILE  25          1HG2      ILE  25  36.861   9.564 -11.044
  192   2HG2  ILE  25          2HG2      ILE  25  35.662  10.529 -10.184
  193   3HG2  ILE  25          3HG2      ILE  25  36.845   9.583  -9.281
  194   1HD1  ILE  25          1HD1      ILE  25  32.716   8.486  -9.968
  195   2HD1  ILE  25          2HD1      ILE  25  32.211   8.523 -11.657
  196   3HD1  ILE  25          3HD1      ILE  25  32.841   7.032 -10.958
  197    H    TYR  26           H        TYR  26  35.726   6.280  -7.827
  198    HA   TYR  26           HA       TYR  26  38.050   7.483  -6.618
  199   1HB   TYR  26          1HB       TYR  26  35.950   5.551  -5.811
  200   2HB   TYR  26          2HB       TYR  26  37.490   5.379  -4.969
  201    HD1  TYR  26           HD1      TYR  26  35.426   8.257  -6.228
  202    HD2  TYR  26           HD2      TYR  26  37.570   6.512  -2.940
  203    HE1  TYR  26           HE1      TYR  26  34.885  10.230  -4.827
  204    HE2  TYR  26           HE2      TYR  26  37.029   8.486  -1.540
  205    HH   TYR  26           HH       TYR  26  35.438  11.322  -2.899
  206    H    PHE  27           H        PHE  27  37.435   4.548  -8.338
  207    HA   PHE  27           HA       PHE  27  39.877   3.164  -7.582
  208   1HB   PHE  27          1HB       PHE  27  37.789   2.050  -8.465
  209   2HB   PHE  27          2HB       PHE  27  38.121   2.789 -10.031
  210    HD1  PHE  27           HD1      PHE  27  40.454   2.368 -11.069
  211    HD2  PHE  27           HD2      PHE  27  38.794  -0.012  -7.901
  212    HE1  PHE  27           HE1      PHE  27  42.030   0.536 -11.620
  213    HE2  PHE  27           HE2      PHE  27  40.372  -1.845  -8.452
  214    HZ   PHE  27           HZ       PHE  27  41.990  -1.571 -10.313
  215    H    ALA  28           H        ALA  28  38.744   5.084 -10.311
  216    HA   ALA  28           HA       ALA  28  40.986   4.938 -12.010
  217   1HB   ALA  28          1HB       ALA  28  38.583   6.302 -11.982
  218   2HB   ALA  28          2HB       ALA  28  39.758   7.607 -11.827
  219   3HB   ALA  28          3HB       ALA  28  39.841   6.504 -13.201
  220    H    ALA  29           H        ALA  29  40.272   7.486  -9.609
  221    HA   ALA  29           HA       ALA  29  42.881   8.706  -9.835
  222   1HB   ALA  29          1HB       ALA  29  40.452   9.414  -8.716
  223   2HB   ALA  29          2HB       ALA  29  41.485   9.170  -7.308
  224   3HB   ALA  29          3HB       ALA  29  41.956  10.321  -8.558
  225    H    LEU  30           H        LEU  30  41.416   6.864  -7.130
  226    HA   LEU  30           HA       LEU  30  44.023   6.599  -5.844
  227   1HB   LEU  30          1HB       LEU  30  42.856   5.939  -3.986
  228   2HB   LEU  30          2HB       LEU  30  41.525   6.692  -4.849
  229    HG   LEU  30           HG       LEU  30  41.431   4.170  -5.890
  230   1HD1  LEU  30          1HD1      LEU  30  43.269   3.817  -3.926
  231   2HD1  LEU  30          2HD1      LEU  30  41.790   3.539  -3.008
  232   3HD1  LEU  30          3HD1      LEU  30  42.145   2.553  -4.427
  233   1HD2  LEU  30          1HD2      LEU  30  39.759   5.767  -4.529
  234   2HD2  LEU  30          2HD2      LEU  30  39.402   4.059  -4.788
  235   3HD2  LEU  30          3HD2      LEU  30  40.089   4.594  -3.254
  236    H    SER  31           H        SER  31  43.482   5.322  -8.548
  237    HA   SER  31           HA       SER  31  43.240   2.620  -8.656
  238   1HB   SER  31          1HB       SER  31  43.921   3.200 -10.725
  239   2HB   SER  31          2HB       SER  31  44.785   4.607 -10.115
  240    HG   SER  31           HG       SER  31  46.549   3.346  -9.726
  241    HA   PRO  32           HA       PRO  32  47.632   1.921  -6.780
  242   1HB   PRO  32          1HB       PRO  32  49.124   4.131  -6.202
  243   2HB   PRO  32          2HB       PRO  32  49.074   3.382  -7.806
  244   1HG   PRO  32          1HG       PRO  32  47.980   5.944  -6.938
  245   2HG   PRO  32          2HG       PRO  32  48.232   5.332  -8.580
  246   1HD   PRO  32          1HD       PRO  32  45.768   5.415  -7.039
  247   2HD   PRO  32          2HD       PRO  32  45.992   4.973  -8.741
  248    H    ALA  33           H        ALA  33  45.730   4.518  -5.388
  249    HA   ALA  33           HA       ALA  33  46.869   4.530  -2.770
  250   1HB   ALA  33          1HB       ALA  33  44.686   5.745  -4.085
  251   2HB   ALA  33          2HB       ALA  33  44.026   4.940  -2.661
  252   3HB   ALA  33          3HB       ALA  33  45.320   6.125  -2.484
  253    H    ILE  34           H        ILE  34  44.821   2.237  -4.364
  254    HA   ILE  34           HA       ILE  34  43.504   1.028  -2.183
  255    HB   ILE  34           HB       ILE  34  43.319   0.445  -4.685
  256   1HG1  ILE  34          1HG1      ILE  34  43.571  -2.076  -3.101
  257   2HG1  ILE  34          2HG1      ILE  34  42.467  -0.840  -2.496
  258   1HG2  ILE  34          1HG2      ILE  34  45.980  -0.245  -4.358
  259   2HG2  ILE  34          2HG2      ILE  34  45.163  -1.808  -4.316
  260   3HG2  ILE  34          3HG2      ILE  34  44.957  -0.742  -5.706
  261   1HD1  ILE  34          1HD1      ILE  34  42.370  -1.603  -5.398
  262   2HD1  ILE  34          2HD1      ILE  34  41.593  -2.643  -4.204
  263   3HD1  ILE  34          3HD1      ILE  34  41.088  -0.962  -4.371
  264    H    THR  35           H        THR  35  46.885   0.960  -3.051
  265    HA   THR  35           HA       THR  35  47.579  -1.360  -1.456
  266    HB   THR  35           HB       THR  35  49.795   0.430  -1.623
  267    HG1  THR  35           HG1      THR  35  49.359   1.502  -3.351
  268   1HG2  THR  35          1HG2      THR  35  49.527  -2.159  -1.843
  269   2HG2  THR  35          2HG2      THR  35  49.270  -1.813  -3.553
  270   3HG2  THR  35          3HG2      THR  35  50.783  -1.348  -2.777
  271    H    PHE  36           H        PHE  36  47.388   2.109  -0.863
  272    HA   PHE  36           HA       PHE  36  48.709   2.505   1.505
  273   1HB   PHE  36          1HB       PHE  36  47.431   4.309   0.583
  274   2HB   PHE  36          2HB       PHE  36  45.924   3.410   0.743
  275    HD1  PHE  36           HD1      PHE  36  48.786   4.625   2.845
  276    HD2  PHE  36           HD2      PHE  36  44.573   3.817   2.607
  277    HE1  PHE  36           HE1      PHE  36  48.478   5.554   5.124
  278    HE2  PHE  36           HE2      PHE  36  44.267   4.746   4.887
  279    HZ   PHE  36           HZ       PHE  36  46.220   5.614   6.145
  280    H    GLY  37           H        GLY  37  45.421   1.089   1.290
  281   1HA   GLY  37          1HA       GLY  37  45.932  -0.106   3.987
  282   2HA   GLY  37          2HA       GLY  37  44.337   0.455   3.487
  283    H    GLY  38           H        GLY  38  46.712  -2.092   3.140
  284   1HA   GLY  38          1HA       GLY  38  44.586  -3.874   2.139
  285   2HA   GLY  38          2HA       GLY  38  45.977  -3.668   1.074
  286    H    LEU  39           H        LEU  39  45.851  -3.888   4.638
  287    HA   LEU  39           HA       LEU  39  48.076  -5.784   4.607
  288   1HB   LEU  39          1HB       LEU  39  46.962  -4.001   6.492
  289   2HB   LEU  39          2HB       LEU  39  46.732  -5.615   7.166
  290    HG   LEU  39           HG       LEU  39  49.344  -5.527   6.028
  291   1HD1  LEU  39          1HD1      LEU  39  48.931  -3.003   6.329
  292   2HD1  LEU  39          2HD1      LEU  39  48.955  -3.326   8.062
  293   3HD1  LEU  39          3HD1      LEU  39  50.381  -3.668   7.081
  294   1HD2  LEU  39          1HD2      LEU  39  48.199  -6.693   8.133
  295   2HD2  LEU  39          2HD2      LEU  39  49.935  -6.385   8.100
  296   3HD2  LEU  39          3HD2      LEU  39  48.862  -5.293   8.975
  297    H    LEU  40           H        LEU  40  47.628  -7.724   6.351
  298    HA   LEU  40           HA       LEU  40  46.070  -9.648   5.018
  299   1HB   LEU  40          1HB       LEU  40  47.177  -9.398   7.782
  300   2HB   LEU  40          2HB       LEU  40  45.977 -10.658   7.492
  301    HG   LEU  40           HG       LEU  40  48.242 -11.531   7.109
  302   1HD1  LEU  40          1HD1      LEU  40  46.077 -11.552   5.248
  303   2HD1  LEU  40          2HD1      LEU  40  47.579 -11.513   4.323
  304   3HD1  LEU  40          3HD1      LEU  40  47.302 -12.794   5.503
  305   1HD2  LEU  40          1HD2      LEU  40  48.934  -9.078   6.306
  306   2HD2  LEU  40          2HD2      LEU  40  49.804 -10.506   5.746
  307   3HD2  LEU  40          3HD2      LEU  40  48.577  -9.762   4.720
  308    H    GLY  41           H        GLY  41  45.167  -7.746   7.912
  309   1HA   GLY  41          1HA       GLY  41  42.330  -8.526   7.431
  310   2HA   GLY  41          2HA       GLY  41  42.957  -7.860   8.941
  311    H    GLU  42           H        GLU  42  42.027  -5.875   9.222
  312    HA   GLU  42           HA       GLU  42  41.319  -4.215   6.917
  313   1HB   GLU  42          1HB       GLU  42  41.083  -3.867   9.910
  314   2HB   GLU  42          2HB       GLU  42  40.683  -2.566   8.787
  315   1HG   GLU  42          1HG       GLU  42  39.284  -4.522   7.616
  316   2HG   GLU  42          2HG       GLU  42  39.282  -5.160   9.261
  317    H    LYS  43           H        LYS  43  43.856  -4.351   9.351
  318    HA   LYS  43           HA       LYS  43  45.729  -2.878   7.829
  319   1HB   LYS  43          1HB       LYS  43  43.846  -1.121   8.629
  320   2HB   LYS  43          2HB       LYS  43  44.888  -1.086  10.052
  321   1HG   LYS  43          1HG       LYS  43  46.689  -1.011   7.941
  322   2HG   LYS  43          2HG       LYS  43  45.361   0.006   7.380
  323   1HD   LYS  43          1HD       LYS  43  45.916   0.546  10.165
  324   2HD   LYS  43          2HD       LYS  43  47.388   0.715   9.208
  325   1HE   LYS  43          1HE       LYS  43  46.494   2.413   7.881
  326   2HE   LYS  43          2HE       LYS  43  44.830   1.921   8.198
  327   1HZ   LYS  43          1HZ       LYS  43  46.563   2.930  10.364
  328   2HZ   LYS  43          2HZ       LYS  43  45.710   3.998   9.359
  329   3HZ   LYS  43          3HZ       LYS  43  44.867   2.865  10.302
  Start of MODEL   21
    1   1H    ACE   1           HA1      ACE   1  20.412 -10.589 -10.158
    2   2H    ACE   1           HA2      ACE   1  18.957  -9.612  -9.957
    3   3H    ACE   1           HA3      ACE   1  19.068 -11.198  -9.193
    4    H    ARG   2           H        ARG   2  21.636  -8.758  -9.285
    5    HA   ARG   2           HA       ARG   2  21.143  -7.716  -6.648
    6   1HB   ARG   2          1HB       ARG   2  22.367 -10.290  -6.736
    7   2HB   ARG   2          2HB       ARG   2  23.602  -9.131  -6.244
    8   1HG   ARG   2          1HG       ARG   2  22.366  -8.422  -4.366
    9   2HG   ARG   2          2HG       ARG   2  20.858  -9.084  -4.999
   10   1HD   ARG   2          1HD       ARG   2  21.433 -11.278  -4.446
   11   2HD   ARG   2          2HD       ARG   2  23.161 -10.928  -4.435
   12    HE   ARG   2           HE       ARG   2  21.773  -9.462  -2.360
   13   1HH1  ARG   2          1HH1      ARG   2  24.358 -11.370  -2.699
   14   2HH1  ARG   2          2HH1      ARG   2  24.065 -12.410  -1.345
   15   1HH2  ARG   2          1HH2      ARG   2  20.820 -11.294  -0.850
   16   2HH2  ARG   2          2HH2      ARG   2  22.062 -12.369  -0.300
   17    H    TYR   3           H        TYR   3  21.756  -5.714  -7.446
   18    HA   TYR   3           HA       TYR   3  24.253  -5.406  -8.952
   19   1HB   TYR   3          1HB       TYR   3  21.998  -3.622  -8.118
   20   2HB   TYR   3          2HB       TYR   3  23.540  -2.876  -8.532
   21    HD1  TYR   3           HD1      TYR   3  24.657  -4.245 -10.704
   22    HD2  TYR   3           HD2      TYR   3  20.485  -3.626  -9.884
   23    HE1  TYR   3           HE1      TYR   3  24.139  -4.534 -13.113
   24    HE2  TYR   3           HE2      TYR   3  19.969  -3.915 -12.293
   25    HH   TYR   3           HH       TYR   3  20.794  -4.243 -14.321
   26    HA   PRO   4           HA       PRO   4  26.846  -4.197  -5.564
   27   1HB   PRO   4          1HB       PRO   4  28.370  -2.236  -6.690
   28   2HB   PRO   4          2HB       PRO   4  28.536  -3.953  -7.096
   29   1HG   PRO   4          1HG       PRO   4  27.385  -1.757  -8.683
   30   2HG   PRO   4          2HG       PRO   4  28.049  -3.309  -9.216
   31   1HD   PRO   4          1HD       PRO   4  25.306  -2.619  -8.952
   32   2HD   PRO   4          2HD       PRO   4  25.977  -4.211  -9.335
   33    H    TYR   5           H        TYR   5  26.503  -0.998  -7.109
   34    HA   TYR   5           HA       TYR   5  26.360   0.442  -4.686
   35   1HB   TYR   5          1HB       TYR   5  25.660   0.991  -7.519
   36   2HB   TYR   5          2HB       TYR   5  24.918   2.048  -6.317
   37    HD1  TYR   5           HD1      TYR   5  26.689   2.646  -4.305
   38    HD2  TYR   5           HD2      TYR   5  27.674   1.764  -8.392
   39    HE1  TYR   5           HE1      TYR   5  28.828   3.875  -4.056
   40    HE2  TYR   5           HE2      TYR   5  29.813   2.993  -8.142
   41    HH   TYR   5           HH       TYR   5  30.596   4.727  -5.144
   42    H    TYR   6           H        TYR   6  23.976  -1.530  -6.191
   43    HA   TYR   6           HA       TYR   6  21.655  -0.250  -4.988
   44   1HB   TYR   6          1HB       TYR   6  22.063  -2.177  -6.947
   45   2HB   TYR   6          2HB       TYR   6  21.378  -3.098  -5.608
   46    HD1  TYR   6           HD1      TYR   6  20.765   0.482  -6.462
   47    HD2  TYR   6           HD2      TYR   6  19.157  -3.500  -6.340
   48    HE1  TYR   6           HE1      TYR   6  18.516   1.373  -7.003
   49    HE2  TYR   6           HE2      TYR   6  16.907  -2.607  -6.882
   50    HH   TYR   6           HH       TYR   6  15.806  -0.026  -6.467
   51    H    LEU   7           H        LEU   7  23.709  -3.037  -4.189
   52    HA   LEU   7           HA       LEU   7  22.340  -4.158  -2.048
   53   1HB   LEU   7          1HB       LEU   7  25.270  -3.714  -2.563
   54   2HB   LEU   7          2HB       LEU   7  24.746  -4.435  -1.040
   55    HG   LEU   7           HG       LEU   7  23.956  -5.460  -3.782
   56   1HD1  LEU   7          1HD1      LEU   7  26.441  -5.678  -2.560
   57   2HD1  LEU   7          2HD1      LEU   7  25.627  -7.170  -2.090
   58   3HD1  LEU   7          3HD1      LEU   7  25.806  -6.763  -3.797
   59   1HD2  LEU   7          1HD2      LEU   7  23.094  -6.003  -1.040
   60   2HD2  LEU   7          2HD2      LEU   7  22.356  -6.498  -2.564
   61   3HD2  LEU   7          3HD2      LEU   7  23.660  -7.457  -1.864
   62    H    SER   8           H        SER   8  24.378  -1.238  -1.986
   63    HA   SER   8           HA       SER   8  24.312  -0.741   0.792
   64   1HB   SER   8          1HB       SER   8  24.210   1.309  -1.440
   65   2HB   SER   8          2HB       SER   8  24.707   1.615   0.222
   66    HG   SER   8           HG       SER   8  26.392   1.142  -1.440
   67    H    ASP   9           H        ASP   9  21.959   0.219  -1.712
   68    HA   ASP   9           HA       ASP   9  20.228   1.801  -0.214
   69   1HB   ASP   9          1HB       ASP   9  19.872  -0.086  -2.487
   70   2HB   ASP   9          2HB       ASP   9  18.410   0.407  -1.631
   71    H    ILE  10           H        ILE  10  20.255  -1.772  -0.342
   72    HA   ILE  10           HA       ILE  10  18.069  -2.066   1.517
   73    HB   ILE  10           HB       ILE  10  20.245  -3.951   0.588
   74   1HG1  ILE  10          1HG1      ILE  10  18.532  -3.315  -1.067
   75   2HG1  ILE  10          2HG1      ILE  10  18.343  -5.005  -0.598
   76   1HG2  ILE  10          1HG2      ILE  10  19.493  -4.511   2.908
   77   2HG2  ILE  10          2HG2      ILE  10  17.835  -4.597   2.313
   78   3HG2  ILE  10          3HG2      ILE  10  19.042  -5.740   1.727
   79   1HD1  ILE  10          1HD1      ILE  10  16.782  -3.774   1.274
   80   2HD1  ILE  10          2HD1      ILE  10  16.554  -2.703  -0.109
   81   3HD1  ILE  10          3HD1      ILE  10  16.169  -4.418  -0.250
   82    H    THR  11           H        THR  11  21.615  -2.390   1.927
   83    HA   THR  11           HA       THR  11  21.300  -2.598   4.833
   84    HB   THR  11           HB       THR  11  23.712  -2.825   4.884
   85    HG1  THR  11           HG1      THR  11  24.956  -2.190   3.256
   86   1HG2  THR  11          1HG2      THR  11  21.997  -4.474   3.405
   87   2HG2  THR  11          2HG2      THR  11  23.433  -4.296   2.397
   88   3HG2  THR  11          3HG2      THR  11  23.582  -4.910   4.043
   89    H    ASP  12           H        ASP  12  20.783  -0.068   2.976
   90    HA   ASP  12           HA       ASP  12  22.510   1.882   4.355
   91   1HB   ASP  12          1HB       ASP  12  22.173   2.347   2.029
   92   2HB   ASP  12          2HB       ASP  12  20.429   2.128   2.173
   93    H    ALA  13           H        ALA  13  19.174   0.769   4.336
   94    HA   ALA  13           HA       ALA  13  18.006   2.888   5.838
   95   1HB   ALA  13          1HB       ALA  13  17.346  -0.031   5.493
   96   2HB   ALA  13          2HB       ALA  13  16.415   0.973   6.605
   97   3HB   ALA  13          3HB       ALA  13  16.473   1.378   4.889
   98    H    PHE  14           H        PHE  14  19.523  -0.157   6.931
   99    HA   PHE  14           HA       PHE  14  19.192   0.578   9.742
  100   1HB   PHE  14          1HB       PHE  14  20.789  -1.654   8.452
  101   2HB   PHE  14          2HB       PHE  14  20.465  -1.496  10.178
  102    HD1  PHE  14           HD1      PHE  14  18.222  -1.860  11.086
  103    HD2  PHE  14           HD2      PHE  14  19.016  -2.261   6.883
  104    HE1  PHE  14           HE1      PHE  14  16.044  -3.007  10.783
  105    HE2  PHE  14           HE2      PHE  14  16.838  -3.409   6.581
  106    HZ   PHE  14           HZ       PHE  14  15.352  -3.781   8.531
  107    H    SER  15           H        SER  15  21.497   1.246   7.290
  108    HA   SER  15           HA       SER  15  23.299   2.368   9.366
  109   1HB   SER  15          1HB       SER  15  23.950   0.056   8.046
  110   2HB   SER  15          2HB       SER  15  24.687   1.275   7.009
  111    HG   SER  15           HG       SER  15  25.973   0.478   8.847
  112    HA   PRO  16           HA       PRO  16  22.611   5.526   6.096
  113   1HB   PRO  16          1HB       PRO  16  21.447   7.352   7.755
  114   2HB   PRO  16          2HB       PRO  16  20.532   6.073   6.937
  115   1HG   PRO  16          1HG       PRO  16  21.142   6.365   9.775
  116   2HG   PRO  16          2HG       PRO  16  19.982   5.287   8.984
  117   1HD   PRO  16          1HD       PRO  16  22.655   4.673   9.963
  118   2HD   PRO  16          2HD       PRO  16  21.408   3.565   9.367
  119    H    GLN  17           H        GLN  17  23.142   6.640   9.453
  120    HA   GLN  17           HA       GLN  17  25.019   8.664   8.771
  121   1HB   GLN  17          1HB       GLN  17  24.525   7.118  11.324
  122   2HB   GLN  17          2HB       GLN  17  25.725   8.408  11.223
  123   1HG   GLN  17          1HG       GLN  17  24.111   9.956  11.457
  124   2HG   GLN  17          2HG       GLN  17  23.286   9.331  10.030
  125   1HE2  GLN  17          2HE2      GLN  17  22.138  10.250  12.691
  126   2HE2  GLN  17          1HE2      GLN  17  21.217   8.935  13.241
  127    H    VAL  18           H        VAL  18  25.456   5.277   9.704
  128    HA   VAL  18           HA       VAL  18  28.335   5.312   9.704
  129    HB   VAL  18           HB       VAL  18  26.714   2.911   8.933
  130   1HG1  VAL  18          1HG1      VAL  18  29.349   3.522  10.138
  131   2HG1  VAL  18          2HG1      VAL  18  28.494   2.150  10.844
  132   3HG1  VAL  18          3HG1      VAL  18  28.866   2.165   9.120
  133   1HG2  VAL  18          1HG2      VAL  18  26.719   4.387  11.548
  134   2HG2  VAL  18          2HG2      VAL  18  25.375   3.601  10.719
  135   3HG2  VAL  18          3HG2      VAL  18  26.590   2.628  11.548
  136    H    LEU  19           H        LEU  19  25.924   5.173   7.194
  137    HA   LEU  19           HA       LEU  19  27.472   4.019   5.101
  138   1HB   LEU  19          1HB       LEU  19  24.944   4.927   5.214
  139   2HB   LEU  19          2HB       LEU  19  25.695   6.327   4.446
  140    HG   LEU  19           HG       LEU  19  26.301   3.571   3.416
  141   1HD1  LEU  19          1HD1      LEU  19  23.873   5.248   2.707
  142   2HD1  LEU  19          2HD1      LEU  19  24.398   3.805   1.839
  143   3HD1  LEU  19          3HD1      LEU  19  23.849   3.678   3.510
  144   1HD2  LEU  19          1HD2      LEU  19  27.158   6.112   2.766
  145   2HD2  LEU  19          2HD2      LEU  19  27.226   4.719   1.686
  146   3HD2  LEU  19          3HD2      LEU  19  25.869   5.842   1.593
  147    H    ALA  20           H        ALA  20  27.029   7.480   5.938
  148    HA   ALA  20           HA       ALA  20  28.884   8.561   4.102
  149   1HB   ALA  20          1HB       ALA  20  27.847   9.378   6.781
  150   2HB   ALA  20          2HB       ALA  20  29.280  10.212   6.180
  151   3HB   ALA  20          3HB       ALA  20  27.785  10.243   5.245
  152    H    ALA  21           H        ALA  21  29.459   7.572   7.467
  153    HA   ALA  21           HA       ALA  21  32.185   7.959   7.736
  154   1HB   ALA  21          1HB       ALA  21  30.346   5.764   8.671
  155   2HB   ALA  21          2HB       ALA  21  32.068   5.683   9.041
  156   3HB   ALA  21          3HB       ALA  21  31.105   7.044   9.616
  157    H    VAL  22           H        VAL  22  30.645   5.079   6.379
  158    HA   VAL  22           HA       VAL  22  32.814   3.533   5.662
  159    HB   VAL  22           HB       VAL  22  30.244   4.067   4.160
  160   1HG1  VAL  22          1HG1      VAL  22  32.651   2.693   3.250
  161   2HG1  VAL  22          2HG1      VAL  22  31.255   1.616   3.294
  162   3HG1  VAL  22          3HG1      VAL  22  31.191   3.105   2.351
  163   1HG2  VAL  22          1HG2      VAL  22  31.265   2.071   6.145
  164   2HG2  VAL  22          2HG2      VAL  22  29.688   2.856   6.057
  165   3HG2  VAL  22          3HG2      VAL  22  30.078   1.535   4.955
  166    H    ILE  23           H        ILE  23  31.497   6.259   3.752
  167    HA   ILE  23           HA       ILE  23  33.398   6.062   1.629
  168    HB   ILE  23           HB       ILE  23  31.808   8.399   2.722
  169   1HG1  ILE  23          1HG1      ILE  23  31.497   7.222  -0.011
  170   2HG1  ILE  23          2HG1      ILE  23  30.896   6.287   1.360
  171   1HG2  ILE  23          1HG2      ILE  23  33.917   9.201   1.667
  172   2HG2  ILE  23          2HG2      ILE  23  33.500   8.308   0.205
  173   3HG2  ILE  23          3HG2      ILE  23  32.491   9.655   0.733
  174   1HD1  ILE  23          1HD1      ILE  23  30.206   9.176   1.349
  175   2HD1  ILE  23          2HD1      ILE  23  29.420   8.185   0.119
  176   3HD1  ILE  23          3HD1      ILE  23  29.230   7.786   1.827
  177    H    PHE  24           H        PHE  24  33.471   7.928   4.670
  178    HA   PHE  24           HA       PHE  24  35.824   9.386   4.323
  179   1HB   PHE  24          1HB       PHE  24  34.248   9.060   6.427
  180   2HB   PHE  24          2HB       PHE  24  35.445   7.849   6.881
  181    HD1  PHE  24           HD1      PHE  24  35.568  11.269   5.315
  182    HD2  PHE  24           HD2      PHE  24  37.019   8.643   8.390
  183    HE1  PHE  24           HE1      PHE  24  37.080  13.057   6.131
  184    HE2  PHE  24           HE2      PHE  24  38.532  10.432   9.204
  185    HZ   PHE  24           HZ       PHE  24  38.561  12.639   8.075
  186    H    ILE  25           H        ILE  25  35.532   5.963   5.281
  187    HA   ILE  25           HA       ILE  25  38.391   5.532   5.406
  188    HB   ILE  25           HB       ILE  25  36.353   3.384   4.787
  189   1HG1  ILE  25          1HG1      ILE  25  35.342   4.609   6.590
  190   2HG1  ILE  25          2HG1      ILE  25  36.134   3.211   7.319
  191   1HG2  ILE  25          1HG2      ILE  25  38.902   3.449   6.435
  192   2HG2  ILE  25          2HG2      ILE  25  37.888   2.030   6.174
  193   3HG2  ILE  25          3HG2      ILE  25  38.743   2.763   4.817
  194   1HD1  ILE  25          1HD1      ILE  25  38.124   5.178   7.233
  195   2HD1  ILE  25          2HD1      ILE  25  36.668   6.042   7.726
  196   3HD1  ILE  25          3HD1      ILE  25  37.230   4.655   8.660
  197    H    TYR  26           H        TYR  26  35.922   5.023   2.863
  198    HA   TYR  26           HA       TYR  26  37.649   3.834   0.931
  199   1HB   TYR  26          1HB       TYR  26  35.013   4.450   0.960
  200   2HB   TYR  26          2HB       TYR  26  35.611   5.783  -0.028
  201    HD1  TYR  26           HD1      TYR  26  37.175   5.193  -2.001
  202    HD2  TYR  26           HD2      TYR  26  34.700   2.320   0.015
  203    HE1  TYR  26           HE1      TYR  26  37.363   3.667  -3.947
  204    HE2  TYR  26           HE2      TYR  26  34.887   0.793  -1.930
  205    HH   TYR  26           HH       TYR  26  37.154   1.300  -4.449
  206    H    PHE  27           H        PHE  27  37.489   6.992   2.224
  207    HA   PHE  27           HA       PHE  27  38.928   8.262  -0.008
  208   1HB   PHE  27          1HB       PHE  27  37.225   9.111   2.127
  209   2HB   PHE  27          2HB       PHE  27  38.789   9.898   2.342
  210    HD1  PHE  27           HD1      PHE  27  39.851  10.995   0.231
  211    HD2  PHE  27           HD2      PHE  27  35.700   9.938   0.548
  212    HE1  PHE  27           HE1      PHE  27  39.311  12.563  -1.613
  213    HE2  PHE  27           HE2      PHE  27  35.159  11.505  -1.296
  214    HZ   PHE  27           HZ       PHE  27  36.965  12.817  -2.377
  215    H    ALA  28           H        ALA  28  39.423   7.090   3.246
  216    HA   ALA  28           HA       ALA  28  42.063   8.176   3.633
  217   1HB   ALA  28          1HB       ALA  28  40.162   6.630   5.105
  218   2HB   ALA  28          2HB       ALA  28  41.706   5.781   5.148
  219   3HB   ALA  28          3HB       ALA  28  41.602   7.449   5.712
  220    H    ALA  29           H        ALA  29  41.086   4.768   3.150
  221    HA   ALA  29           HA       ALA  29  43.727   3.821   2.615
  222   1HB   ALA  29          1HB       ALA  29  41.457   2.587   3.178
  223   2HB   ALA  29          2HB       ALA  29  41.339   2.478   1.422
  224   3HB   ALA  29          3HB       ALA  29  42.720   1.769   2.259
  225    H    LEU  30           H        LEU  30  41.065   4.515   0.359
  226    HA   LEU  30           HA       LEU  30  42.187   3.775  -2.041
  227   1HB   LEU  30          1HB       LEU  30  39.933   4.829  -1.751
  228   2HB   LEU  30          2HB       LEU  30  40.726   6.399  -1.643
  229    HG   LEU  30           HG       LEU  30  39.823   5.660  -3.957
  230   1HD1  LEU  30          1HD1      LEU  30  42.026   7.217  -3.148
  231   2HD1  LEU  30          2HD1      LEU  30  42.591   6.277  -4.529
  232   3HD1  LEU  30          3HD1      LEU  30  41.167   7.307  -4.685
  233   1HD2  LEU  30          1HD2      LEU  30  40.865   3.348  -3.730
  234   2HD2  LEU  30          2HD2      LEU  30  41.210   4.179  -5.247
  235   3HD2  LEU  30          3HD2      LEU  30  42.432   4.118  -3.977
  236    H    SER  31           H        SER  31  43.356   6.371  -0.010
  237    HA   SER  31           HA       SER  31  44.858   7.580  -2.205
  238   1HB   SER  31          1HB       SER  31  44.159   8.373   0.438
  239   2HB   SER  31          2HB       SER  31  45.912   8.449   0.281
  240    HG   SER  31           HG       SER  31  45.669   9.768  -1.500
  241    HA   PRO  32           HA       PRO  32  48.601   5.421  -0.205
  242   1HB   PRO  32          1HB       PRO  32  48.462   4.600   2.394
  243   2HB   PRO  32          2HB       PRO  32  48.826   6.270   1.927
  244   1HG   PRO  32          1HG       PRO  32  46.442   5.211   3.219
  245   2HG   PRO  32          2HG       PRO  32  46.941   6.896   3.000
  246   1HD   PRO  32          1HD       PRO  32  45.023   5.344   1.448
  247   2HD   PRO  32          2HD       PRO  32  45.332   7.080   1.411
  248    H    ALA  33           H        ALA  33  45.916   4.006  -0.899
  249    HA   ALA  33           HA       ALA  33  46.107   1.376   0.315
  250   1HB   ALA  33          1HB       ALA  33  44.448   2.701  -1.739
  251   2HB   ALA  33          2HB       ALA  33  44.694   0.974  -1.992
  252   3HB   ALA  33          3HB       ALA  33  43.981   1.551  -0.486
  253    H    ILE  34           H        ILE  34  47.038   2.737  -2.844
  254    HA   ILE  34           HA       ILE  34  47.941   0.546  -4.238
  255    HB   ILE  34           HB       ILE  34  49.692   2.989  -3.913
  256   1HG1  ILE  34          1HG1      ILE  34  47.909   3.319  -6.092
  257   2HG1  ILE  34          2HG1      ILE  34  46.922   2.874  -4.700
  258   1HG2  ILE  34          1HG2      ILE  34  49.936   0.731  -5.482
  259   2HG2  ILE  34          2HG2      ILE  34  49.145   1.870  -6.572
  260   3HG2  ILE  34          3HG2      ILE  34  50.686   2.290  -5.824
  261   1HD1  ILE  34          1HD1      ILE  34  49.063   5.001  -4.535
  262   2HD1  ILE  34          2HD1      ILE  34  47.402   5.375  -4.994
  263   3HD1  ILE  34          3HD1      ILE  34  47.745   4.696  -3.403
  264    H    THR  35           H        THR  35  49.808   2.223  -1.698
  265    HA   THR  35           HA       THR  35  52.075   0.520  -1.756
  266    HB   THR  35           HB       THR  35  51.273   1.504   0.909
  267    HG1  THR  35           HG1      THR  35  51.316   3.627   0.337
  268   1HG2  THR  35          1HG2      THR  35  53.659   1.927  -0.911
  269   2HG2  THR  35          2HG2      THR  35  53.544   2.520   0.746
  270   3HG2  THR  35          3HG2      THR  35  53.552   0.785   0.429
  271    H    PHE  36           H        PHE  36  49.087   0.283   0.162
  272    HA   PHE  36           HA       PHE  36  49.866  -2.070   1.605
  273   1HB   PHE  36          1HB       PHE  36  47.383  -0.543   1.155
  274   2HB   PHE  36          2HB       PHE  36  47.132  -2.264   1.452
  275    HD1  PHE  36           HD1      PHE  36  49.441   0.410   2.743
  276    HD2  PHE  36           HD2      PHE  36  46.754  -2.808   3.677
  277    HE1  PHE  36           HE1      PHE  36  49.862   0.760   5.162
  278    HE2  PHE  36           HE2      PHE  36  47.174  -2.458   6.096
  279    HZ   PHE  36           HZ       PHE  36  48.729  -0.674   6.838
  280    H    GLY  37           H        GLY  37  49.213  -4.282   1.213
  281   1HA   GLY  37          1HA       GLY  37  48.433  -4.844  -1.618
  282   2HA   GLY  37          2HA       GLY  37  49.767  -5.713  -0.860
  283    H    GLY  38           H        GLY  38  47.151  -4.921   1.225
  284   1HA   GLY  38          1HA       GLY  38  46.534  -7.764   1.566
  285   2HA   GLY  38          2HA       GLY  38  45.833  -6.434   2.489
  286    H    LEU  39           H        LEU  39  44.639  -4.861   0.660
  287    HA   LEU  39           HA       LEU  39  42.292  -6.351  -0.074
  288   1HB   LEU  39          1HB       LEU  39  42.532  -3.819   0.423
  289   2HB   LEU  39          2HB       LEU  39  43.040  -3.681  -1.261
  290    HG   LEU  39           HG       LEU  39  40.723  -5.332  -1.214
  291   1HD1  LEU  39          1HD1      LEU  39  40.716  -3.555   0.983
  292   2HD1  LEU  39          2HD1      LEU  39  39.656  -2.835  -0.229
  293   3HD1  LEU  39          3HD1      LEU  39  39.349  -4.472   0.350
  294   1HD2  LEU  39          1HD2      LEU  39  41.808  -3.150  -2.623
  295   2HD2  LEU  39          2HD2      LEU  39  40.343  -4.046  -3.029
  296   3HD2  LEU  39          3HD2      LEU  39  40.241  -2.592  -2.037
  297    H    LEU  40           H        LEU  40  45.272  -5.634  -1.724
  298    HA   LEU  40           HA       LEU  40  44.103  -6.545  -4.308
  299   1HB   LEU  40          1HB       LEU  40  46.837  -5.362  -3.723
  300   2HB   LEU  40          2HB       LEU  40  46.192  -5.732  -5.320
  301    HG   LEU  40           HG       LEU  40  45.755  -3.438  -5.120
  302   1HD1  LEU  40          1HD1      LEU  40  43.660  -4.965  -5.454
  303   2HD1  LEU  40          2HD1      LEU  40  43.226  -4.436  -3.828
  304   3HD1  LEU  40          3HD1      LEU  40  43.418  -3.250  -5.120
  305   1HD2  LEU  40          1HD2      LEU  40  46.421  -3.451  -2.655
  306   2HD2  LEU  40          2HD2      LEU  40  45.147  -2.315  -3.097
  307   3HD2  LEU  40          3HD2      LEU  40  44.736  -3.832  -2.298
  308    H    GLY  41           H        GLY  41  45.447  -7.930  -1.654
  309   1HA   GLY  41          1HA       GLY  41  47.407  -9.682  -2.890
  310   2HA   GLY  41          2HA       GLY  41  46.713  -9.884  -1.281
  311    H    GLU  42           H        GLU  42  46.258 -10.577  -4.695
  312    HA   GLU  42           HA       GLU  42  43.797 -12.090  -4.241
  313   1HB   GLU  42          1HB       GLU  42  45.619 -11.764  -6.637
  314   2HB   GLU  42          2HB       GLU  42  44.179 -12.782  -6.657
  315   1HG   GLU  42          1HG       GLU  42  43.992  -9.924  -5.735
  316   2HG   GLU  42          2HG       GLU  42  43.970 -10.305  -7.458
  317    H    LYS  43           H        LYS  43  47.203 -12.706  -4.180
  318    HA   LYS  43           HA       LYS  43  47.420 -15.404  -4.843
  319   1HB   LYS  43          1HB       LYS  43  48.711 -13.850  -2.589
  320   2HB   LYS  43          2HB       LYS  43  49.164 -15.508  -2.988
  321   1HG   LYS  43          1HG       LYS  43  50.189 -14.904  -4.945
  322   2HG   LYS  43          2HG       LYS  43  49.051 -13.594  -5.258
  323   1HD   LYS  43          1HD       LYS  43  51.025 -13.412  -2.988
  324   2HD   LYS  43          2HD       LYS  43  51.489 -12.964  -4.629
  325   1HE   LYS  43          1HE       LYS  43  48.986 -11.745  -4.189
  326   2HE   LYS  43          2HE       LYS  43  49.920 -11.467  -2.718
  327   1HZ   LYS  43          1HZ       LYS  43  51.388 -11.109  -5.183
  328   2HZ   LYS  43          2HZ       LYS  43  50.130  -9.992  -4.940
  329   3HZ   LYS  43          3HZ       LYS  43  51.360 -10.148  -3.782