*HEADER    DE NOVO PROTEIN                         24-JUN-15   2N4N              
*TITLE     NMR STRUCTURE FOR A 3-STRANDED PARALLEL BETA-SHEET                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DESIGNED BETA SHEET;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630                                                
*KEYWDS    DE NOVO PROTEIN                                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    V.M.KUNG, G.CORNILESCU, S.H.GELLMAN                                   
*REVDAT   2   15-NOV-23 2N4N    1                                                
*REVDAT   1   28-OCT-15 2N4N    0                                                


!!VMK-II-070-3strand-NOEs-sq.tbl, edited VMKung 02/25/15

!intra-residue or sequential (Ha-HN) ROE's

assign (resid   0 and name HA#  ) (resid   1 and name HN  )  2.9  1.0  1.0
assign (resid   1 and name HA  ) (resid   1 and (name HB2 or name HB1  )) 2.7  1.0  1.0
assign (resid   1 and name HA  ) (resid   1 and name HN  )  2.9  1.0  1.0
assign (resid   1 and (name HB1 or name HB2  )) (resid   1 and name HN  )  2.6  0.9  0.9
assign (resid   1 and (name HB2 or name HB1  )) (resid   1 and name HN  )  3.1  1.1  1.1
assign (resid   1 and name HA  ) (resid   2 and name HN  )  2.5  0.9  0.9
assign (resid   2 and name HA  ) (resid   2 and name HN  )  2.8  1.0  1.0
assign (resid   2 and name HB#  ) (resid   2 and name HD#  )  2.5  0.9  0.9
assign (resid   2 and name HB#  ) (resid   2 and name HE  )  2.6  0.9  2.4
assign (resid   2 and name HB#  ) (resid   2 and name HN  )  2.9  1.0  1.0
assign (resid   2 and name HD#  ) (resid   2 and name HE  )  2.4  0.9  0.9
assign (resid   2 and name HD#  ) (resid   2 and (name HG1 or name HG2  )) 2.7  1.0  1.0
assign (resid   2 and name HD#  ) (resid   2 and (name HG2 or name HG1  )) 2.5  0.9  0.9
assign (resid   2 and name HD#  ) (resid   2 and name HN  )  3.2  1.1  1.1
assign (resid   2 and (name HG1 or name HG2  )) (resid   2 and name HN  )  2.9  1.0  1.0
assign (resid   2 and (name HG2 or name HG1  )) (resid   2 and name HN  )  2.8  1.0  1.0
assign (resid   2 and name HA  ) (resid   3 and name HN  )  2.5  0.9  0.9
assign (resid   3 and name HA  ) (resid   3 and name HN  )  2.9  1.0  1.0
assign (resid   3 and (name HB1 or name HB2  )) (resid   3 and name HN  )  3.1  1.1  1.1
assign (resid   3 and (name HB2 or name HB1  )) (resid   3 and name HN  )  2.8  1.0  1.0
assign (resid   4 and name HA  ) (resid   4 and name HD#  )  2.7  0.9  0.9
assign (resid   4 and name HA  ) (resid   4 and name HN  )  2.5  0.9  0.9
assign (resid   4 and (name HB1 or name HB2  )) (resid   4 and name HD#  )  2.7  0.9  0.9
assign (resid   4 and (name HB1 or name HB2  )) (resid   4 and name HN  )  2.9  1.0  1.0
assign (resid   4 and (name HB2 or name HB1  )) (resid   4 and name HD#  )  2.5  0.9  0.9
assign (resid   4 and (name HB2 or name HB1  )) (resid   4 and name HN  )  2.8  1.0  1.0
assign (resid   4 and name HD#  ) (resid   4 and name HE#  )  2.4  0.8  0.8
assign (resid   4 and name HD#  ) (resid   4 and name HN  )  2.7  0.9  2.3
assign (resid   5 and name HA  ) (resid   5 and name HB#  )  2.6  0.9  0.9
assign (resid   5 and name HA  ) (resid   5 and name HN  )  2.4  0.9  0.9
assign (resid   5 and name HB#  ) (resid   5 and name HG#  )  2.5  0.9  0.9
assign (resid   5 and name HB#  ) (resid   5 and name HN  )  2.9  1.0  1.0
assign (resid   5 and name HG#  ) (resid   5 and name HN  )  2.9  1.0  1.0
assign (resid   6 and name HA  ) (resid   6 and name HN  )  2.5  0.9  0.9
assign (resid   6 and name HB#  ) (resid   6 and name HN  )  2.7  0.9  0.9
assign (resid   6 and name HD#  ) (resid   6 and name HN  )  2.7  2.7  2.3
assign (resid   6 and name HA  ) (resid   7 and name HAI  )  2.5  0.9  0.9
assign (resid   7 and name HAD  ) (resid   7 and name HAH  )  2.4  0.9  0.9
assign (resid   7 and name HAH  ) (resid   7 and name HAI  )  2.8  1.0  1.0
assign (resid   8 and (name HB1 or name HB2  )) (resid   8 and name HD#  )  3.6  1.3  1.3
assign (resid   8 and (name HB2 or name HB1  )) (resid   8 and name HD#  )  5.0  1.8  1.8
assign (resid   9 and name HA  ) (resid   9 and name HB  )  2.9  1.0  1.0
assign (resid   9 and name HA  ) (resid   9 and name HG*  )  2.6  0.9  0.9
assign (resid   9 and name HA  ) (resid   9 and name HN  )  3.2  1.1  1.1
assign (resid   9 and name HB  ) (resid   9 and name HG*  )  2.6  0.9  0.9
assign (resid   9 and name HB  ) (resid   9 and name HN  )  2.7  0.9  0.9
assign (resid   9 and name HG*  ) (resid   9 and name HN  )  2.7  1.0  1.0
assign (resid  10 and name HA  ) (resid  10 and name HN  )  2.6  0.9  0.9
assign (resid  10 and name HB#  ) (resid  10 and name HG#  )  2.3  0.8  0.8
assign (resid  10 and name HB#  ) (resid  10 and name HN  )  2.6  0.9  0.9
assign (resid  10 and name HG#  ) (resid  10 and name HN  )  2.9  1.0  1.0
assign (resid  10 and name HN  ) (resid  11 and name HA  )  2.4  0.8  0.8
assign (resid  11 and name HA  ) (resid  11 and name HN  )  2.8  1.0  1.0
assign (resid  11 and name HB#  ) (resid  11 and name HN  )  2.7  1.0  1.0
assign (resid  11 and name HD#  ) (resid  11 and name HE#  )  2.6  0.9  0.9
assign (resid  11 and name HD#  ) (resid  11 and name HN  )  2.8  1.0  2.2
assign (resid  11 and name HE#  ) (resid  11 and name HG#  )  2.7  0.9  0.9
assign (resid  11 and name HE#  ) (resid  11 and name HZ#  )  2.7  1.0  1.0
assign (resid  11 and name HG#  ) (resid  11 and name HN  )  3.1  1.1  1.1
assign (resid  11 and name HG#  ) (resid  11 and name HZ#  )  3.2  1.1  1.1
assign (resid  11 and name HN  ) (resid  12 and name HA  )  2.6  0.9  0.9
assign (resid  12 and name HA  ) (resid  12 and name HN  )  3.3  1.1  1.1
assign (resid  12 and name HB#  ) (resid  12 and name HN  )  3.1  1.1  1.1
assign (resid  12 and name HN  ) (resid  13 and name HA  )  2.6  0.9  0.9
assign (resid  13 and name HA  ) (resid  13 and name HN  )  2.6  0.9  0.9
assign (resid 13 and name HD1# ) (resid 13 and (name HG11 or name HG12 )) 2.4 0.8 0.8
assign (resid 13 and name HD1# ) (resid 13 and (name HG12 or name HG11 )) 2.6 0.9 0.9
assign (resid 13 and name HD1# ) (resid 13 and name HN ) 3.2 3.2 1.1
assign (resid  13 and (name HG11 or name HG12  )) (resid  13 and name HN  )  3.3  1.1  1.1
assign (resid  13 and (name HG12 or name HG11  )) (resid  13 and name HN  )  2.7  0.9  0.9
assign (resid  13 and name HN  ) (resid  14 and name HA  )  2.7  0.9  0.9
assign (resid  14 and name HA  ) (resid  14 and name HN  )  2.7  1.0  1.0
assign (resid  14 and (name HB1 or name HB2  )) (resid  14 and name HE  )  2.8  1.0  1.0
assign (resid  14 and (name HB1 or name HB2  )) (resid  14 and name HN  )  2.8  1.0  1.0
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and name HN  )  2.8  1.0  1.0
assign (resid  14 and name HD#  ) (resid  14 and name HE  )  2.4  0.9  0.9
assign (resid  14 and name HD#  ) (resid  14 and name HN  )  3.4  1.2  1.2
assign (resid  14 and name HG#  ) (resid  14 and name HN  )  2.9  1.0  1.0
assign (resid  14 and name HN  ) (resid  15 and name HA  )  2.5  0.9  0.9
assign (resid  15 and name HA  ) (resid  15 and name HN  )  2.4  0.9  0.9
assign (resid  15 and name HB  ) (resid  15 and name HG*  )  2.5  0.9  0.9
assign (resid  15 and name HB  ) (resid  15 and name HN  )  2.5  0.9  2.5
assign (resid  15 and name HG*  ) (resid  15 and name HN  )  2.7  0.9  0.9
assign (resid  17 and (name HA1 or name HA2  )) (resid  17 and name HN  )  2.9  1.0  1.0
assign (resid  17 and (name HA2 or name HA1  )) (resid  17 and name HN  )  3.4  1.2  1.2
assign (resid  18 and name HA  ) (resid  18 and name HG*  )  2.8  1.0  1.0
assign (resid  18 and name HA  ) (resid  18 and name HN  )  3.8  1.3  1.3
assign (resid  18 and name HB  ) (resid  18 and name HG*  )  2.6  0.9  0.9
assign (resid  18 and name HB  ) (resid  18 and name HN  )  2.8  1.0  1.0
assign (resid  18 and name HG*  ) (resid  18 and name HN  )  2.9  1.0  1.0
assign (resid  18 and name HA  ) (resid  19 and name HN  )  2.4  0.8  0.8
assign (resid  19 and name HA  ) (resid  19 and name HN  )  3.7  1.3  1.3
assign (resid  19 and name HB  ) (resid  19 and name HG2#  )  2.7  0.9  0.9
assign (resid  19 and name HB  ) (resid  19 and name HN  )  2.8  1.0  1.0
assign (resid  19 and name HG2#  ) (resid  19 and name HN  )  3.2  1.1  1.1
assign (resid  19 and name HA  ) (resid  20 and name HN  )  2.6  0.9  0.9
assign (resid  20 and name HA  ) (resid  20 and name HN  )  2.7  1.0  1.0
assign (resid  20 and name HB  ) (resid  20 and name HG2#  ) 2.4  0.8  0.8
assign (resid  20 and name HB  ) (resid  20 and name HN  )  2.6  0.9  0.9
assign (resid  20 and (name HD1# or name HG2#  )) (resid  20 and (name HG11 or name HG12  )) 2.4  0.9  0.9
assign (resid  20 and (name HD1# or name HG2#  )) (resid  20 and (name HG12 or name HG11  )) 2.6  0.9  0.9
assign (resid  20 and name HG2#  ) (resid  20 and name HN  )  2.6  0.9  0.9
assign (resid  21 and name HA  ) (resid  21 and name HN  )  2.4  0.8  0.8
assign (resid  21 and (name HB1 or name HB2  )) (resid  21 and name HD#  )  2.6  0.9  0.9
assign (resid  21 and (name HB1 or name HB2  )) (resid  21 and name HE  )  2.9  1.0  1.0
assign (resid  21 and (name HB1 or name HB2  )) (resid  21 and name HN  )  2.7  0.9  0.9
assign (resid  21 and (name HB2 or name HB1  )) (resid  21 and name HD#  )  2.6  0.9  0.9
assign (resid  21 and (name HB2 or name HB1  )) (resid  21 and name HE  )  2.9  1.0  1.0
assign (resid  21 and (name HB2 or name HB1  )) (resid  21 and name HN  )  2.7  0.9  0.9
assign (resid  21 and name HD#  ) (resid  21 and name HE  )  2.5  0.9  0.9
assign (resid  21 and name HD#  ) (resid  21 and (name HG1 or name HG2  )) 2.7  0.9  0.9
assign (resid  21 and name HD#  ) (resid  21 and (name HG2 or name HG1  )) 2.6  0.9  0.9
assign (resid  21 and name HD#  ) (resid  21 and name HN  )  3.4  1.2  1.2
assign (resid  21 and name HE  ) (resid  21 and (name HG1 or name HG2  )) 2.7  1.0  1.0
assign (resid  21 and name HE  ) (resid  21 and (name HG2 or name HG1  )) 2.7  1.0  1.0
assign (resid  21 and name HE  ) (resid  21 and name HH*  )  2.2  0.8  0.8
assign (resid  21 and (name HG1 or name HG2  )) (resid  21 and name HN  )  2.9  1.0  1.0
assign (resid  21 and (name HG2 or name HG1  )) (resid  21 and name HN  )  2.9  1.0  1.0
assign (resid  22 and name HA  ) (resid  22 and name HN  )  2.8  1.0  1.0
assign (resid  22 and (name HB1 or name HB2  )) (resid  22 and name HN  )  2.9  1.0  1.0
assign (resid  22 and (name HB2 or name HB1  )) (resid  22 and name HG#  )  2.4  0.8  0.8
assign (resid  22 and (name HB2 or name HB1  )) (resid  22 and name HN  )  2.9  1.0  1.0
assign (resid  22 and name HG#  ) (resid  22 and name HN  )  2.9  1.0  1.0
assign (resid  22 and name HA  ) (resid  23 and name HN  )  2.4  0.8  0.8
assign (resid  23 and name HA  ) (resid  23 and name HN  )  2.7  0.9  0.9
assign (resid  23 and name HB#  ) (resid  23 and name HE#  )  2.5  0.9  0.9
assign (resid  23 and name HB#  ) (resid  23 and name HN  )  2.7  0.9  0.9
assign (resid  23 and name HB#  ) (resid  23 and name HZ#  )  2.9  1.0  1.0
assign (resid  23 and name HD#  ) (resid  23 and name HE#  )  2.7  0.9  0.9
assign (resid  23 and name HD#  ) (resid  23 and name HN  )  2.8  1.0  2.2
assign (resid  23 and name HD#  ) (resid  23 and name HZ#  )  2.7  0.9  0.9
assign (resid  23 and name HE#  ) (resid  23 and name HG#  )  2.6  0.9  0.9
assign (resid  23 and name HE#  ) (resid  23 and name HZ#  )  2.4  0.9  0.9
assign (resid  23 and name HG#  ) (resid  23 and name HN  )  2.9  1.0  1.0
assign (resid  23 and name HG#  ) (resid  23 and name HZ#  )  3.0  1.0  1.0

!long-range ROE's

assign (resid   2 and name HA  ) (resid  12 and name HZ  )  3.1  1.3  1.5
assign (resid   3 and (name HB1 or name HB2  )) (resid 21 and (name HH1# or name HH2# ))  3.8  1.0  1.2
assign (resid   3 and name HZ  ) (resid  10 and name HG#  )  3.6  1.0  1.4
assign (resid   3 and (name HB1 or name HB2  )) (resid  21 and name HE  )  3.5  1.0  1.5
assign (resid   4 and name HD#  ) (resid   9 and name HG*  )  4.0  1.0  1.0
assign (resid   9 and name HA  ) (resid  23 and name HN  )  3.1  1.3  1.5
assign (resid  10 and name HN  ) (resid  22 and name HA  )  3.1  1.0  1.0
assign (resid  14 and name HD#  ) (resid  15 and name HN  )  3.5  1.0  1.0
assign (resid  14 and name HE  ) (resid  19 and name HG2#  )  3.5  1.0  1.5
assign (resid  15 and name HN  ) (resid  18 and name HA  )  3.2  1.0  1.8
assign (resid  1 and name HN  ) (resid  14 and name HA  )  2.6  1.0  2.4
assign (resid   4 and name HA  ) (resid  11 and name HN  )  2.7  1.0  2.3
assign (resid  5 and name HN  ) (resid  10 and name HA  )  3.8  1.0  1.2 
assign (resid  10 and name HN  ) (resid  23 and name HA  )  2.7  1.0  2.3
assign (resid   11 and name HA  ) (resid  22 and name HN  )  2.5  1.0  2.5
assign (resid   13 and name HA  ) (resid  20 and name HN  )  1.7  1.0  3.3
!! VMK-II-070-3strand peptide, last edit 7/26/14 VMKung

!! Between top strand & middle strand:

assign ( resid 20  and name O ) ( resid 12  and name HN ) 1.9 0.4 0.6
assign ( resid 20  and name O ) ( resid 12  and name N  ) 2.9 0.5 0.7

assign ( resid 12  and name O ) ( resid 22  and name HN ) 1.9 0.4 0.6
assign ( resid 12  and name O ) ( resid 22  and name N  ) 2.9 0.5 0.7

assign ( resid 22  and name O ) ( resid 10  and name HN ) 1.9 0.4 0.6
assign ( resid 22  and name O ) ( resid 10  and name N  ) 2.9 0.5 0.7

assign ( resid 10  and name O ) ( resid 23  and name H1 ) 1.9 0.4 0.6
assign ( resid 10  and name O ) ( resid 23  and name H2 ) 1.9 0.4 0.6
assign ( resid 10  and name O ) ( resid 23  and name NT  ) 2.9 0.5 0.7

!! Between middle strand & bottom strand:

assign ( resid 9  and name O ) ( resid 7  and name HAI ) 1.9 0.4 0.6
assign ( resid 9  and name O ) ( resid 7  and name NAC  ) 2.9 0.5 0.7

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

assign ( resid 11  and name O ) ( resid 5  and name HN ) 1.9 0.4 0.6
assign ( resid 11  and name O ) ( resid 5  and name N  ) 2.9 0.5 0.7

assign ( resid 3  and name O ) ( resid 11  and name HN ) 1.9 0.4 0.6
assign ( resid 3  and name O ) ( resid 11  and name N  ) 2.9 0.5 0.7

assign ( resid 13  and name O ) ( resid 3  and name HN ) 1.9 0.4 0.6
assign ( resid 13  and name O ) ( resid 3  and name N  ) 2.9 0.5 0.7

assign ( resid 1  and name O ) ( resid 13  and name HN ) 1.9 0.4 0.6
assign ( resid 1  and name O ) ( resid 13  and name N  ) 2.9 0.5 0.7
!VMK-II-070-3strand peptide, last edited 12/30/2014 VMKung

!Bottom Strand:

assign (resid  1 and name  C) (resid  2 and name  N)
       (resid  2 and name CA) (resid  2 and name  C) 1.0  -145.00    35.00 2
assign (resid  2 and name  N) (resid  2 and name CA)
       (resid  2 and name  C) (resid  3 and name  N) 1.0   135.00    45.00 2

assign (resid  2 and name  C) (resid  3 and name  N)
       (resid  3 and name CA) (resid  3 and name  C) 1.0  -145.00    35.00 2
assign (resid  3 and name  N) (resid  3 and name CA)
       (resid  3 and name  C) (resid  4 and name  N) 1.0   135.00    45.00 2

assign (resid  5 and name  C) (resid  6 and name  N)
       (resid  6 and name CA) (resid  6 and name  C) 1.0  -145.00    35.00 2
assign (resid  6 and name  N) (resid  6 and name CA)
       (resid  6 and name  C) (resid  7 and name  NAC) 1.0   135.00    45.00 2

!Middle Strand:

assign (resid  16 and name  CAJ) (resid  15 and name  N)
       (resid  15 and name CA) (resid  15 and name  C) 1.0  -145.00    35.00 2
assign (resid  15 and name  N) (resid  15 and name CA)
       (resid  15 and name  C) (resid 14 and name  N) 1.0   135.00    45.00 2

assign (resid 15 and name  C) (resid 14 and name  N)
       (resid 14 and name CA) (resid 14 and name  C) 1.0  -145.00    35.00 2
assign (resid 14 and name  N) (resid 14 and name CA)
       (resid 14 and name  C) (resid 13 and name  N) 1.0   135.00    45.00 2

assign (resid 14 and name  C) (resid 13 and name  N)
       (resid 13 and name CA) (resid 13 and name  C) 1.0  -145.00    35.00 2
assign (resid 13 and name  N) (resid 13 and name CA)
       (resid 13 and name  C) (resid 12 and name  N) 1.0   135.00    45.00 2

assign (resid 13 and name  C) (resid 12 and name  N)
       (resid 12 and name CA) (resid 12 and name  C) 1.0  -145.00    35.00 2
assign (resid 12 and name  N) (resid 12 and name CA)
       (resid 12 and name  C) (resid 11 and name  N) 1.0   135.00    45.00 2

assign (resid 12 and name  C) (resid 11 and name  N)
       (resid 11 and name CA) (resid 11 and name  C) 1.0  -145.00    35.00 2
assign (resid 11 and name  N) (resid 11 and name CA)
       (resid 11 and name  C) (resid 10 and name  N) 1.0   135.00    45.00 2

assign (resid 11 and name  C) (resid 10 and name  N)
       (resid 10 and name CA) (resid 10 and name  C) 1.0  -145.00    35.00 2
assign (resid 10 and name  N) (resid 10 and name CA)
       (resid 10 and name  C) (resid 9 and name  N) 1.0   135.00    45.00 2

!Top Strand:

assign (resid 18 and name  C) (resid 19 and name  N)
       (resid 19 and name CA) (resid 19 and name  C) 1.0  -145.00    35.00 2
assign (resid 19 and name  N) (resid 19 and name CA)
       (resid 19 and name  C) (resid 20 and name  N) 1.0   135.00    45.00 2

assign (resid 19 and name  C) (resid 20 and name  N)
       (resid 20 and name CA) (resid 20 and name  C) 1.0  -145.00    35.00 2
assign (resid 20 and name  N) (resid 20 and name CA)
       (resid 20 and name  C) (resid 21 and name  N) 1.0   135.00    45.00 2

assign (resid 20 and name  C) (resid 21 and name  N)
       (resid 21 and name CA) (resid 21 and name  C) 1.0  -145.00    35.00 2
assign (resid 21 and name  N) (resid 21 and name CA)
       (resid 21 and name  C) (resid 22 and name  N) 1.0   135.00    45.00 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   0           HA2      ACE   0  12.342  -2.012  -1.384
    2    H2   ACE   0           HA3      ACE   0  10.601  -1.819  -1.180
    3    H3   ACE   0           HA1      ACE   0  11.692  -1.446   0.155
    4    H    GLU   1           HN       GLU   1  13.609   0.085  -0.914
    5    HA   GLU   1           HA       GLU   1  12.563   2.125  -2.658
    6    HB2  GLU   1           HB2      GLU   1  12.709   3.970  -1.030
    7    HB3  GLU   1           HB1      GLU   1  11.483   2.795  -0.564
    8    HG2  GLU   1           HG2      GLU   1  13.057   1.751   1.004
    9    HG3  GLU   1           HG1      GLU   1  14.305   2.904   0.537
   10    H    ARG   2           HN       ARG   2  14.342   4.189  -1.652
   11    HA   ARG   2           HA       ARG   2  16.916   3.044  -2.550
   12    HB2  ARG   2           HB2      ARG   2  15.984   5.933  -2.538
   13    HB3  ARG   2           HB1      ARG   2  17.556   5.382  -3.082
   14    HG2  ARG   2           HG2      ARG   2  16.149   5.807  -5.010
   15    HG3  ARG   2           HG1      ARG   2  16.442   4.084  -4.890
   16    HD2  ARG   2           HD2      ARG   2  14.221   3.720  -3.974
   17    HD3  ARG   2           HD1      ARG   2  13.921   5.446  -3.890
   18    HE   ARG   2           HE       ARG   2  13.567   3.758  -6.147
   19   HH11  ARG   2          HH21      ARG   2  14.628   6.916  -5.188
   20   HH12  ARG   2          HH22      ARG   2  14.348   7.626  -6.743
   21   HH21  ARG   2          HH11      ARG   2  13.196   4.691  -8.177
   22   HH22  ARG   2          HH12      ARG   2  13.538   6.370  -8.432
   23    H    PHE   3           HN       PHE   3  18.832   3.536  -1.430
   24    HA   PHE   3           HA       PHE   3  18.626   5.040   1.090
   25    HB2  PHE   3           HB2      PHE   3  17.999   2.720   1.631
   26    HB3  PHE   3           HB1      PHE   3  19.509   2.158   0.919
   27    HD1  PHE   3           HD1      PHE   3  18.465   4.824   3.377
   28    HD2  PHE   3           HD2      PHE   3  21.139   1.577   2.479
   29    HE1  PHE   3           HE1      PHE   3  19.566   5.117   5.576
   30    HE2  PHE   3           HE2      PHE   3  22.227   1.875   4.676
   31    HZ   PHE   3           HZ       PHE   3  21.448   3.641   6.227
   32    H    TYR   4           HN       TYR   4  20.334   6.350   1.200
   33    HA   TYR   4           HA       TYR   4  22.940   5.454   0.109
   34    HB2  TYR   4           HB2      TYR   4  21.995   7.003  -1.494
   35    HB3  TYR   4           HB1      TYR   4  21.649   8.167  -0.220
   36    HD1  TYR   4           HD1      TYR   4  24.668   6.128  -1.288
   37    HD2  TYR   4           HD2      TYR   4  23.112   9.974  -0.154
   38    HE1  TYR   4           HE1      TYR   4  26.911   7.119  -1.567
   39    HE2  TYR   4           HE2      TYR   4  25.367  10.955  -0.425
   40    HH   TYR   4           HH       TYR   4  28.009   9.140  -1.827
   41    H    GLU   5           HN       GLU   5  24.142   5.137   1.856
   42    HA   GLU   5           HA       GLU   5  24.659   7.452   3.598
   43    HB2  GLU   5           HB2      GLU   5  24.014   4.691   4.659
   44    HB3  GLU   5           HB1      GLU   5  24.623   6.029   5.623
   45    HG2  GLU   5           HG2      GLU   5  22.009   6.011   4.084
   46    HG3  GLU   5           HG1      GLU   5  22.171   5.818   5.827
   47    H    LYS   6           HN       LYS   6  26.762   7.445   4.490
   48    HA   LYS   6           HA       LYS   6  28.590   5.374   3.388
   49    HB2  LYS   6           HB2      LYS   6  30.280   7.131   3.186
   50    HB3  LYS   6           HB1      LYS   6  28.875   7.489   2.183
   51    HG2  LYS   6           HG2      LYS   6  27.994   8.962   3.988
   52    HG3  LYS   6           HG1      LYS   6  29.447   8.655   4.930
   53    HD2  LYS   6           HD2      LYS   6  29.374   9.981   2.200
   54    HD3  LYS   6           HD1      LYS   6  29.573  10.820   3.732
   55    HE2  LYS   6           HE2      LYS   6  31.508   8.797   2.542
   56    HE3  LYS   6           HE1      LYS   6  31.740  10.531   2.654
   57    HZ1  LYS   6           HZ1      LYS   6  32.831   9.823   4.511
   58    HZ2  LYS   6           HZ2      LYS   6  31.764   8.533   4.801
   59    HZ3  LYS   6           HZ3      LYS   6  31.292  10.125   5.158
   60    HAC  4G6   7           HAC      4G6   7  32.965   6.572   5.227
   61    HAB  4G6   7           HAB      4G6   7  32.247   7.280   6.693
   62    HAA  4G6   7           HAA      4G6   7  33.879   6.572   6.753
   63    HAF  4G6   7           HAF      4G6   7  32.415   3.726   8.301
   64    HAD  4G6   7           HAD      4G6   7  32.514   5.436   8.793
   65    HAE  4G6   7           HAE      4G6   7  33.906   4.650   8.009
   66    HAL  4G6   7           HAL      4G6   7  33.459   4.305   5.081
   67    HAH  4G6   7           HAH      4G6   7  30.530   6.135   7.397
   68    HAG  4G6   7           HAG      4G6   7  30.347   4.379   7.215
   69    H    4G6   7           H          4G6   7  30.626   5.138   4.620
   70    HA   DPR   8           HA       PRO   8  33.558   2.288   4.188
   71    HB2  DPR   8           HB2      PRO   8  33.390   0.307   5.392
   72    HB3  DPR   8           HB1      PRO   8  31.633   0.462   5.600
   73    HG2  DPR   8           HG2      PRO   8  33.182  -0.578   3.281
   74    HG3  DPR   8           HG1      PRO   8  31.593  -1.069   3.886
   75    HD2  DPR   8           HD2      PRO   8  32.044   0.616   1.675
   76    HD3  DPR   8           HD1      PRO   8  30.498   0.449   2.535
   77    H    VAL   9           HN       VAL   9  28.454   3.623   2.207
   78    HA   VAL   9           HA       VAL   9  30.690   2.260   0.800
   79    HB   VAL   9           HB       VAL   9  30.196   5.215   1.239
   80   HG11  VAL   9          HG11      VAL   9  32.389   3.656  -0.151
   81   HG12  VAL   9          HG12      VAL   9  32.560   4.811   1.170
   82   HG13  VAL   9          HG13      VAL   9  32.103   5.372  -0.438
   83   HG21  VAL   9          HG21      VAL   9  30.150   3.631  -1.342
   84   HG22  VAL   9          HG22      VAL   9  29.655   5.307  -1.098
   85   HG23  VAL   9          HG23      VAL   9  28.694   3.995  -0.415
   86    H    GLN  10           HN       GLN  10  26.264   0.134   0.559
   87    HA   GLN  10           HA       GLN  10  26.471   2.685   2.073
   88    HB2  GLN  10           HB2      GLN  10  27.195  -0.098   3.016
   89    HB3  GLN  10           HB1      GLN  10  27.385   1.384   3.940
   90    HG2  GLN  10           HG2      GLN  10  24.741   0.266   2.972
   91    HG3  GLN  10           HG1      GLN  10  25.368   0.106   4.609
   92   HE21  GLN  10          HE21      GLN  10  24.625   1.655   6.023
   93   HE22  GLN  10          HE22      GLN  10  24.067   3.196   5.589
   94    H    LYS  11           HN       LYS  11  22.263   1.444  -0.058
   95    HA   LYS  11           HA       LYS  11  24.431  -0.317  -0.375
   96    HB2  LYS  11           HB2      LYS  11  25.652   1.144  -2.132
   97    HB3  LYS  11           HB1      LYS  11  24.497  -0.067  -2.648
   98    HG2  LYS  11           HG2      LYS  11  24.218   2.039  -3.870
   99    HG3  LYS  11           HG1      LYS  11  22.790   1.654  -2.929
  100    HD2  LYS  11           HD2      LYS  11  23.469   3.276  -1.222
  101    HD3  LYS  11           HD1      LYS  11  24.922   3.660  -2.152
  102    HE2  LYS  11           HE2      LYS  11  22.066   3.950  -3.139
  103    HE3  LYS  11           HE1      LYS  11  23.078   5.279  -2.608
  104    HZ1  LYS  11           HZ1      LYS  11  23.526   5.355  -4.806
  105    HZ2  LYS  11           HZ2      LYS  11  23.209   3.706  -5.055
  106    HZ3  LYS  11           HZ3      LYS  11  24.691   4.199  -4.383
  107    H    PHE  12           HN       PHE  12  19.993  -1.506  -2.545
  108    HA   PHE  12           HA       PHE  12  20.214   1.046  -1.048
  109    HB2  PHE  12           HB2      PHE  12  20.125  -1.790   0.021
  110    HB3  PHE  12           HB1      PHE  12  20.414  -0.351   0.991
  111    HD1  PHE  12           HD1      PHE  12  17.918  -1.547  -1.598
  112    HD2  PHE  12           HD2      PHE  12  18.566   0.497   2.133
  113    HE1  PHE  12           HE1      PHE  12  15.498  -1.127  -1.402
  114    HE2  PHE  12           HE2      PHE  12  16.136   0.906   2.317
  115    HZ   PHE  12           HZ       PHE  12  14.612   0.103   0.545
  116    H    ILE  13           HN       ILE  13  16.715  -0.881  -3.236
  117    HA   ILE  13           HA       ILE  13  19.207  -1.377  -4.577
  118    HB   ILE  13           HB       ILE  13  19.280   0.825  -5.767
  119   HG12  ILE  13          HG12      ILE  13  16.281   0.826  -5.277
  120   HG13  ILE  13          HG11      ILE  13  17.415   1.940  -4.540
  121   HG21  ILE  13          HG21      ILE  13  18.704  -1.420  -6.841
  122   HG22  ILE  13          HG22      ILE  13  18.200   0.018  -7.722
  123   HG23  ILE  13          HG23      ILE  13  17.018  -0.897  -6.792
  124   HD11  ILE  13          HD11      ILE  13  17.806   3.095  -6.516
  125   HD12  ILE  13          HD12      ILE  13  16.111   2.655  -6.707
  126   HD13  ILE  13          HD13      ILE  13  17.355   1.733  -7.537
  127    H    ARG  14           HN       ARG  14  14.766  -3.005  -6.097
  128    HA   ARG  14           HA       ARG  14  15.033  -2.156  -3.453
  129    HB2  ARG  14           HB2      ARG  14  16.509  -3.831  -2.470
  130    HB3  ARG  14           HB1      ARG  14  14.929  -4.505  -2.800
  131    HG2  ARG  14           HG2      ARG  14  17.346  -4.889  -4.570
  132    HG3  ARG  14           HG1      ARG  14  16.788  -6.054  -3.398
  133    HD2  ARG  14           HD2      ARG  14  14.569  -6.075  -4.613
  134    HD3  ARG  14           HD1      ARG  14  15.345  -5.119  -5.871
  135    HE   ARG  14           HE       ARG  14  15.696  -7.885  -5.430
  136   HH11  ARG  14          HH21      ARG  14  17.247  -4.972  -6.451
  137   HH12  ARG  14          HH22      ARG  14  18.498  -5.778  -7.337
  138   HH21  ARG  14          HH11      ARG  14  17.345  -8.960  -6.588
  139   HH22  ARG  14          HH12      ARG  14  18.554  -8.034  -7.413
  140    H    VAL  15           HN       VAL  15  11.437  -5.533  -5.018
  141    HA   VAL  15           HA       VAL  15  13.031  -4.052  -6.988
  142    HB   VAL  15           HB       VAL  15  12.068  -1.866  -6.370
  143   HG11  VAL  15          HG11      VAL  15  11.199  -3.251  -8.341
  144   HG12  VAL  15          HG12      VAL  15  10.126  -1.989  -7.741
  145   HG13  VAL  15          HG13      VAL  15   9.830  -3.670  -7.310
  146   HG21  VAL  15          HG21      VAL  15  11.186  -2.303  -4.192
  147   HG22  VAL  15          HG22      VAL  15  10.172  -3.615  -4.791
  148   HG23  VAL  15          HG23      VAL  15   9.795  -1.945  -5.216
  149    H8   4FU  16           HAM      4FU  16  10.554  -9.276  -6.948
  150    H9   4FU  16           HAI      4FU  16  12.007  -7.404  -8.853
  151    HAI  4FU  16           HAJ      4FU  16  11.974  -9.179  -8.965
  152   H112  4FU  16          HAE       4FU  16   9.528  -9.147  -9.196
  153   H111  4FU  16          HAF       4FU  16  10.301  -8.170 -10.465
  154    HAG  4FU  16           HAG      4FU  16   9.827  -6.114  -9.202
  155    H12  4FU  16           HAH      4FU  16   8.335  -7.037  -9.467
  156    HAL  4FU  16           HAL      4FU  16   8.469  -7.985  -7.224
  157    HAK  4FU  16           HAK      4FU  16   8.498  -6.212  -7.131
  158    H14  4FU  16           HAN      4FU  16  10.173  -7.227  -5.628
  159    H    GLY  17           HN       GLY  17  12.205 -10.407  -6.055
  160    HA2  GLY  17           HA2      GLY  17  14.156 -10.868  -4.922
  161    HA3  GLY  17           HA1      GLY  17  14.851  -9.439  -5.687
  162    H    VAL  18           HN       VAL  18  14.737 -10.563  -2.806
  163    HA   VAL  18           HA       VAL  18  13.241  -8.774  -1.232
  164    HB   VAL  18           HB       VAL  18  14.708  -9.488   0.631
  165   HG11  VAL  18          HG11      VAL  18  14.121 -11.854  -1.162
  166   HG12  VAL  18          HG12      VAL  18  12.842 -10.930  -0.373
  167   HG13  VAL  18          HG13      VAL  18  14.044 -11.778   0.599
  168   HG21  VAL  18          HG21      VAL  18  16.428 -11.362  -0.158
  169   HG22  VAL  18          HG22      VAL  18  16.903  -9.669  -0.171
  170   HG23  VAL  18          HG23      VAL  18  16.405 -10.451  -1.669
  171    H    THR  19           HN       THR  19  15.956  -8.213   0.333
  172    HA   THR  19           HA       THR  19  16.672  -5.766  -1.175
  173    HB   THR  19           HB       THR  19  16.697  -4.522   0.933
  174    HG1  THR  19           HG1      THR  19  15.273  -6.114   2.463
  175   HG21  THR  19          HG21      THR  19  14.027  -5.899   0.801
  176   HG22  THR  19          HG22      THR  19  14.574  -4.934  -0.566
  177   HG23  THR  19          HG23      THR  19  14.377  -4.185   1.019
  178    H    ILE  20           HN       ILE  20  18.772  -4.985  -0.910
  179    HA   ILE  20           HA       ILE  20  20.642  -6.377   0.818
  180    HB   ILE  20           HB       ILE  20  20.505  -7.899  -1.135
  181   HG12  ILE  20          HG12      ILE  20  22.919  -7.927  -1.689
  182   HG13  ILE  20          HG11      ILE  20  23.092  -6.314  -1.009
  183   HG21  ILE  20          HG21      ILE  20  21.064  -7.161  -3.341
  184   HG22  ILE  20          HG22      ILE  20  21.599  -5.588  -2.750
  185   HG23  ILE  20          HG23      ILE  20  19.885  -6.005  -2.721
  186   HD11  ILE  20          HD11      ILE  20  22.847  -7.057   1.179
  187   HD12  ILE  20          HD12      ILE  20  23.647  -8.448   0.453
  188   HD13  ILE  20          HD13      ILE  20  21.903  -8.471   0.708
  189    H    ARG  21           HN       ARG  21  22.697  -5.274   0.930
  190    HA   ARG  21           HA       ARG  21  22.906  -2.761  -0.550
  191    HB2  ARG  21           HB2      ARG  21  23.429  -1.421   1.410
  192    HB3  ARG  21           HB1      ARG  21  21.819  -2.080   1.530
  193    HG2  ARG  21           HG2      ARG  21  24.227  -3.252   2.933
  194    HG3  ARG  21           HG1      ARG  21  23.099  -2.129   3.678
  195    HD2  ARG  21           HD2      ARG  21  22.448  -4.911   2.667
  196    HD3  ARG  21           HD1      ARG  21  22.527  -4.387   4.326
  197    HE   ARG  21           HE       ARG  21  20.688  -2.725   3.027
  198   HH11  ARG  21          HH21      ARG  21  21.119  -6.050   3.897
  199   HH12  ARG  21          HH22      ARG  21  19.425  -6.368   4.065
  200   HH21  ARG  21          HH11      ARG  21  18.470  -3.135   3.246
  201   HH22  ARG  21          HH12      ARG  21  17.924  -4.716   3.695
  202    H    GLU  22           HN       GLU  22  24.911  -1.974  -0.890
  203    HA   GLU  22           HA       GLU  22  27.240  -2.928   0.462
  204    HB2  GLU  22           HB2      GLU  22  28.247  -4.240  -1.347
  205    HB3  GLU  22           HB1      GLU  22  26.751  -4.987  -0.795
  206    HG2  GLU  22           HG2      GLU  22  27.037  -3.228  -3.254
  207    HG3  GLU  22           HG1      GLU  22  26.885  -4.981  -3.259
  208    H    LYS  23           HN       LYS  23  29.250  -2.127  -0.518
  209    HA   LYS  23           HA       LYS  23  30.358  -0.147  -1.104
  210    HB2  LYS  23           HB2      LYS  23  29.134  -1.016  -3.729
  211    HB3  LYS  23           HB1      LYS  23  30.585  -0.047  -3.530
  212    HG2  LYS  23           HG2      LYS  23  30.252  -2.904  -2.596
  213    HG3  LYS  23           HG1      LYS  23  31.114  -2.400  -4.042
  214    HD2  LYS  23           HD2      LYS  23  32.685  -1.091  -2.616
  215    HD3  LYS  23           HD1      LYS  23  31.850  -1.694  -1.184
  216    HE2  LYS  23           HE2      LYS  23  33.809  -3.068  -1.643
  217    HE3  LYS  23           HE1      LYS  23  32.326  -3.995  -1.854
  218    HZ1  LYS  23           HZ1      LYS  23  33.369  -2.612  -4.195
  219    HZ2  LYS  23           HZ2      LYS  23  32.597  -4.122  -4.078
  220    HZ3  LYS  23           HZ3      LYS  23  34.236  -3.967  -3.660
  221    HN1  NH2  24           H2       LYS  23  27.172   1.904  -1.065
  222    HN2  NH2  24           H1       LYS  23  27.491   0.420  -0.318
  Start of MODEL    2
    1    H1   ACE   0           HA2      ACE   0  10.325  -2.434   1.026
    2    H2   ACE   0           HA3      ACE   0  11.096  -1.811   2.484
    3    H3   ACE   0           HA1      ACE   0  12.086  -2.397   1.147
    4    H    GLU   1           HN       GLU   1  13.143  -0.612   0.432
    5    HA   GLU   1           HA       GLU   1  11.751   1.383  -1.022
    6    HB2  GLU   1           HB2      GLU   1  12.245   3.338   0.399
    7    HB3  GLU   1           HB1      GLU   1  11.170   2.208   1.208
    8    HG2  GLU   1           HG2      GLU   1  13.078   1.241   2.429
    9    HG3  GLU   1           HG1      GLU   1  14.168   2.370   1.626
   10    H    ARG   2           HN       ARG   2  13.750   3.471  -0.335
   11    HA   ARG   2           HA       ARG   2  16.187   2.352  -1.602
   12    HB2  ARG   2           HB2      ARG   2  14.879   5.044  -2.101
   13    HB3  ARG   2           HB1      ARG   2  16.338   4.444  -2.876
   14    HG2  ARG   2           HG2      ARG   2  13.585   3.197  -3.150
   15    HG3  ARG   2           HG1      ARG   2  14.337   4.252  -4.336
   16    HD2  ARG   2           HD2      ARG   2  16.183   2.622  -4.585
   17    HD3  ARG   2           HD1      ARG   2  15.388   1.551  -3.440
   18    HE   ARG   2           HE       ARG   2  14.060   0.833  -5.162
   19   HH11  ARG   2          HH21      ARG   2  15.270   4.003  -5.877
   20   HH12  ARG   2          HH22      ARG   2  14.472   4.105  -7.411
   21   HH21  ARG   2          HH11      ARG   2  13.029   0.963  -7.167
   22   HH22  ARG   2          HH12      ARG   2  13.206   2.384  -8.141
   23    H    PHE   3           HN       PHE   3  18.021   2.795  -0.528
   24    HA   PHE   3           HA       PHE   3  18.596   5.274   0.623
   25    HB2  PHE   3           HB2      PHE   3  17.001   4.694   2.408
   26    HB3  PHE   3           HB1      PHE   3  17.890   3.202   2.731
   27    HD1  PHE   3           HD1      PHE   3  18.884   6.832   2.184
   28    HD2  PHE   3           HD2      PHE   3  19.133   3.374   4.710
   29    HE1  PHE   3           HE1      PHE   3  20.438   8.030   3.687
   30    HE2  PHE   3           HE2      PHE   3  20.713   4.556   6.188
   31    HZ   PHE   3           HZ       PHE   3  21.379   6.881   5.678
   32    H    TYR   4           HN       TYR   4  20.637   4.804   2.368
   33    HA   TYR   4           HA       TYR   4  22.816   4.121   2.424
   34    HB2  TYR   4           HB2      TYR   4  21.756   1.691   0.974
   35    HB3  TYR   4           HB1      TYR   4  23.400   1.877   1.452
   36    HD1  TYR   4           HD1      TYR   4  20.057   2.275   3.043
   37    HD2  TYR   4           HD2      TYR   4  24.037   0.707   3.330
   38    HE1  TYR   4           HE1      TYR   4  19.501   1.252   5.258
   39    HE2  TYR   4           HE2      TYR   4  23.497  -0.266   5.547
   40    HH   TYR   4           HH       TYR   4  21.326   0.547   7.446
   41    H    GLU   5           HN       GLU   5  24.299   5.205   1.245
   42    HA   GLU   5           HA       GLU   5  24.200   5.031  -1.706
   43    HB2  GLU   5           HB2      GLU   5  24.854   7.556  -0.168
   44    HB3  GLU   5           HB1      GLU   5  24.930   7.363  -1.908
   45    HG2  GLU   5           HG2      GLU   5  22.906   8.518  -1.477
   46    HG3  GLU   5           HG1      GLU   5  22.424   6.865  -1.816
   47    H    LYS   6           HN       LYS   6  26.483   7.101  -0.095
   48    HA   LYS   6           HA       LYS   6  28.618   5.176   0.098
   49    HB2  LYS   6           HB2      LYS   6  28.349   5.534  -2.390
   50    HB3  LYS   6           HB1      LYS   6  28.720   7.229  -2.136
   51    HG2  LYS   6           HG2      LYS   6  30.577   4.904  -1.536
   52    HG3  LYS   6           HG1      LYS   6  30.690   5.961  -2.931
   53    HD2  LYS   6           HD2      LYS   6  31.101   7.886  -1.358
   54    HD3  LYS   6           HD1      LYS   6  31.141   6.723  -0.033
   55    HE2  LYS   6           HE2      LYS   6  33.410   7.183  -0.817
   56    HE3  LYS   6           HE1      LYS   6  32.963   5.501  -1.098
   57    HZ1  LYS   6           HZ1      LYS   6  32.901   5.788  -3.324
   58    HZ2  LYS   6           HZ2      LYS   6  34.008   7.028  -2.974
   59    HZ3  LYS   6           HZ3      LYS   6  32.370   7.395  -3.230
   60    HAC  4G6   7           HAC      4G6   7  32.268   8.524   4.129
   61    HAB  4G6   7           HAB      4G6   7  30.736   9.294   4.611
   62    HAA  4G6   7           HAA      4G6   7  31.458   8.030   5.635
   63    HAF  4G6   7           HAF      4G6   7  29.319   5.653   4.544
   64    HAD  4G6   7           HAD      4G6   7  28.499   7.234   4.569
   65    HAE  4G6   7           HAE      4G6   7  29.732   6.848   5.796
   66    HAL  4G6   7           HAL      4G6   7  31.866   6.368   2.465
   67    HAH  4G6   7           HAH      4G6   7  30.542   8.577   2.110
   68    HAG  4G6   7           HAG      4G6   7  29.016   8.583   3.021
   69    H    4G6   7           H          4G6   7  29.209   5.988   2.050
   70    HA   DPR   8           HA       PRO   8  33.301   4.644   2.675
   71    HB2  DPR   8           HB2      PRO   8  34.571   3.905   4.449
   72    HB3  DPR   8           HB1      PRO   8  33.148   3.603   5.464
   73    HG2  DPR   8           HG2      PRO   8  34.498   1.811   3.511
   74    HG3  DPR   8           HG1      PRO   8  33.637   1.408   5.007
   75    HD2  DPR   8           HD2      PRO   8  32.568   1.010   2.513
   76    HD3  DPR   8           HD1      PRO   8  31.573   1.316   3.949
   77    H    VAL   9           HN       VAL   9  28.593   2.888   0.194
   78    HA   VAL   9           HA       VAL   9  30.374   1.181   1.778
   79    HB   VAL   9           HB       VAL   9  30.787   2.683  -0.825
   80   HG11  VAL   9          HG11      VAL   9  32.407   0.382   0.295
   81   HG12  VAL   9          HG12      VAL   9  32.884   2.071   0.464
   82   HG13  VAL   9          HG13      VAL   9  32.760   1.347  -1.134
   83   HG21  VAL   9          HG21      VAL   9  30.571  -0.275  -0.852
   84   HG22  VAL   9          HG22      VAL   9  29.843   0.907  -1.933
   85   HG23  VAL   9          HG23      VAL   9  29.069   0.536  -0.390
   86    H    GLN  10           HN       GLN  10  26.002   0.553   1.228
   87    HA   GLN  10           HA       GLN  10  26.597   3.453   1.026
   88    HB2  GLN  10           HB2      GLN  10  24.833   3.138   2.737
   89    HB3  GLN  10           HB1      GLN  10  25.859   1.981   3.561
   90    HG2  GLN  10           HG2      GLN  10  25.959   4.158   4.658
   91    HG3  GLN  10           HG1      GLN  10  27.523   3.720   3.976
   92   HE21  GLN  10          HE21      GLN  10  25.377   6.272   4.267
   93   HE22  GLN  10          HE22      GLN  10  25.873   7.197   2.933
   94    H    LYS  11           HN       LYS  11  22.484   1.500  -0.669
   95    HA   LYS  11           HA       LYS  11  24.629  -0.289  -0.117
   96    HB2  LYS  11           HB2      LYS  11  26.005   0.323  -2.163
   97    HB3  LYS  11           HB1      LYS  11  24.733  -0.868  -2.357
   98    HG2  LYS  11           HG2      LYS  11  24.829   0.746  -4.236
   99    HG3  LYS  11           HG1      LYS  11  23.285   0.788  -3.403
  100    HD2  LYS  11           HD2      LYS  11  23.876   2.807  -2.274
  101    HD3  LYS  11           HD1      LYS  11  25.530   2.764  -2.892
  102    HE2  LYS  11           HE2      LYS  11  22.975   3.046  -4.514
  103    HE3  LYS  11           HE1      LYS  11  24.117   4.343  -4.166
  104    HZ1  LYS  11           HZ1      LYS  11  24.333   2.132  -6.042
  105    HZ2  LYS  11           HZ2      LYS  11  25.755   2.544  -5.207
  106    HZ3  LYS  11           HZ3      LYS  11  24.948   3.709  -6.143
  107    H    PHE  12           HN       PHE  12  20.306  -1.847  -2.164
  108    HA   PHE  12           HA       PHE  12  20.439   0.788  -0.857
  109    HB2  PHE  12           HB2      PHE  12  20.390  -1.832   0.657
  110    HB3  PHE  12           HB1      PHE  12  20.547  -0.228   1.343
  111    HD1  PHE  12           HD1      PHE  12  18.222  -2.162  -0.906
  112    HD2  PHE  12           HD2      PHE  12  18.621   0.801   2.172
  113    HE1  PHE  12           HE1      PHE  12  15.762  -1.923  -0.805
  114    HE2  PHE  12           HE2      PHE  12  16.167   1.022   2.286
  115    HZ   PHE  12           HZ       PHE  12  14.742  -0.337   0.798
  116    H    ILE  13           HN       ILE  13  16.412  -0.808  -2.923
  117    HA   ILE  13           HA       ILE  13  18.853  -2.196  -3.663
  118    HB   ILE  13           HB       ILE  13  19.705  -0.390  -5.143
  119   HG12  ILE  13          HG12      ILE  13  16.816   0.495  -5.140
  120   HG13  ILE  13          HG11      ILE  13  18.159   1.394  -4.428
  121   HG21  ILE  13          HG21      ILE  13  18.637  -2.540  -5.979
  122   HG22  ILE  13          HG22      ILE  13  18.660  -1.200  -7.122
  123   HG23  ILE  13          HG23      ILE  13  17.173  -1.598  -6.267
  124   HD11  ILE  13          HD11      ILE  13  17.683   0.770  -7.347
  125   HD12  ILE  13          HD12      ILE  13  19.243   1.328  -6.740
  126   HD13  ILE  13          HD13      ILE  13  17.817   2.356  -6.585
  127    H    ARG  14           HN       ARG  14  14.488  -2.957  -5.775
  128    HA   ARG  14           HA       ARG  14  14.506  -1.800  -3.114
  129    HB2  ARG  14           HB2      ARG  14  14.932  -4.768  -3.519
  130    HB3  ARG  14           HB1      ARG  14  15.270  -3.898  -2.044
  131    HG2  ARG  14           HG2      ARG  14  12.526  -4.188  -3.262
  132    HG3  ARG  14           HG1      ARG  14  13.164  -5.185  -1.974
  133    HD2  ARG  14           HD2      ARG  14  13.468  -3.185  -0.563
  134    HD3  ARG  14           HD1      ARG  14  12.798  -2.179  -1.833
  135    HE   ARG  14           HE       ARG  14  10.743  -2.822  -1.146
  136   HH11  ARG  14          HH21      ARG  14  13.053  -5.169  -0.111
  137   HH12  ARG  14          HH22      ARG  14  11.879  -6.192   0.646
  138   HH21  ARG  14          HH11      ARG  14   9.196  -4.152  -0.152
  139   HH22  ARG  14          HH12      ARG  14   9.699  -5.616   0.624
  140    H    VAL  15           HN       VAL  15  11.469  -4.423  -5.784
  141    HA   VAL  15           HA       VAL  15  12.834  -2.251  -7.122
  142    HB   VAL  15           HB       VAL  15  11.362  -0.441  -6.264
  143   HG11  VAL  15          HG11      VAL  15   9.728  -2.290  -8.016
  144   HG12  VAL  15          HG12      VAL  15  11.143  -1.420  -8.615
  145   HG13  VAL  15          HG13      VAL  15   9.752  -0.531  -8.010
  146   HG21  VAL  15          HG21      VAL  15  10.025  -1.186  -4.527
  147   HG22  VAL  15          HG22      VAL  15   9.837  -2.798  -5.216
  148   HG23  VAL  15          HG23      VAL  15   8.878  -1.455  -5.834
  149    H8   4FU  16           HAM      4FU  16  11.505  -7.660  -8.564
  150    H9   4FU  16           HAI      4FU  16  12.467  -5.113  -9.920
  151    HAI  4FU  16           HAJ      4FU  16  12.841  -6.773 -10.436
  152   H112  4FU  16          HAE       4FU  16  10.451  -7.236 -10.774
  153   H111  4FU  16          HAF       4FU  16  10.975  -5.842 -11.745
  154    HAG  4FU  16           HAG      4FU  16  10.057  -4.299 -10.060
  155    H12  4FU  16           HAH      4FU  16   8.809  -5.434 -10.616
  156    HAL  4FU  16           HAL      4FU  16   9.160  -6.843  -8.652
  157    HAK  4FU  16           HAK      4FU  16   8.781  -5.182  -8.146
  158    H14  4FU  16           HAN      4FU  16  10.648  -6.127  -6.835
  159    H    GLY  17           HN       GLY  17  14.125  -7.681  -9.070
  160    HA2  GLY  17           HA2      GLY  17  16.149  -7.907  -7.984
  161    HA3  GLY  17           HA1      GLY  17  15.906  -6.221  -7.531
  162    H    VAL  18           HN       VAL  18  17.030  -6.851  -5.517
  163    HA   VAL  18           HA       VAL  18  15.080  -7.812  -3.535
  164    HB   VAL  18           HB       VAL  18  16.828  -9.217  -2.463
  165   HG11  VAL  18          HG11      VAL  18  16.456  -9.952  -5.380
  166   HG12  VAL  18          HG12      VAL  18  15.174 -10.097  -4.178
  167   HG13  VAL  18          HG13      VAL  18  16.646 -11.052  -4.014
  168   HG21  VAL  18          HG21      VAL  18  18.768  -7.943  -3.489
  169   HG22  VAL  18          HG22      VAL  18  18.402  -8.747  -5.013
  170   HG23  VAL  18          HG23      VAL  18  18.904  -9.696  -3.615
  171    H    THR  19           HN       THR  19  16.173  -7.566  -1.234
  172    HA   THR  19           HA       THR  19  17.187  -4.781  -1.133
  173    HB   THR  19           HB       THR  19  15.801  -6.457   0.989
  174    HG1  THR  19           HG1      THR  19  14.332  -5.995  -0.563
  175   HG21  THR  19          HG21      THR  19  15.966  -4.668   2.417
  176   HG22  THR  19          HG22      THR  19  15.755  -3.503   1.115
  177   HG23  THR  19          HG23      THR  19  17.342  -4.207   1.412
  178    H    ILE  20           HN       ILE  20  19.342  -4.827  -1.058
  179    HA   ILE  20           HA       ILE  20  20.663  -6.337   1.094
  180    HB   ILE  20           HB       ILE  20  21.612  -6.135  -1.777
  181   HG12  ILE  20          HG12      ILE  20  20.737  -8.529  -0.120
  182   HG13  ILE  20          HG11      ILE  20  19.772  -7.776  -1.386
  183   HG21  ILE  20          HG21      ILE  20  23.488  -6.016  -0.274
  184   HG22  ILE  20          HG22      ILE  20  23.428  -7.661  -0.895
  185   HG23  ILE  20          HG23      ILE  20  22.838  -7.309   0.728
  186   HD11  ILE  20          HD11      ILE  20  21.628  -8.250  -3.005
  187   HD12  ILE  20          HD12      ILE  20  20.902  -9.707  -2.328
  188   HD13  ILE  20          HD13      ILE  20  22.458  -9.135  -1.727
  189    H    ARG  21           HN       ARG  21  22.248  -5.206   2.146
  190    HA   ARG  21           HA       ARG  21  22.725  -2.415   1.267
  191    HB2  ARG  21           HB2      ARG  21  23.065  -3.675   4.000
  192    HB3  ARG  21           HB1      ARG  21  23.549  -2.040   3.600
  193    HG2  ARG  21           HG2      ARG  21  21.422  -2.010   4.744
  194    HG3  ARG  21           HG1      ARG  21  21.196  -1.490   3.092
  195    HD2  ARG  21           HD2      ARG  21  20.292  -3.695   2.516
  196    HD3  ARG  21           HD1      ARG  21  20.581  -4.254   4.161
  197    HE   ARG  21           HE       ARG  21  19.031  -1.882   4.198
  198   HH11  ARG  21          HH21      ARG  21  18.904  -5.254   3.432
  199   HH12  ARG  21          HH22      ARG  21  17.183  -5.370   3.599
  200   HH21  ARG  21          HH11      ARG  21  16.777  -2.021   4.419
  201   HH22  ARG  21          HH12      ARG  21  15.977  -3.537   4.162
  202    H    GLU  22           HN       GLU  22  24.695  -1.814   0.632
  203    HA   GLU  22           HA       GLU  22  26.802  -3.760   0.525
  204    HB2  GLU  22           HB2      GLU  22  26.417  -2.230  -1.369
  205    HB3  GLU  22           HB1      GLU  22  26.811  -0.870  -0.324
  206    HG2  GLU  22           HG2      GLU  22  28.743  -1.459  -1.680
  207    HG3  GLU  22           HG1      GLU  22  29.069  -1.771   0.019
  208    H    LYS  23           HN       LYS  23  28.867  -3.556   1.484
  209    HA   LYS  23           HA       LYS  23  28.800  -2.554   4.147
  210    HB2  LYS  23           HB2      LYS  23  31.092  -3.682   2.529
  211    HB3  LYS  23           HB1      LYS  23  31.183  -3.289   4.236
  212    HG2  LYS  23           HG2      LYS  23  30.831  -5.683   3.919
  213    HG3  LYS  23           HG1      LYS  23  29.435  -4.963   4.706
  214    HD2  LYS  23           HD2      LYS  23  28.194  -4.980   2.609
  215    HD3  LYS  23           HD1      LYS  23  29.610  -5.577   1.739
  216    HE2  LYS  23           HE2      LYS  23  28.186  -6.974   4.005
  217    HE3  LYS  23           HE1      LYS  23  28.026  -7.384   2.299
  218    HZ1  LYS  23           HZ1      LYS  23  30.225  -7.883   4.139
  219    HZ2  LYS  23           HZ2      LYS  23  30.657  -7.449   2.554
  220    HZ3  LYS  23           HZ3      LYS  23  29.677  -8.809   2.827
  221    HN1  NH2  24           H2       LYS  23  29.983   0.688   3.711
  222    HN2  NH2  24           H1       LYS  23  28.876  -0.354   4.459
  Start of MODEL    3
    1    H1   ACE   0           HA2      ACE   0  11.512   0.674   1.446
    2    H2   ACE   0           HA3      ACE   0  13.043   0.785   2.316
    3    H3   ACE   0           HA1      ACE   0  12.855  -0.382   1.006
    4    H    GLU   1           HN       GLU   1  11.897   0.880  -1.066
    5    HA   GLU   1           HA       GLU   1  12.438   2.239  -2.827
    6    HB2  GLU   1           HB2      GLU   1  13.001   4.223  -0.609
    7    HB3  GLU   1           HB1      GLU   1  12.795   4.621  -2.315
    8    HG2  GLU   1           HG2      GLU   1  10.513   3.686  -2.262
    9    HG3  GLU   1           HG1      GLU   1  10.715   3.288  -0.556
   10    H    ARG   2           HN       ARG   2  14.643   4.387  -1.577
   11    HA   ARG   2           HA       ARG   2  16.948   2.739  -2.468
   12    HB2  ARG   2           HB2      ARG   2  16.629   5.751  -2.705
   13    HB3  ARG   2           HB1      ARG   2  18.070   4.855  -3.125
   14    HG2  ARG   2           HG2      ARG   2  16.900   5.388  -5.164
   15    HG3  ARG   2           HG1      ARG   2  16.739   3.662  -4.894
   16    HD2  ARG   2           HD2      ARG   2  14.459   3.972  -4.090
   17    HD3  ARG   2           HD1      ARG   2  14.618   5.713  -4.187
   18    HE   ARG   2           HE       ARG   2  15.167   4.612  -6.714
   19   HH11  ARG   2          HH21      ARG   2  12.577   4.940  -4.440
   20   HH12  ARG   2          HH22      ARG   2  11.336   4.970  -5.649
   21   HH21  ARG   2          HH11      ARG   2  13.546   4.653  -8.302
   22   HH22  ARG   2          HH12      ARG   2  11.885   4.808  -7.835
   23    H    PHE   3           HN       PHE   3  19.039   3.343  -1.526
   24    HA   PHE   3           HA       PHE   3  18.954   4.786   1.026
   25    HB2  PHE   3           HB2      PHE   3  18.252   2.433   1.498
   26    HB3  PHE   3           HB1      PHE   3  19.752   1.873   0.803
   27    HD1  PHE   3           HD2      PHE   3  20.604   4.827   2.566
   28    HD2  PHE   3           HD1      PHE   3  19.469   0.735   3.191
   29    HE1  PHE   3           HE2      PHE   3  21.632   4.882   4.803
   30    HE2  PHE   3           HE1      PHE   3  20.503   0.800   5.437
   31    HZ   PHE   3           HZ       PHE   3  21.588   2.873   6.243
   32    H    TYR   4           HN       TYR   4  20.504   6.250   0.143
   33    HA   TYR   4           HA       TYR   4  23.173   5.107  -0.463
   34    HB2  TYR   4           HB2      TYR   4  21.867   7.510  -1.705
   35    HB3  TYR   4           HB1      TYR   4  23.585   7.162  -1.851
   36    HD1  TYR   4           HD1      TYR   4  20.300   5.320  -2.231
   37    HD2  TYR   4           HD2      TYR   4  24.265   6.034  -3.751
   38    HE1  TYR   4           HE1      TYR   4  19.853   3.806  -4.151
   39    HE2  TYR   4           HE2      TYR   4  23.797   4.541  -5.665
   40    HH   TYR   4           HH       TYR   4  20.636   2.939  -6.030
   41    H    GLU   5           HN       GLU   5  23.648   5.308   1.835
   42    HA   GLU   5           HA       GLU   5  24.526   8.078   2.493
   43    HB2  GLU   5           HB2      GLU   5  23.623   6.016   4.515
   44    HB3  GLU   5           HB1      GLU   5  24.444   7.507   4.914
   45    HG2  GLU   5           HG2      GLU   5  22.090   7.818   5.311
   46    HG3  GLU   5           HG1      GLU   5  22.536   8.778   3.915
   47    H    LYS   6           HN       LYS   6  26.337   8.027   4.155
   48    HA   LYS   6           HA       LYS   6  28.310   5.975   3.324
   49    HB2  LYS   6           HB2      LYS   6  30.000   7.637   3.948
   50    HB3  LYS   6           HB1      LYS   6  28.926   8.270   2.704
   51    HG2  LYS   6           HG2      LYS   6  27.584   9.396   4.483
   52    HG3  LYS   6           HG1      LYS   6  28.736   8.832   5.684
   53    HD2  LYS   6           HD2      LYS   6  29.382  10.681   3.366
   54    HD3  LYS   6           HD1      LYS   6  29.169  11.179   5.039
   55    HE2  LYS   6           HE2      LYS   6  31.353   9.337   3.995
   56    HE3  LYS   6           HE1      LYS   6  31.546  11.000   4.516
   57    HZ1  LYS   6           HZ1      LYS   6  30.744   8.699   6.197
   58    HZ2  LYS   6           HZ2      LYS   6  30.672  10.316   6.714
   59    HZ3  LYS   6           HZ3      LYS   6  32.166   9.615   6.313
   60    HAC  4G6   7           HAC      4G6   7  31.895   6.092   8.251
   61    HAB  4G6   7           HAB      4G6   7  31.673   6.241   6.491
   62    HAA  4G6   7           HAA      4G6   7  30.381   6.761   7.598
   63    HAF  4G6   7           HAF      4G6   7  31.704   4.029   9.123
   64    HAD  4G6   7           HAD      4G6   7  30.317   2.976   8.757
   65    HAE  4G6   7           HAE      4G6   7  30.052   4.578   9.484
   66    HAL  4G6   7           HAL      4G6   7  32.163   4.126   6.051
   67    HAH  4G6   7           HAH      4G6   7  28.596   5.420   7.704
   68    HAG  4G6   7           HAG      4G6   7  28.631   3.758   7.082
   69    H    4G6   7           H          4G6   7  29.389   4.798   4.877
   70    HA   DPR   8           HA       PRO   8  32.720   2.230   5.056
   71    HB2  DPR   8           HB2      PRO   8  32.581   0.129   6.041
   72    HB3  DPR   8           HB1      PRO   8  30.814   0.055   5.877
   73    HG2  DPR   8           HG2      PRO   8  32.931  -0.549   3.873
   74    HG3  DPR   8           HG1      PRO   8  31.336  -1.288   4.085
   75    HD2  DPR   8           HD2      PRO   8  31.983   0.654   2.151
   76    HD3  DPR   8           HD1      PRO   8  30.334   0.222   2.656
   77    H    VAL   9           HN       VAL   9  28.212   3.969   1.723
   78    HA   VAL   9           HA       VAL   9  30.372   2.051   1.217
   79    HB   VAL   9           HB       VAL   9  30.388   5.069   1.447
   80   HG11  VAL   9          HG11      VAL   9  32.594   4.271   1.868
   81   HG12  VAL   9          HG12      VAL   9  32.573   4.740   0.168
   82   HG13  VAL   9          HG13      VAL   9  32.464   3.037   0.614
   83   HG21  VAL   9          HG21      VAL   9  29.009   4.124  -0.439
   84   HG22  VAL   9          HG22      VAL   9  30.459   3.307  -1.024
   85   HG23  VAL   9          HG23      VAL   9  30.396   5.068  -0.985
   86    H    GLN  10           HN       GLN  10  26.130   0.684   0.183
   87    HA   GLN  10           HA       GLN  10  26.215   3.330   1.460
   88    HB2  GLN  10           HB2      GLN  10  26.092   2.451   3.710
   89    HB3  GLN  10           HB1      GLN  10  24.634   2.012   2.836
   90    HG2  GLN  10           HG2      GLN  10  27.001   0.189   3.361
   91    HG3  GLN  10           HG1      GLN  10  25.462   0.140   4.197
   92   HE21  GLN  10          HE21      GLN  10  24.064  -1.388   3.407
   93   HE22  GLN  10          HE22      GLN  10  24.065  -1.996   1.824
   94    H    LYS  11           HN       LYS  11  22.295   1.905  -1.206
   95    HA   LYS  11           HA       LYS  11  24.790   0.334  -1.490
   96    HB2  LYS  11           HB2      LYS  11  24.146   1.438  -3.585
   97    HB3  LYS  11           HB1      LYS  11  24.071   2.996  -2.775
   98    HG2  LYS  11           HG2      LYS  11  26.499   2.718  -2.169
   99    HG3  LYS  11           HG1      LYS  11  26.518   1.249  -3.136
  100    HD2  LYS  11           HD2      LYS  11  25.888   4.007  -4.211
  101    HD3  LYS  11           HD1      LYS  11  27.437   3.194  -4.366
  102    HE2  LYS  11           HE2      LYS  11  26.187   2.939  -6.438
  103    HE3  LYS  11           HE1      LYS  11  26.314   1.372  -5.650
  104    HZ1  LYS  11           HZ1      LYS  11  23.990   2.818  -4.837
  105    HZ2  LYS  11           HZ2      LYS  11  24.125   1.240  -5.451
  106    HZ3  LYS  11           HZ3      LYS  11  24.024   2.564  -6.512
  107    H    PHE  12           HN       PHE  12  20.041  -1.571  -2.538
  108    HA   PHE  12           HA       PHE  12  20.482   1.032  -1.185
  109    HB2  PHE  12           HB2      PHE  12  20.485  -1.783  -0.088
  110    HB3  PHE  12           HB1      PHE  12  20.917  -0.360   0.842
  111    HD1  PHE  12           HD2      PHE  12  18.355   0.904  -1.202
  112    HD2  PHE  12           HD1      PHE  12  18.923  -1.852   2.055
  113    HE1  PHE  12           HE2      PHE  12  16.044   1.221  -0.540
  114    HE2  PHE  12           HE1      PHE  12  16.558  -1.496   2.714
  115    HZ   PHE  12           HZ       PHE  12  15.130   0.048   1.391
  116    H    ILE  13           HN       ILE  13  16.739  -0.149  -3.750
  117    HA   ILE  13           HA       ILE  13  19.240  -1.466  -4.695
  118    HB   ILE  13           HB       ILE  13  18.185   1.263  -5.485
  119   HG12  ILE  13          HG12      ILE  13  16.952  -0.558  -6.586
  120   HG13  ILE  13          HG11      ILE  13  17.978   0.282  -7.743
  121   HG21  ILE  13          HG21      ILE  13  20.686  -0.245  -6.295
  122   HG22  ILE  13          HG22      ILE  13  20.620   1.239  -5.347
  123   HG23  ILE  13          HG23      ILE  13  20.130   1.253  -7.039
  124   HD11  ILE  13          HD11      ILE  13  18.561  -1.863  -8.305
  125   HD12  ILE  13          HD12      ILE  13  18.167  -2.503  -6.715
  126   HD13  ILE  13          HD13      ILE  13  19.699  -1.678  -6.974
  127    H    ARG  14           HN       ARG  14  15.631  -4.399  -3.471
  128    HA   ARG  14           HA       ARG  14  14.752  -1.693  -4.317
  129    HB2  ARG  14           HB2      ARG  14  15.998  -2.414  -1.648
  130    HB3  ARG  14           HB1      ARG  14  15.508  -0.814  -2.167
  131    HG2  ARG  14           HG2      ARG  14  13.643  -3.158  -1.749
  132    HG3  ARG  14           HG1      ARG  14  13.882  -1.839  -0.612
  133    HD2  ARG  14           HD2      ARG  14  13.059  -0.244  -2.338
  134    HD3  ARG  14           HD1      ARG  14  12.745  -1.599  -3.412
  135    HE   ARG  14           HE       ARG  14  11.492  -2.123  -0.967
  136   HH11  ARG  14          HH21      ARG  14  11.335   0.043  -3.663
  137   HH12  ARG  14          HH22      ARG  14   9.628   0.306  -3.529
  138   HH21  ARG  14          HH11      ARG  14   9.252  -1.780  -0.786
  139   HH22  ARG  14          HH12      ARG  14   8.449  -0.724  -1.901
  140    H    VAL  15           HN       VAL  15  11.577  -5.713  -4.821
  141    HA   VAL  15           HA       VAL  15  14.332  -6.115  -3.831
  142    HB   VAL  15           HB       VAL  15  14.996  -5.864  -6.182
  143   HG11  VAL  15          HG11      VAL  15  13.350  -7.819  -7.088
  144   HG12  VAL  15          HG12      VAL  15  12.978  -7.915  -5.371
  145   HG13  VAL  15          HG13      VAL  15  14.634  -8.132  -5.926
  146   HG21  VAL  15          HG21      VAL  15  13.441  -4.303  -7.050
  147   HG22  VAL  15          HG22      VAL  15  12.054  -5.260  -6.529
  148   HG23  VAL  15          HG23      VAL  15  13.047  -5.808  -7.879
  149    H8   4FU  16           HAM      4FU  16   8.837  -7.949  -3.508
  150    H9   4FU  16           HAI      4FU  16  10.973  -6.995  -5.454
  151    HAI  4FU  16           HAJ      4FU  16   9.516  -7.923  -5.865
  152   H112  4FU  16          HAE       4FU  16   8.078  -6.126  -5.035
  153   H111  4FU  16          HAF       4FU  16   9.186  -5.515  -6.284
  154    HAG  4FU  16           HAG      4FU  16  10.666  -4.583  -4.554
  155    H12  4FU  16           HAH      4FU  16   9.009  -3.988  -4.341
  156    HAL  4FU  16           HAL      4FU  16   8.576  -5.642  -2.610
  157    HAK  4FU  16           HAK      4FU  16  10.016  -4.693  -2.185
  158    H14  4FU  16           HAN      4FU  16  10.320  -7.106  -1.764
  159    H    GLY  17           HN       GLY  17  11.240  -8.957  -5.547
  160    HA2  GLY  17           HA2      GLY  17  11.522 -11.514  -4.472
  161    HA3  GLY  17           HA1      GLY  17  12.681 -10.765  -5.571
  162    H    VAL  18           HN       VAL  18  14.088  -9.031  -4.482
  163    HA   VAL  18           HA       VAL  18  14.526  -9.078  -1.715
  164    HB   VAL  18           HB       VAL  18  15.342 -11.364  -2.089
  165   HG11  VAL  18          HG11      VAL  18  15.972 -10.961  -4.495
  166   HG12  VAL  18          HG12      VAL  18  17.203 -11.816  -3.566
  167   HG13  VAL  18          HG13      VAL  18  17.400 -10.099  -3.920
  168   HG21  VAL  18          HG21      VAL  18  16.484  -9.718  -0.474
  169   HG22  VAL  18          HG22      VAL  18  17.749  -9.576  -1.695
  170   HG23  VAL  18          HG23      VAL  18  17.418 -11.138  -0.946
  171    H    THR  19           HN       THR  19  16.430  -7.867  -1.044
  172    HA   THR  19           HA       THR  19  17.467  -6.089  -3.187
  173    HB   THR  19           HB       THR  19  15.838  -4.898  -1.803
  174    HG1  THR  19           HG1      THR  19  18.452  -4.133  -1.050
  175   HG21  THR  19          HG21      THR  19  17.654  -5.624   0.511
  176   HG22  THR  19          HG22      THR  19  16.035  -6.268   0.238
  177   HG23  THR  19          HG23      THR  19  16.253  -4.556   0.593
  178    H    ILE  20           HN       ILE  20  19.534  -5.167  -2.833
  179    HA   ILE  20           HA       ILE  20  21.301  -6.822  -1.139
  180    HB   ILE  20           HB       ILE  20  21.900  -5.255  -3.661
  181   HG12  ILE  20          HG12      ILE  20  21.731  -8.244  -3.142
  182   HG13  ILE  20          HG11      ILE  20  20.511  -7.297  -3.994
  183   HG21  ILE  20          HG21      ILE  20  23.831  -5.330  -2.184
  184   HG22  ILE  20          HG22      ILE  20  24.088  -6.473  -3.496
  185   HG23  ILE  20          HG23      ILE  20  23.594  -7.053  -1.907
  186   HD11  ILE  20          HD11      ILE  20  22.299  -6.615  -5.635
  187   HD12  ILE  20          HD12      ILE  20  21.924  -8.338  -5.654
  188   HD13  ILE  20          HD13      ILE  20  23.381  -7.762  -4.845
  189    H    ARG  21           HN       ARG  21  22.260  -5.877   0.506
  190    HA   ARG  21           HA       ARG  21  22.397  -2.917   0.657
  191    HB2  ARG  21           HB2      ARG  21  20.880  -3.979   2.273
  192    HB3  ARG  21           HB1      ARG  21  22.173  -5.047   2.807
  193    HG2  ARG  21           HG2      ARG  21  23.450  -3.142   3.615
  194    HG3  ARG  21           HG1      ARG  21  22.207  -2.028   3.029
  195    HD2  ARG  21           HD2      ARG  21  21.793  -4.202   5.096
  196    HD3  ARG  21           HD1      ARG  21  21.978  -2.488   5.457
  197    HE   ARG  21           HE       ARG  21  19.876  -2.782   3.608
  198   HH11  ARG  21          HH21      ARG  21  20.719  -3.557   6.872
  199   HH12  ARG  21          HH22      ARG  21  19.087  -3.521   7.449
  200   HH21  ARG  21          HH11      ARG  21  17.731  -2.733   4.357
  201   HH22  ARG  21          HH12      ARG  21  17.395  -3.055   6.025
  202    H    GLU  22           HN       GLU  22  24.481  -2.908  -0.442
  203    HA   GLU  22           HA       GLU  22  26.720  -3.273   1.372
  204    HB2  GLU  22           HB2      GLU  22  26.674  -4.867  -1.211
  205    HB3  GLU  22           HB1      GLU  22  28.038  -4.726  -0.115
  206    HG2  GLU  22           HG2      GLU  22  26.688  -5.817   1.671
  207    HG3  GLU  22           HG1      GLU  22  25.380  -6.028   0.510
  208    H    LYS  23           HN       LYS  23  28.841  -2.559   0.266
  209    HA   LYS  23           HA       LYS  23  30.009  -0.895  -0.774
  210    HB2  LYS  23           HB2      LYS  23  28.056  -1.559  -2.978
  211    HB3  LYS  23           HB1      LYS  23  29.403  -0.453  -3.182
  212    HG2  LYS  23           HG2      LYS  23  29.929  -2.712  -4.012
  213    HG3  LYS  23           HG1      LYS  23  30.980  -2.252  -2.681
  214    HD2  LYS  23           HD2      LYS  23  29.731  -3.615  -1.144
  215    HD3  LYS  23           HD1      LYS  23  28.508  -3.977  -2.369
  216    HE2  LYS  23           HE2      LYS  23  30.110  -5.828  -2.150
  217    HE3  LYS  23           HE1      LYS  23  30.262  -5.059  -3.730
  218    HZ1  LYS  23           HZ1      LYS  23  32.238  -4.079  -3.173
  219    HZ2  LYS  23           HZ2      LYS  23  32.365  -5.538  -2.312
  220    HZ3  LYS  23           HZ3      LYS  23  31.926  -4.108  -1.507
  221    HN1  NH2  24           H2       LYS  23  28.601   2.278  -0.526
  222    HN2  NH2  24           H1       LYS  23  29.991   1.310  -0.496
  Start of MODEL    4
    1    H1   ACE   0           HA2      ACE   0  11.155  -2.136   1.420
    2    H2   ACE   0           HA3      ACE   0  12.744  -2.079   2.184
    3    H3   ACE   0           HA1      ACE   0  12.550  -2.852   0.610
    4    H    GLU   1           HN       GLU   1  12.902   0.149   2.315
    5    HA   GLU   1           HA       GLU   1  12.383   1.867   0.078
    6    HB2  GLU   1           HB2      GLU   1  13.313   3.642   1.517
    7    HB3  GLU   1           HB1      GLU   1  12.098   2.682   2.361
    8    HG2  GLU   1           HG2      GLU   1  13.880   1.351   3.421
    9    HG3  GLU   1           HG1      GLU   1  15.099   2.304   2.578
   10    H    ARG   2           HN       ARG   2  14.489   3.659   0.130
   11    HA   ARG   2           HA       ARG   2  16.634   2.098  -1.197
   12    HB2  ARG   2           HB2      ARG   2  15.945   5.033  -1.525
   13    HB3  ARG   2           HB1      ARG   2  17.196   4.167  -2.390
   14    HG2  ARG   2           HG2      ARG   2  15.304   4.456  -3.862
   15    HG3  ARG   2           HG1      ARG   2  15.417   2.754  -3.443
   16    HD2  ARG   2           HD2      ARG   2  13.585   2.976  -1.859
   17    HD3  ARG   2           HD1      ARG   2  13.549   4.719  -2.078
   18    HE   ARG   2           HE       ARG   2  12.244   4.326  -3.941
   19   HH11  ARG   2          HH21      ARG   2  14.064   1.496  -3.150
   20   HH12  ARG   2          HH22      ARG   2  13.467   0.574  -4.489
   21   HH21  ARG   2          HH11      ARG   2  11.457   3.126  -5.692
   22   HH22  ARG   2          HH12      ARG   2  11.993   1.495  -5.927
   23    H    PHE   3           HN       PHE   3  18.809   2.589  -0.745
   24    HA   PHE   3           HA       PHE   3  19.412   4.722   1.147
   25    HB2  PHE   3           HB2      PHE   3  18.936   2.716   2.569
   26    HB3  PHE   3           HB1      PHE   3  20.226   1.857   1.745
   27    HD1  PHE   3           HD2      PHE   3  21.353   5.255   2.010
   28    HD2  PHE   3           HD1      PHE   3  20.690   1.716   4.381
   29    HE1  PHE   3           HE2      PHE   3  22.908   6.095   3.701
   30    HE2  PHE   3           HE1      PHE   3  22.266   2.590   6.080
   31    HZ   PHE   3           HZ       PHE   3  23.377   4.774   5.738
   32    H    TYR   4           HN       TYR   4  20.844   5.777  -0.034
   33    HA   TYR   4           HA       TYR   4  22.438   4.598  -2.086
   34    HB2  TYR   4           HB2      TYR   4  21.541   6.844  -2.277
   35    HB3  TYR   4           HB1      TYR   4  22.470   7.362  -0.876
   36    HD1  TYR   4           HD1      TYR   4  23.066   5.565  -4.133
   37    HD2  TYR   4           HD2      TYR   4  24.475   8.479  -1.314
   38    HE1  TYR   4           HE1      TYR   4  24.978   6.091  -5.624
   39    HE2  TYR   4           HE2      TYR   4  26.389   8.993  -2.797
   40    HH   TYR   4           HH       TYR   4  26.533   8.315  -5.907
   41    H    GLU   5           HN       GLU   5  24.676   4.984  -2.356
   42    HA   GLU   5           HA       GLU   5  26.397   3.729  -0.632
   43    HB2  GLU   5           HB2      GLU   5  26.987   5.821  -2.724
   44    HB3  GLU   5           HB1      GLU   5  28.209   4.827  -1.954
   45    HG2  GLU   5           HG2      GLU   5  27.609   3.936  -4.155
   46    HG3  GLU   5           HG1      GLU   5  27.180   2.813  -2.896
   47    H    LYS   6           HN       LYS   6  24.928   6.247   0.633
   48    HA   LYS   6           HA       LYS   6  27.366   7.670   1.530
   49    HB2  LYS   6           HB2      LYS   6  25.830   9.408   2.306
   50    HB3  LYS   6           HB1      LYS   6  25.671   9.118   0.578
   51    HG2  LYS   6           HG2      LYS   6  23.719   7.620   1.068
   52    HG3  LYS   6           HG1      LYS   6  23.839   8.073   2.759
   53    HD2  LYS   6           HD2      LYS   6  23.311   9.991   0.473
   54    HD3  LYS   6           HD1      LYS   6  22.102   9.389   1.600
   55    HE2  LYS   6           HE2      LYS   6  24.495  11.124   2.310
   56    HE3  LYS   6           HE1      LYS   6  22.816  11.626   2.259
   57    HZ1  LYS   6           HZ1      LYS   6  23.038  11.150   4.456
   58    HZ2  LYS   6           HZ2      LYS   6  24.159   9.898   4.204
   59    HZ3  LYS   6           HZ3      LYS   6  22.510   9.641   3.887
   60    HAC  4G6   7           HAC      4G6   7  27.850   8.871   6.406
   61    HAB  4G6   7           HAB      4G6   7  29.627   8.812   6.484
   62    HAA  4G6   7           HAA      4G6   7  28.806   8.859   4.905
   63    HAF  4G6   7           HAF      4G6   7  29.752   6.312   7.673
   64    HAD  4G6   7           HAD      4G6   7  28.190   5.497   7.412
   65    HAE  4G6   7           HAE      4G6   7  28.233   7.178   8.001
   66    HAL  4G6   7           HAL      4G6   7  30.291   7.014   4.479
   67    HAH  4G6   7           HAH      4G6   7  26.547   6.946   5.798
   68    HAG  4G6   7           HAG      4G6   7  27.323   5.436   5.271
   69    H    4G6   7           H          4G6   7  28.166   7.358   3.430
   70    HA   DPR   8           HA       PRO   8  31.903   5.683   3.977
   71    HB2  DPR   8           HB2      PRO   8  33.358   4.717   5.491
   72    HB3  DPR   8           HB1      PRO   8  32.117   3.627   6.140
   73    HG2  DPR   8           HG2      PRO   8  33.901   3.280   3.781
   74    HG3  DPR   8           HG1      PRO   8  33.272   2.068   4.908
   75    HD2  DPR   8           HD2      PRO   8  32.274   2.437   2.366
   76    HD3  DPR   8           HD1      PRO   8  31.310   1.779   3.701
   77    H    VAL   9           HN       VAL   9  27.627   3.705   1.896
   78    HA   VAL   9           HA       VAL   9  30.053   2.105   1.716
   79    HB   VAL   9           HB       VAL   9  29.678   4.528  -0.076
   80   HG11  VAL   9          HG11      VAL   9  31.993   2.604   0.065
   81   HG12  VAL   9          HG12      VAL   9  31.977   4.185   0.850
   82   HG13  VAL   9          HG13      VAL   9  31.882   4.070  -0.905
   83   HG21  VAL   9          HG21      VAL   9  28.461   2.692  -1.022
   84   HG22  VAL   9          HG22      VAL   9  29.790   1.579  -0.705
   85   HG23  VAL   9          HG23      VAL   9  29.967   2.847  -1.918
   86    H    GLN  10           HN       GLN  10  25.443  -0.150   0.705
   87    HA   GLN  10           HA       GLN  10  25.611   2.769   1.224
   88    HB2  GLN  10           HB2      GLN  10  26.165   0.396   3.007
   89    HB3  GLN  10           HB1      GLN  10  26.137   2.089   3.500
   90    HG2  GLN  10           HG2      GLN  10  23.768   2.253   2.865
   91    HG3  GLN  10           HG1      GLN  10  23.787   0.574   2.326
   92   HE21  GLN  10          HE21      GLN  10  25.824   0.693   4.964
   93   HE22  GLN  10          HE22      GLN  10  24.716   0.277   6.181
   94    H    LYS  11           HN       LYS  11  21.994   0.827  -1.459
   95    HA   LYS  11           HA       LYS  11  24.371  -0.879  -1.022
   96    HB2  LYS  11           HB2      LYS  11  23.607  -0.483  -3.391
   97    HB3  LYS  11           HB1      LYS  11  23.854   1.228  -3.135
   98    HG2  LYS  11           HG2      LYS  11  25.794   0.313  -4.291
   99    HG3  LYS  11           HG1      LYS  11  26.236   0.840  -2.683
  100    HD2  LYS  11           HD2      LYS  11  27.319  -1.287  -3.253
  101    HD3  LYS  11           HD1      LYS  11  26.252  -1.483  -1.884
  102    HE2  LYS  11           HE2      LYS  11  24.525  -2.460  -3.360
  103    HE3  LYS  11           HE1      LYS  11  25.571  -2.200  -4.756
  104    HZ1  LYS  11           HZ1      LYS  11  25.643  -4.478  -3.836
  105    HZ2  LYS  11           HZ2      LYS  11  26.286  -3.851  -2.394
  106    HZ3  LYS  11           HZ3      LYS  11  27.158  -3.714  -3.846
  107    H    PHE  12           HN       PHE  12  20.000  -2.285  -1.298
  108    HA   PHE  12           HA       PHE  12  20.207   0.426  -0.110
  109    HB2  PHE  12           HB2      PHE  12  20.358  -2.178   1.421
  110    HB3  PHE  12           HB1      PHE  12  20.690  -0.589   2.086
  111    HD1  PHE  12           HD1      PHE  12  17.993  -2.396   0.164
  112    HD2  PHE  12           HD2      PHE  12  18.950   0.490   3.202
  113    HE1  PHE  12           HE1      PHE  12  15.585  -2.069   0.614
  114    HE2  PHE  12           HE2      PHE  12  16.536   0.802   3.659
  115    HZ   PHE  12           HZ       PHE  12  14.860  -0.475   2.361
  116    H    ILE  13           HN       ILE  13  16.117  -1.167  -1.957
  117    HA   ILE  13           HA       ILE  13  18.468  -2.678  -2.710
  118    HB   ILE  13           HB       ILE  13  19.367  -1.014  -4.290
  119   HG12  ILE  13          HG12      ILE  13  18.024   0.944  -3.690
  120   HG13  ILE  13          HG11      ILE  13  17.844   0.580  -5.396
  121   HG21  ILE  13          HG21      ILE  13  18.190  -3.109  -5.025
  122   HG22  ILE  13          HG22      ILE  13  18.214  -1.814  -6.220
  123   HG23  ILE  13          HG23      ILE  13  16.748  -2.131  -5.297
  124   HD11  ILE  13          HD11      ILE  13  15.747  -0.824  -4.515
  125   HD12  ILE  13          HD12      ILE  13  15.639   0.898  -4.846
  126   HD13  ILE  13          HD13      ILE  13  15.847   0.335  -3.189
  127    H    ARG  14           HN       ARG  14  13.967  -2.690  -4.641
  128    HA   ARG  14           HA       ARG  14  14.187  -2.295  -1.813
  129    HB2  ARG  14           HB2      ARG  14  13.016  -4.478  -2.036
  130    HB3  ARG  14           HB1      ARG  14  14.376  -5.025  -3.005
  131    HG2  ARG  14           HG2      ARG  14  15.877  -4.777  -1.156
  132    HG3  ARG  14           HG1      ARG  14  14.609  -4.043  -0.181
  133    HD2  ARG  14           HD2      ARG  14  14.809  -6.369   0.469
  134    HD3  ARG  14           HD1      ARG  14  13.287  -6.102  -0.372
  135    HE   ARG  14           HE       ARG  14  15.436  -7.821  -1.225
  136   HH11  ARG  14          HH21      ARG  14  12.519  -6.180  -2.099
  137   HH12  ARG  14          HH22      ARG  14  12.418  -6.916  -3.663
  138   HH21  ARG  14          HH11      ARG  14  15.297  -8.802  -3.252
  139   HH22  ARG  14          HH12      ARG  14  13.988  -8.402  -4.315
  140    H    VAL  15           HN       VAL  15  11.197  -4.471  -4.801
  141    HA   VAL  15           HA       VAL  15  11.983  -1.790  -5.555
  142    HB   VAL  15           HB       VAL  15   9.641  -2.049  -3.622
  143   HG11  VAL  15          HG11      VAL  15  11.446   0.240  -4.403
  144   HG12  VAL  15          HG12      VAL  15  11.093  -0.364  -2.786
  145   HG13  VAL  15          HG13      VAL  15   9.859   0.515  -3.688
  146   HG21  VAL  15          HG21      VAL  15   8.578  -0.389  -5.259
  147   HG22  VAL  15          HG22      VAL  15   8.699  -2.041  -5.834
  148   HG23  VAL  15          HG23      VAL  15   9.852  -0.821  -6.391
  149    H8   4FU  16           HAM      4FU  16  10.982  -6.165  -5.344
  150    H9   4FU  16           HAI      4FU  16  11.254  -8.339  -6.473
  151    HAI  4FU  16           HAJ      4FU  16   9.569  -7.779  -6.552
  152   H112  4FU  16          HAE       4FU  16  10.279  -8.657  -8.731
  153   H111  4FU  16          HAF       4FU  16  11.642  -7.516  -8.761
  154    HAG  4FU  16           HAG      4FU  16   9.757  -6.654 -10.098
  155    H12  4FU  16           HAH      4FU  16   8.688  -6.797  -8.684
  156    HAL  4FU  16           HAL      4FU  16   9.482  -4.483  -8.968
  157    HAK  4FU  16           HAK      4FU  16  11.170  -5.037  -8.876
  158    H14  4FU  16           HAN      4FU  16   9.071  -5.376  -6.703
  159    H    GLY  17           HN       GLY  17  12.496  -4.111  -6.131
  160    HA2  GLY  17           HA2      GLY  17  14.427  -4.233  -8.047
  161    HA3  GLY  17           HA1      GLY  17  14.754  -3.650  -6.411
  162    H    VAL  18           HN       VAL  18  15.545  -5.128  -4.827
  163    HA   VAL  18           HA       VAL  18  15.905  -7.833  -5.345
  164    HB   VAL  18           HB       VAL  18  17.550  -7.149  -7.023
  165   HG11  VAL  18          HG11      VAL  18  18.637  -5.496  -4.748
  166   HG12  VAL  18          HG12      VAL  18  18.266  -5.003  -6.397
  167   HG13  VAL  18          HG13      VAL  18  19.684  -5.998  -6.073
  168   HG21  VAL  18          HG21      VAL  18  17.959  -9.135  -5.414
  169   HG22  VAL  18          HG22      VAL  18  19.160  -8.092  -4.651
  170   HG23  VAL  18          HG23      VAL  18  19.331  -8.541  -6.346
  171    H    THR  19           HN       THR  19  17.407  -8.912  -3.734
  172    HA   THR  19           HA       THR  19  17.321  -7.413  -1.174
  173    HB   THR  19           HB       THR  19  15.953  -9.480  -1.232
  174    HG1  THR  19           HG1      THR  19  17.989  -8.930   0.447
  175   HG21  THR  19          HG21      THR  19  17.950 -10.562  -2.807
  176   HG22  THR  19          HG22      THR  19  16.719 -11.509  -1.977
  177   HG23  THR  19          HG23      THR  19  18.298 -11.278  -1.236
  178    H    ILE  20           HN       ILE  20  19.340  -6.382  -1.429
  179    HA   ILE  20           HA       ILE  20  21.580  -7.935  -0.548
  180    HB   ILE  20           HB       ILE  20  21.626  -8.502  -2.951
  181   HG12  ILE  20          HG12      ILE  20  23.939  -7.757  -3.431
  182   HG13  ILE  20          HG11      ILE  20  23.829  -6.568  -2.139
  183   HG21  ILE  20          HG21      ILE  20  21.825  -6.832  -4.644
  184   HG22  ILE  20          HG22      ILE  20  22.087  -5.557  -3.454
  185   HG23  ILE  20          HG23      ILE  20  20.499  -6.309  -3.605
  186   HD11  ILE  20          HD11      ILE  20  24.934  -8.921  -1.681
  187   HD12  ILE  20          HD12      ILE  20  23.262  -9.453  -1.508
  188   HD13  ILE  20          HD13      ILE  20  23.899  -8.185  -0.461
  189    H    ARG  21           HN       ARG  21  23.317  -6.620   0.167
  190    HA   ARG  21           HA       ARG  21  23.231  -3.767  -0.310
  191    HB2  ARG  21           HB2      ARG  21  22.972  -3.137   2.041
  192    HB3  ARG  21           HB1      ARG  21  21.575  -4.052   1.489
  193    HG2  ARG  21           HG2      ARG  21  22.490  -6.092   2.510
  194    HG3  ARG  21           HG1      ARG  21  23.888  -5.179   3.078
  195    HD2  ARG  21           HD2      ARG  21  20.996  -4.652   3.822
  196    HD3  ARG  21           HD1      ARG  21  22.217  -5.366   4.870
  197    HE   ARG  21           HE       ARG  21  21.831  -2.583   4.398
  198   HH11  ARG  21          HH21      ARG  21  24.272  -5.004   4.844
  199   HH12  ARG  21          HH22      ARG  21  25.457  -3.886   5.434
  200   HH21  ARG  21          HH11      ARG  21  23.381  -1.129   5.175
  201   HH22  ARG  21          HH12      ARG  21  24.953  -1.699   5.623
  202    H    GLU  22           HN       GLU  22  25.095  -2.631   0.582
  203    HA   GLU  22           HA       GLU  22  27.177  -4.182   1.792
  204    HB2  GLU  22           HB2      GLU  22  27.415  -4.937  -0.498
  205    HB3  GLU  22           HB1      GLU  22  27.455  -3.279  -1.070
  206    HG2  GLU  22           HG2      GLU  22  29.708  -4.218  -1.000
  207    HG3  GLU  22           HG1      GLU  22  29.556  -2.901   0.146
  208    H    LYS  23           HN       LYS  23  29.061  -2.974   2.361
  209    HA   LYS  23           HA       LYS  23  28.489  -0.177   2.877
  210    HB2  LYS  23           HB2      LYS  23  30.728  -1.963   3.865
  211    HB3  LYS  23           HB1      LYS  23  30.476  -0.299   4.354
  212    HG2  LYS  23           HG2      LYS  23  29.636  -1.785   6.075
  213    HG3  LYS  23           HG1      LYS  23  28.280  -0.959   5.321
  214    HD2  LYS  23           HD2      LYS  23  27.743  -2.939   4.016
  215    HD3  LYS  23           HD1      LYS  23  29.186  -3.765   4.603
  216    HE2  LYS  23           HE2      LYS  23  28.295  -3.609   6.896
  217    HE3  LYS  23           HE1      LYS  23  26.855  -2.801   6.274
  218    HZ1  LYS  23           HZ1      LYS  23  26.022  -4.835   6.028
  219    HZ2  LYS  23           HZ2      LYS  23  27.531  -5.581   6.259
  220    HZ3  LYS  23           HZ3      LYS  23  27.087  -5.016   4.720
  221    HN1  NH2  24           H2       LYS  23  30.591  -0.176  -0.247
  222    HN2  NH2  24           H1       LYS  23  29.156  -0.985   0.133
  Start of MODEL    5
    1    H1   ACE   0           HA2      ACE   0  10.382  -0.828   1.471
    2    H2   ACE   0           HA3      ACE   0  11.774  -1.466   0.597
    3    H3   ACE   0           HA1      ACE   0  10.163  -1.572  -0.112
    4    H    GLU   1           HN       GLU   1  13.010   0.227   0.029
    5    HA   GLU   1           HA       GLU   1  11.986   2.188  -1.799
    6    HB2  GLU   1           HB2      GLU   1  12.515   4.160  -0.379
    7    HB3  GLU   1           HB1      GLU   1  11.181   3.196   0.244
    8    HG2  GLU   1           HG2      GLU   1  12.707   2.078   1.824
    9    HG3  GLU   1           HG1      GLU   1  14.053   3.035   1.219
   10    H    ARG   2           HN       ARG   2  14.257   3.958  -0.490
   11    HA   ARG   2           HA       ARG   2  16.542   2.573  -1.773
   12    HB2  ARG   2           HB2      ARG   2  15.771   5.496  -1.963
   13    HB3  ARG   2           HB1      ARG   2  17.243   4.793  -2.616
   14    HG2  ARG   2           HG2      ARG   2  15.904   3.303  -4.055
   15    HG3  ARG   2           HG1      ARG   2  14.427   3.998  -3.393
   16    HD2  ARG   2           HD2      ARG   2  15.084   6.217  -4.249
   17    HD3  ARG   2           HD1      ARG   2  16.568   5.530  -4.899
   18    HE   ARG   2           HE       ARG   2  15.331   4.842  -6.720
   19   HH11  ARG   2          HH21      ARG   2  13.249   5.260  -3.978
   20   HH12  ARG   2          HH22      ARG   2  11.811   4.826  -4.839
   21   HH21  ARG   2          HH11      ARG   2  13.447   4.276  -7.841
   22   HH22  ARG   2          HH12      ARG   2  11.922   4.271  -7.020
   23    H    PHE   3           HN       PHE   3  18.607   3.032  -0.922
   24    HA   PHE   3           HA       PHE   3  18.793   4.694   1.491
   25    HB2  PHE   3           HB2      PHE   3  18.148   2.430   2.270
   26    HB3  PHE   3           HB1      PHE   3  19.527   1.757   1.429
   27    HD1  PHE   3           HD2      PHE   3  20.622   4.898   2.811
   28    HD2  PHE   3           HD1      PHE   3  19.628   0.850   3.910
   29    HE1  PHE   3           HE2      PHE   3  21.985   5.107   4.841
   30    HE2  PHE   3           HE1      PHE   3  20.992   1.089   5.957
   31    HZ   PHE   3           HZ       PHE   3  22.187   3.207   6.417
   32    H    TYR   4           HN       TYR   4  20.398   6.018   0.828
   33    HA   TYR   4           HA       TYR   4  22.908   4.825  -0.219
   34    HB2  TYR   4           HB2      TYR   4  21.702   7.533  -0.816
   35    HB3  TYR   4           HB1      TYR   4  23.361   7.097  -1.204
   36    HD1  TYR   4           HD1      TYR   4  19.910   5.578  -1.614
   37    HD2  TYR   4           HD2      TYR   4  23.747   6.406  -3.375
   38    HE1  TYR   4           HE1      TYR   4  19.184   4.526  -3.744
   39    HE2  TYR   4           HE2      TYR   4  23.002   5.363  -5.489
   40    HH   TYR   4           HH       TYR   4  21.413   4.008  -6.405
   41    H    GLU   5           HN       GLU   5  24.716   5.190   0.917
   42    HA   GLU   5           HA       GLU   5  24.693   7.298   2.983
   43    HB2  GLU   5           HB2      GLU   5  24.179   5.150   4.057
   44    HB3  GLU   5           HB1      GLU   5  25.607   4.441   3.317
   45    HG2  GLU   5           HG2      GLU   5  26.056   5.027   5.650
   46    HG3  GLU   5           HG1      GLU   5  27.042   5.993   4.570
   47    H    LYS   6           HN       LYS   6  26.491   8.484   3.022
   48    HA   LYS   6           HA       LYS   6  28.867   7.535   1.526
   49    HB2  LYS   6           HB2      LYS   6  29.404   9.818   0.977
   50    HB3  LYS   6           HB1      LYS   6  27.784   9.474   0.421
   51    HG2  LYS   6           HG2      LYS   6  28.571  11.063   2.888
   52    HG3  LYS   6           HG1      LYS   6  27.881  11.702   1.415
   53    HD2  LYS   6           HD2      LYS   6  26.478   9.952   3.454
   54    HD3  LYS   6           HD1      LYS   6  26.181  11.638   3.121
   55    HE2  LYS   6           HE2      LYS   6  25.686   9.378   1.161
   56    HE3  LYS   6           HE1      LYS   6  24.464  10.269   2.053
   57    HZ1  LYS   6           HZ1      LYS   6  24.624  11.229  -0.091
   58    HZ2  LYS   6           HZ2      LYS   6  26.315  11.352   0.008
   59    HZ3  LYS   6           HZ3      LYS   6  25.330  12.321   0.997
   60    HAC  4G6   7           HAC      4G6   7  32.173   6.020   7.249
   61    HAB  4G6   7           HAB      4G6   7  32.519   7.693   6.749
   62    HAA  4G6   7           HAA      4G6   7  30.993   7.310   7.578
   63    HAF  4G6   7           HAF      4G6   7  29.439   5.641   6.477
   64    HAD  4G6   7           HAD      4G6   7  29.129   6.130   4.789
   65    HAE  4G6   7           HAE      4G6   7  29.101   7.343   6.092
   66    HAL  4G6   7           HAL      4G6   7  32.454   5.714   4.213
   67    HAH  4G6   7           HAH      4G6   7  32.247   8.025   4.328
   68    HAG  4G6   7           HAG      4G6   7  30.923   8.801   5.226
   69    H    4G6   7           H          4G6   7  30.609   7.201   2.710
   70    HA   DPR   8           HA       PRO   8  33.035   3.712   3.863
   71    HB2  DPR   8           HB2      PRO   8  33.409   2.189   5.588
   72    HB3  DPR   8           HB1      PRO   8  31.679   1.831   5.782
   73    HG2  DPR   8           HG2      PRO   8  33.611   0.807   3.755
   74    HG3  DPR   8           HG1      PRO   8  32.240  -0.015   4.519
   75    HD2  DPR   8           HD2      PRO   8  32.223   1.152   1.942
   76    HD3  DPR   8           HD1      PRO   8  30.786   0.675   2.870
   77    H    VAL   9           HN       VAL   9  27.660   3.297   1.334
   78    HA   VAL   9           HA       VAL   9  30.179   1.832   0.957
   79    HB   VAL   9           HB       VAL   9  29.391   4.660   0.228
   80   HG11  VAL   9          HG11      VAL   9  31.775   4.555   0.422
   81   HG12  VAL   9          HG12      VAL   9  31.411   4.409  -1.297
   82   HG13  VAL   9          HG13      VAL   9  31.835   2.976  -0.360
   83   HG21  VAL   9          HG21      VAL   9  29.737   2.267  -1.592
   84   HG22  VAL   9          HG22      VAL   9  29.013   3.829  -1.978
   85   HG23  VAL   9          HG23      VAL   9  28.174   2.710  -0.905
   86    H    GLN  10           HN       GLN  10  25.894  -0.277   0.764
   87    HA   GLN  10           HA       GLN  10  25.931   2.216   2.396
   88    HB2  GLN  10           HB2      GLN  10  25.044   0.145   3.477
   89    HB3  GLN  10           HB1      GLN  10  26.568  -0.664   3.140
   90    HG2  GLN  10           HG2      GLN  10  26.582   0.102   5.436
   91    HG3  GLN  10           HG1      GLN  10  27.736   1.059   4.518
   92   HE21  GLN  10          HE21      GLN  10  24.556   1.978   3.704
   93   HE22  GLN  10          HE22      GLN  10  24.433   3.323   4.732
   94    H    LYS  11           HN       LYS  11  22.428   1.577  -1.032
   95    HA   LYS  11           HA       LYS  11  24.661  -0.358  -0.950
   96    HB2  LYS  11           HB2      LYS  11  25.911   1.208  -2.410
   97    HB3  LYS  11           HB1      LYS  11  24.429   0.618  -3.137
   98    HG2  LYS  11           HG2      LYS  11  23.287   2.703  -2.601
   99    HG3  LYS  11           HG1      LYS  11  24.710   3.292  -1.757
  100    HD2  LYS  11           HD2      LYS  11  24.594   4.298  -3.983
  101    HD3  LYS  11           HD1      LYS  11  25.994   3.256  -3.862
  102    HE2  LYS  11           HE2      LYS  11  23.368   2.455  -5.151
  103    HE3  LYS  11           HE1      LYS  11  24.778   3.030  -6.033
  104    HZ1  LYS  11           HZ1      LYS  11  24.231   0.442  -4.976
  105    HZ2  LYS  11           HZ2      LYS  11  25.730   1.031  -4.434
  106    HZ3  LYS  11           HZ3      LYS  11  25.408   0.923  -6.099
  107    H    PHE  12           HN       PHE  12  19.926  -1.590  -2.042
  108    HA   PHE  12           HA       PHE  12  20.474   0.885  -0.493
  109    HB2  PHE  12           HB2      PHE  12  20.292  -1.989   0.441
  110    HB3  PHE  12           HB1      PHE  12  20.711  -0.618   1.453
  111    HD1  PHE  12           HD2      PHE  12  18.273   0.803  -0.603
  112    HD2  PHE  12           HD1      PHE  12  18.665  -2.143   2.505
  113    HE1  PHE  12           HE2      PHE  12  15.934   1.113  -0.011
  114    HE2  PHE  12           HE1      PHE  12  16.286  -1.799   3.098
  115    HZ   PHE  12           HZ       PHE  12  14.918  -0.166   1.824
  116    H    ILE  13           HN       ILE  13  16.769  -0.184  -3.132
  117    HA   ILE  13           HA       ILE  13  19.276  -1.345  -4.143
  118    HB   ILE  13           HB       ILE  13  19.881   0.739  -5.351
  119   HG12  ILE  13          HG12      ILE  13  16.948   1.428  -4.972
  120   HG13  ILE  13          HG11      ILE  13  18.289   2.302  -4.246
  121   HG21  ILE  13          HG21      ILE  13  17.311  -0.468  -6.392
  122   HG22  ILE  13          HG22      ILE  13  18.856  -1.318  -6.431
  123   HG23  ILE  13          HG23      ILE  13  18.652   0.183  -7.332
  124   HD11  ILE  13          HD11      ILE  13  17.769   3.553  -6.179
  125   HD12  ILE  13          HD12      ILE  13  17.564   2.102  -7.161
  126   HD13  ILE  13          HD13      ILE  13  19.176   2.598  -6.643
  127    H    ARG  14           HN       ARG  14  15.272  -4.257  -4.241
  128    HA   ARG  14           HA       ARG  14  14.725  -1.336  -4.293
  129    HB2  ARG  14           HB2      ARG  14  15.885  -3.054  -2.109
  130    HB3  ARG  14           HB1      ARG  14  15.494  -1.363  -1.967
  131    HG2  ARG  14           HG2      ARG  14  13.497  -3.605  -2.396
  132    HG3  ARG  14           HG1      ARG  14  13.822  -2.815  -0.860
  133    HD2  ARG  14           HD2      ARG  14  11.856  -1.792  -1.752
  134    HD3  ARG  14           HD1      ARG  14  13.169  -0.641  -1.933
  135    HE   ARG  14           HE       ARG  14  12.798  -0.714  -4.181
  136   HH11  ARG  14          HH21      ARG  14  11.706  -3.652  -2.711
  137   HH12  ARG  14          HH22      ARG  14  11.042  -4.303  -4.172
  138   HH21  ARG  14          HH11      ARG  14  11.862  -1.546  -6.098
  139   HH22  ARG  14          HH12      ARG  14  11.128  -3.115  -6.082
  140    H    VAL  15           HN       VAL  15  11.906  -4.483  -5.733
  141    HA   VAL  15           HA       VAL  15  14.503  -5.522  -5.808
  142    HB   VAL  15           HB       VAL  15  14.199  -5.750  -8.229
  143   HG11  VAL  15          HG11      VAL  15  13.940  -2.766  -8.527
  144   HG12  VAL  15          HG12      VAL  15  12.492  -3.718  -8.198
  145   HG13  VAL  15          HG13      VAL  15  13.456  -4.047  -9.636
  146   HG21  VAL  15          HG21      VAL  15  15.942  -3.338  -7.687
  147   HG22  VAL  15          HG22      VAL  15  16.183  -4.596  -8.900
  148   HG23  VAL  15          HG23      VAL  15  16.389  -4.970  -7.189
  149    H8   4FU  16           HAM      4FU  16   9.094  -8.080  -6.514
  150    H9   4FU  16           HAI      4FU  16  11.532  -8.214  -8.330
  151    HAI  4FU  16           HAJ      4FU  16  10.168  -9.350  -8.308
  152   H112  4FU  16          HAE       4FU  16   8.613  -7.558  -8.918
  153   H111  4FU  16          HAF       4FU  16   9.924  -7.689 -10.113
  154    HAG  4FU  16           HAG      4FU  16  11.112  -5.816  -9.018
  155    H12  4FU  16           HAH      4FU  16   9.475  -5.334  -9.518
  156    HAL  4FU  16           HAL      4FU  16   8.653  -5.741  -7.232
  157    HAK  4FU  16           HAK      4FU  16   9.973  -4.549  -7.223
  158    H14  4FU  16           HAN      4FU  16  10.250  -6.211  -5.421
  159    H    GLY  17           HN       GLY  17  12.552  -8.791  -6.909
  160    HA2  GLY  17           HA2      GLY  17  12.627 -10.949  -5.166
  161    HA3  GLY  17           HA1      GLY  17  14.027  -9.954  -5.567
  162    H    VAL  18           HN       VAL  18  14.822  -8.534  -4.056
  163    HA   VAL  18           HA       VAL  18  13.173  -7.759  -1.782
  164    HB   VAL  18           HB       VAL  18  15.766  -9.284  -1.377
  165   HG11  VAL  18          HG11      VAL  18  14.714  -9.137   1.092
  166   HG12  VAL  18          HG12      VAL  18  14.002  -7.664   0.438
  167   HG13  VAL  18          HG13      VAL  18  15.752  -7.861   0.469
  168   HG21  VAL  18          HG21      VAL  18  14.036 -10.857  -1.929
  169   HG22  VAL  18          HG22      VAL  18  12.864 -10.018  -0.911
  170   HG23  VAL  18          HG23      VAL  18  14.205 -10.892  -0.174
  171    H    THR  19           HN       THR  19  16.491  -7.649  -1.156
  172    HA   THR  19           HA       THR  19  16.901  -5.057  -2.448
  173    HB   THR  19           HB       THR  19  17.024  -5.378   0.569
  174    HG1  THR  19           HG1      THR  19  14.956  -5.066   0.256
  175   HG21  THR  19          HG21      THR  19  16.995  -2.671  -0.087
  176   HG22  THR  19          HG22      THR  19  18.062  -3.346  -1.314
  177   HG23  THR  19          HG23      THR  19  18.432  -3.575   0.398
  178    H    ILE  20           HN       ILE  20  19.089  -4.353  -2.428
  179    HA   ILE  20           HA       ILE  20  21.018  -6.551  -1.924
  180    HB   ILE  20           HB       ILE  20  20.803  -5.851  -4.277
  181   HG12  ILE  20          HG12      ILE  20  23.408  -4.928  -3.009
  182   HG13  ILE  20          HG11      ILE  20  23.008  -6.600  -3.407
  183   HG21  ILE  20          HG21      ILE  20  20.147  -3.464  -3.628
  184   HG22  ILE  20          HG22      ILE  20  21.258  -3.621  -4.989
  185   HG23  ILE  20          HG23      ILE  20  21.868  -3.160  -3.400
  186   HD11  ILE  20          HD11      ILE  20  24.338  -5.702  -5.218
  187   HD12  ILE  20          HD12      ILE  20  23.293  -4.285  -5.341
  188   HD13  ILE  20          HD13      ILE  20  22.681  -5.875  -5.795
  189    H    ARG  21           HN       ARG  21  22.653  -6.263  -0.584
  190    HA   ARG  21           HA       ARG  21  23.096  -3.631   0.667
  191    HB2  ARG  21           HB2      ARG  21  23.412  -6.437   1.765
  192    HB3  ARG  21           HB1      ARG  21  23.850  -4.998   2.658
  193    HG2  ARG  21           HG2      ARG  21  21.070  -5.359   1.570
  194    HG3  ARG  21           HG1      ARG  21  21.530  -6.116   3.078
  195    HD2  ARG  21           HD2      ARG  21  20.307  -3.964   3.363
  196    HD3  ARG  21           HD1      ARG  21  21.865  -3.992   4.144
  197    HE   ARG  21           HE       ARG  21  20.983  -2.195   2.084
  198   HH11  ARG  21          HH21      ARG  21  23.699  -3.556   3.743
  199   HH12  ARG  21          HH22      ARG  21  24.831  -2.411   3.104
  200   HH21  ARG  21          HH11      ARG  21  22.471  -0.681   1.274
  201   HH22  ARG  21          HH12      ARG  21  24.140  -0.795   1.713
  202    H    GLU  22           HN       GLU  22  25.118  -2.741   0.324
  203    HA   GLU  22           HA       GLU  22  27.370  -4.599   0.118
  204    HB2  GLU  22           HB2      GLU  22  28.235  -3.671  -1.975
  205    HB3  GLU  22           HB1      GLU  22  26.658  -4.416  -2.206
  206    HG2  GLU  22           HG2      GLU  22  26.696  -2.314  -3.400
  207    HG3  GLU  22           HG1      GLU  22  25.626  -2.144  -2.013
  208    H    LYS  23           HN       LYS  23  29.503  -3.485   0.017
  209    HA   LYS  23           HA       LYS  23  29.614  -1.591   2.136
  210    HB2  LYS  23           HB2      LYS  23  31.808  -2.775   0.423
  211    HB3  LYS  23           HB1      LYS  23  32.030  -1.823   1.891
  212    HG2  LYS  23           HG2      LYS  23  30.790  -3.488   3.196
  213    HG3  LYS  23           HG1      LYS  23  30.476  -4.422   1.742
  214    HD2  LYS  23           HD2      LYS  23  32.305  -5.444   3.000
  215    HD3  LYS  23           HD1      LYS  23  32.917  -4.806   1.480
  216    HE2  LYS  23           HE2      LYS  23  34.424  -4.297   3.372
  217    HE3  LYS  23           HE1      LYS  23  33.803  -2.822   2.656
  218    HZ1  LYS  23           HZ1      LYS  23  32.384  -2.465   4.430
  219    HZ2  LYS  23           HZ2      LYS  23  33.749  -3.119   5.202
  220    HZ3  LYS  23           HZ3      LYS  23  32.389  -4.093   4.906
  221    HN1  NH2  24           H2       LYS  23  29.230   0.878  -0.561
  222    HN2  NH2  24           H1       LYS  23  28.253  -0.351   0.068
  Start of MODEL    6
    1    H1   ACE   0           HA2      ACE   0  10.036  -1.123  -1.719
    2    H2   ACE   0           HA3      ACE   0   9.085  -0.643  -0.314
    3    H3   ACE   0           HA1      ACE   0  10.680  -1.363  -0.097
    4    H    GLU   1           HN       GLU   1  12.522  -0.105  -0.395
    5    HA   GLU   1           HA       GLU   1  12.349   2.602  -1.382
    6    HB2  GLU   1           HB2      GLU   1  13.068   3.673   0.719
    7    HB3  GLU   1           HB1      GLU   1  11.474   2.935   0.874
    8    HG2  GLU   1           HG2      GLU   1  12.500   0.947   1.923
    9    HG3  GLU   1           HG1      GLU   1  14.087   1.696   1.780
   10    H    ARG   2           HN       ARG   2  14.529   3.762  -0.938
   11    HA   ARG   2           HA       ARG   2  16.733   1.790  -1.233
   12    HB2  ARG   2           HB2      ARG   2  16.570   4.542  -2.517
   13    HB3  ARG   2           HB1      ARG   2  17.911   3.427  -2.652
   14    HG2  ARG   2           HG2      ARG   2  16.668   3.338  -4.709
   15    HG3  ARG   2           HG1      ARG   2  16.377   1.835  -3.851
   16    HD2  ARG   2           HD2      ARG   2  14.182   2.637  -3.136
   17    HD3  ARG   2           HD1      ARG   2  14.488   4.211  -3.836
   18    HE   ARG   2           HE       ARG   2  13.775   3.307  -5.831
   19   HH11  ARG   2          HH21      ARG   2  14.932   0.777  -3.765
   20   HH12  ARG   2          HH22      ARG   2  14.607  -0.483  -4.909
   21   HH21  ARG   2          HH11      ARG   2  13.347   1.660  -7.317
   22   HH22  ARG   2          HH12      ARG   2  13.711   0.015  -6.914
   23    H    PHE   3           HN       PHE   3  18.817   2.508  -0.467
   24    HA   PHE   3           HA       PHE   3  18.804   4.819   1.370
   25    HB2  PHE   3           HB2      PHE   3  18.319   2.802   2.730
   26    HB3  PHE   3           HB1      PHE   3  19.779   2.045   2.103
   27    HD1  PHE   3           HD1      PHE   3  18.825   5.371   3.605
   28    HD2  PHE   3           HD2      PHE   3  21.622   2.103   3.532
   29    HE1  PHE   3           HE1      PHE   3  20.157   6.467   5.380
   30    HE2  PHE   3           HE2      PHE   3  22.950   3.206   5.309
   31    HZ   PHE   3           HZ       PHE   3  22.218   5.387   6.234
   32    H    TYR   4           HN       TYR   4  20.457   6.088   0.818
   33    HA   TYR   4           HA       TYR   4  22.986   4.871  -0.137
   34    HB2  TYR   4           HB2      TYR   4  21.743   5.600  -2.100
   35    HB3  TYR   4           HB1      TYR   4  21.502   7.193  -1.388
   36    HD1  TYR   4           HD1      TYR   4  24.381   4.838  -1.994
   37    HD2  TYR   4           HD2      TYR   4  22.921   8.871  -2.176
   38    HE1  TYR   4           HE1      TYR   4  26.550   5.578  -2.927
   39    HE2  TYR   4           HE2      TYR   4  25.093   9.612  -3.110
   40    HH   TYR   4           HH       TYR   4  27.490   7.369  -4.189
   41    H    GLU   5           HN       GLU   5  24.723   5.605   0.913
   42    HA   GLU   5           HA       GLU   5  24.960   8.360   1.647
   43    HB2  GLU   5           HB2      GLU   5  23.615   7.648   3.526
   44    HB3  GLU   5           HB1      GLU   5  24.685   6.296   3.843
   45    HG2  GLU   5           HG2      GLU   5  25.137   8.114   5.403
   46    HG3  GLU   5           HG1      GLU   5  26.517   7.859   4.351
   47    H    LYS   6           HN       LYS   6  27.026   8.999   2.138
   48    HA   LYS   6           HA       LYS   6  29.153   6.996   1.634
   49    HB2  LYS   6           HB2      LYS   6  29.170   9.991   1.265
   50    HB3  LYS   6           HB1      LYS   6  30.515   8.912   0.894
   51    HG2  LYS   6           HG2      LYS   6  29.057   7.697  -0.719
   52    HG3  LYS   6           HG1      LYS   6  27.768   8.848  -0.396
   53    HD2  LYS   6           HD2      LYS   6  30.486   9.545  -1.556
   54    HD3  LYS   6           HD1      LYS   6  29.000   9.390  -2.483
   55    HE2  LYS   6           HE2      LYS   6  29.533  11.448  -0.310
   56    HE3  LYS   6           HE1      LYS   6  29.467  11.743  -2.036
   57    HZ1  LYS   6           HZ1      LYS   6  27.139  10.555  -1.715
   58    HZ2  LYS   6           HZ2      LYS   6  27.343  12.234  -1.554
   59    HZ3  LYS   6           HZ3      LYS   6  27.291  11.246  -0.173
   60    HAC  4G6   7           HAC      4G6   7  31.511   6.932   7.751
   61    HAB  4G6   7           HAB      4G6   7  32.598   5.596   7.301
   62    HAA  4G6   7           HAA      4G6   7  32.947   7.252   6.750
   63    HAF  4G6   7           HAF      4G6   7  29.835   4.760   5.441
   64    HAD  4G6   7           HAD      4G6   7  29.199   6.331   5.992
   65    HAE  4G6   7           HAE      4G6   7  30.071   5.273   7.128
   66    HAL  4G6   7           HAL      4G6   7  32.563   5.882   4.000
   67    HAH  4G6   7           HAH      4G6   7  31.931   8.212   4.945
   68    HAG  4G6   7           HAG      4G6   7  30.323   8.181   5.702
   69    H    4G6   7           H          4G6   7  30.672   6.671   3.163
   70    HA   DPR   8           HA       PRO   8  33.583   4.177   3.288
   71    HB2  DPR   8           HB2      PRO   8  34.941   2.829   4.570
   72    HB3  DPR   8           HB1      PRO   8  33.575   2.097   5.434
   73    HG2  DPR   8           HG2      PRO   8  34.775   1.360   2.807
   74    HG3  DPR   8           HG1      PRO   8  34.073   0.320   4.059
   75    HD2  DPR   8           HD2      PRO   8  32.753   0.947   1.751
   76    HD3  DPR   8           HD1      PRO   8  31.906   0.610   3.273
   77    H    VAL   9           HN       VAL   9  28.605   3.580   1.351
   78    HA   VAL   9           HA       VAL   9  30.522   1.298   1.357
   79    HB   VAL   9           HB       VAL   9  30.626   3.735  -0.449
   80   HG11  VAL   9          HG11      VAL   9  32.873   2.792   0.334
   81   HG12  VAL   9          HG12      VAL   9  32.611   2.806  -1.405
   82   HG13  VAL   9          HG13      VAL   9  32.430   1.305  -0.505
   83   HG21  VAL   9          HG21      VAL   9  28.945   2.186  -1.218
   84   HG22  VAL   9          HG22      VAL   9  30.022   0.813  -0.963
   85   HG23  VAL   9          HG23      VAL   9  30.368   1.979  -2.239
   86    H    GLN  10           HN       GLN  10  25.886   0.381   0.257
   87    HA   GLN  10           HA       GLN  10  26.500   3.123   1.193
   88    HB2  GLN  10           HB2      GLN  10  26.101   0.687   2.958
   89    HB3  GLN  10           HB1      GLN  10  26.550   2.301   3.510
   90    HG2  GLN  10           HG2      GLN  10  23.976   1.622   2.052
   91    HG3  GLN  10           HG1      GLN  10  24.114   1.846   3.793
   92   HE21  GLN  10          HE21      GLN  10  26.288   4.020   2.723
   93   HE22  GLN  10          HE22      GLN  10  25.293   5.370   2.492
   94    H    LYS  11           HN       LYS  11  22.152   1.832  -1.108
   95    HA   LYS  11           HA       LYS  11  24.574   0.191  -1.496
   96    HB2  LYS  11           HB2      LYS  11  23.737   2.778  -2.803
   97    HB3  LYS  11           HB1      LYS  11  25.257   1.937  -3.104
   98    HG2  LYS  11           HG2      LYS  11  23.998  -0.047  -3.869
   99    HG3  LYS  11           HG1      LYS  11  22.482   0.808  -3.581
  100    HD2  LYS  11           HD2      LYS  11  23.151   2.540  -5.214
  101    HD3  LYS  11           HD1      LYS  11  24.654   1.671  -5.516
  102    HE2  LYS  11           HE2      LYS  11  21.867   0.566  -5.986
  103    HE3  LYS  11           HE1      LYS  11  22.956   1.156  -7.240
  104    HZ1  LYS  11           HZ1      LYS  11  23.480  -1.033  -7.292
  105    HZ2  LYS  11           HZ2      LYS  11  23.091  -1.297  -5.659
  106    HZ3  LYS  11           HZ3      LYS  11  24.563  -0.556  -6.078
  107    H    PHE  12           HN       PHE  12  20.081  -1.910  -1.018
  108    HA   PHE  12           HA       PHE  12  20.414   0.962  -0.322
  109    HB2  PHE  12           HB2      PHE  12  20.908  -1.539   1.307
  110    HB3  PHE  12           HB1      PHE  12  21.232   0.091   1.857
  111    HD1  PHE  12           HD2      PHE  12  18.309   0.636   0.054
  112    HD2  PHE  12           HD1      PHE  12  19.629  -1.404   3.600
  113    HE1  PHE  12           HE2      PHE  12  16.069   0.801   0.967
  114    HE2  PHE  12           HE1      PHE  12  17.337  -1.202   4.525
  115    HZ   PHE  12           HZ       PHE  12  15.558  -0.101   3.185
  116    H    ILE  13           HN       ILE  13  16.544  -0.450  -2.704
  117    HA   ILE  13           HA       ILE  13  18.616  -2.493  -2.354
  118    HB   ILE  13           HB       ILE  13  19.901  -1.790  -4.328
  119   HG12  ILE  13          HG12      ILE  13  18.687  -0.590  -6.186
  120   HG13  ILE  13          HG11      ILE  13  17.432  -0.164  -5.034
  121   HG21  ILE  13          HG21      ILE  13  18.235  -3.696  -4.321
  122   HG22  ILE  13          HG22      ILE  13  18.621  -3.042  -5.910
  123   HG23  ILE  13          HG23      ILE  13  17.105  -2.606  -5.122
  124   HD11  ILE  13          HD11      ILE  13  20.128   0.583  -4.114
  125   HD12  ILE  13          HD12      ILE  13  18.655   1.557  -4.213
  126   HD13  ILE  13          HD13      ILE  13  19.667   1.345  -5.627
  127    H    ARG  14           HN       ARG  14  14.330  -3.573  -4.143
  128    HA   ARG  14           HA       ARG  14  14.461  -1.059  -2.844
  129    HB2  ARG  14           HB2      ARG  14  14.650  -1.826  -0.506
  130    HB3  ARG  14           HB1      ARG  14  13.041  -2.114  -1.161
  131    HG2  ARG  14           HG2      ARG  14  13.666  -4.469  -1.631
  132    HG3  ARG  14           HG1      ARG  14  15.256  -4.173  -0.929
  133    HD2  ARG  14           HD2      ARG  14  13.774  -5.207   0.725
  134    HD3  ARG  14           HD1      ARG  14  14.209  -3.572   1.215
  135    HE   ARG  14           HE       ARG  14  11.803  -3.468  -0.256
  136   HH11  ARG  14          HH21      ARG  14  13.103  -4.627   2.733
  137   HH12  ARG  14          HH22      ARG  14  11.611  -4.474   3.601
  138   HH21  ARG  14          HH11      ARG  14   9.844  -3.263   0.874
  139   HH22  ARG  14          HH12      ARG  14   9.766  -3.701   2.549
  140    H    VAL  15           HN       VAL  15  11.546  -4.900  -3.233
  141    HA   VAL  15           HA       VAL  15  12.593  -3.829  -5.633
  142    HB   VAL  15           HB       VAL  15  11.102  -1.862  -5.876
  143   HG11  VAL  15          HG11      VAL  15  10.823  -4.078  -7.210
  144   HG12  VAL  15          HG12      VAL  15   9.539  -2.879  -7.285
  145   HG13  VAL  15          HG13      VAL  15   9.357  -4.283  -6.250
  146   HG21  VAL  15          HG21      VAL  15   9.712  -3.190  -3.594
  147   HG22  VAL  15          HG22      VAL  15   8.649  -2.530  -4.835
  148   HG23  VAL  15          HG23      VAL  15   9.799  -1.480  -4.018
  149    H8   4FU  16           HAM      4FU  16   9.701  -9.020  -3.986
  150    H9   4FU  16           HAI      4FU  16   9.472  -7.465  -6.552
  151    HAI  4FU  16           HAJ      4FU  16   8.435  -8.756  -5.922
  152   H112  4FU  16          HAE       4FU  16   7.069  -6.996  -5.432
  153   H111  4FU  16          HAF       4FU  16   8.417  -5.844  -5.322
  154    HAG  4FU  16           HAG      4FU  16   7.341  -6.259  -3.116
  155    H12  4FU  16           HAH      4FU  16   7.754  -7.980  -3.267
  156    HAL  4FU  16           HAL      4FU  16   9.542  -7.249  -2.021
  157    HAK  4FU  16           HAK      4FU  16   9.512  -5.622  -2.721
  158    H14  4FU  16           HAN      4FU  16  11.446  -7.336  -3.294
  159    H    GLY  17           HN       GLY  17  11.816  -9.931  -3.816
  160    HA2  GLY  17           HA2      GLY  17  13.527 -11.190  -4.715
  161    HA3  GLY  17           HA1      GLY  17  12.889 -10.824  -6.319
  162    H    VAL  18           HN       VAL  18  13.338  -8.103  -4.353
  163    HA   VAL  18           HA       VAL  18  15.849  -7.402  -5.750
  164    HB   VAL  18           HB       VAL  18  13.641  -5.617  -4.790
  165   HG11  VAL  18          HG11      VAL  18  15.773  -4.476  -4.708
  166   HG12  VAL  18          HG12      VAL  18  14.909  -3.900  -6.125
  167   HG13  VAL  18          HG13      VAL  18  16.210  -5.077  -6.301
  168   HG21  VAL  18          HG21      VAL  18  12.862  -6.799  -6.720
  169   HG22  VAL  18          HG22      VAL  18  14.423  -6.656  -7.523
  170   HG23  VAL  18          HG23      VAL  18  13.406  -5.232  -7.311
  171    H    THR  19           HN       THR  19  17.405  -7.881  -4.232
  172    HA   THR  19           HA       THR  19  17.429  -6.194  -1.844
  173    HB   THR  19           HB       THR  19  17.949  -8.089  -0.365
  174    HG1  THR  19           HG1      THR  19  17.037 -10.108  -1.751
  175   HG21  THR  19          HG21      THR  19  15.711  -8.884  -0.116
  176   HG22  THR  19          HG22      THR  19  15.366  -8.649  -1.829
  177   HG23  THR  19          HG23      THR  19  15.574  -7.254  -0.772
  178    H    ILE  20           HN       ILE  20  19.483  -5.639  -1.197
  179    HA   ILE  20           HA       ILE  20  21.823  -7.106  -1.834
  180    HB   ILE  20           HB       ILE  20  21.325  -6.333  -4.123
  181   HG12  ILE  20          HG12      ILE  20  23.687  -4.893  -2.861
  182   HG13  ILE  20          HG11      ILE  20  23.682  -6.579  -3.380
  183   HG21  ILE  20          HG21      ILE  20  21.051  -4.077  -4.697
  184   HG22  ILE  20          HG22      ILE  20  21.818  -3.499  -3.219
  185   HG23  ILE  20          HG23      ILE  20  20.190  -4.174  -3.162
  186   HD11  ILE  20          HD11      ILE  20  23.364  -4.119  -5.115
  187   HD12  ILE  20          HD12      ILE  20  23.055  -5.757  -5.693
  188   HD13  ILE  20          HD13      ILE  20  24.672  -5.301  -5.158
  189    H    ARG  21           HN       ARG  21  23.098  -6.624  -0.177
  190    HA   ARG  21           HA       ARG  21  22.962  -3.927   1.063
  191    HB2  ARG  21           HB2      ARG  21  24.102  -6.522   2.131
  192    HB3  ARG  21           HB1      ARG  21  23.997  -5.008   3.007
  193    HG2  ARG  21           HG2      ARG  21  21.621  -6.618   2.036
  194    HG3  ARG  21           HG1      ARG  21  22.247  -6.649   3.673
  195    HD2  ARG  21           HD2      ARG  21  20.368  -5.166   3.676
  196    HD3  ARG  21           HD1      ARG  21  21.807  -4.176   3.817
  197    HE   ARG  21           HE       ARG  21  21.114  -3.120   1.897
  198   HH11  ARG  21          HH21      ARG  21  19.858  -6.351   1.975
  199   HH12  ARG  21          HH22      ARG  21  18.942  -6.175   0.516
  200   HH21  ARG  21          HH11      ARG  21  19.857  -2.875   0.015
  201   HH22  ARG  21          HH12      ARG  21  18.939  -4.214  -0.588
  202    H    GLU  22           HN       GLU  22  24.669  -2.589   0.691
  203    HA   GLU  22           HA       GLU  22  27.269  -3.790  -0.073
  204    HB2  GLU  22           HB2      GLU  22  26.257  -2.366  -1.833
  205    HB3  GLU  22           HB1      GLU  22  26.219  -1.040  -0.684
  206    HG2  GLU  22           HG2      GLU  22  28.185  -0.857  -2.137
  207    HG3  GLU  22           HG1      GLU  22  28.659  -1.123  -0.466
  208    H    LYS  23           HN       LYS  23  28.953  -3.437   1.246
  209    HA   LYS  23           HA       LYS  23  28.500  -2.052   3.738
  210    HB2  LYS  23           HB2      LYS  23  30.925  -3.522   2.692
  211    HB3  LYS  23           HB1      LYS  23  30.803  -2.822   4.295
  212    HG2  LYS  23           HG2      LYS  23  30.367  -5.221   4.367
  213    HG3  LYS  23           HG1      LYS  23  28.918  -4.327   4.800
  214    HD2  LYS  23           HD2      LYS  23  27.980  -4.700   2.582
  215    HD3  LYS  23           HD1      LYS  23  29.467  -5.489   2.050
  216    HE2  LYS  23           HE2      LYS  23  27.666  -6.393   4.298
  217    HE3  LYS  23           HE1      LYS  23  27.730  -7.116   2.693
  218    HZ1  LYS  23           HZ1      LYS  23  29.628  -7.297   4.896
  219    HZ2  LYS  23           HZ2      LYS  23  30.286  -7.212   3.332
  220    HZ3  LYS  23           HZ3      LYS  23  29.203  -8.457   3.735
  221    HN1  NH2  24           H2       LYS  23  30.008   0.996   3.018
  222    HN2  NH2  24           H1       LYS  23  28.774   0.143   3.805
  Start of MODEL    7
    1    H1   ACE   0           HA2      ACE   0  10.531  -0.098  -2.877
    2    H2   ACE   0           HA3      ACE   0   9.320   0.175  -1.625
    3    H3   ACE   0           HA1      ACE   0  10.614  -0.993  -1.359
    4    H    GLU   1           HN       GLU   1  11.662  -0.103   0.365
    5    HA   GLU   1           HA       GLU   1  12.312   2.742   0.413
    6    HB2  GLU   1           HB2      GLU   1  13.220   2.235   2.650
    7    HB3  GLU   1           HB1      GLU   1  11.562   1.666   2.472
    8    HG2  GLU   1           HG2      GLU   1  12.409  -0.607   1.964
    9    HG3  GLU   1           HG1      GLU   1  14.059  -0.031   2.198
   10    H    ARG   2           HN       ARG   2  14.320   3.627   0.161
   11    HA   ARG   2           HA       ARG   2  16.523   1.790  -0.620
   12    HB2  ARG   2           HB2      ARG   2  15.976   4.557  -1.738
   13    HB3  ARG   2           HB1      ARG   2  17.357   3.563  -2.119
   14    HG2  ARG   2           HG2      ARG   2  15.832   3.395  -3.963
   15    HG3  ARG   2           HG1      ARG   2  15.766   1.869  -3.103
   16    HD2  ARG   2           HD2      ARG   2  13.661   2.552  -2.039
   17    HD3  ARG   2           HD1      ARG   2  13.754   4.118  -2.805
   18    HE   ARG   2           HE       ARG   2  12.825   3.119  -4.661
   19   HH11  ARG   2          HH21      ARG   2  14.405   0.728  -2.711
   20   HH12  ARG   2          HH22      ARG   2  14.008  -0.587  -3.766
   21   HH21  ARG   2          HH11      ARG   2  12.302   1.394  -6.037
   22   HH22  ARG   2          HH12      ARG   2  12.820  -0.211  -5.644
   23    H    PHE   3           HN       PHE   3  18.694   2.535  -0.192
   24    HA   PHE   3           HA       PHE   3  18.996   4.863   1.567
   25    HB2  PHE   3           HB2      PHE   3  18.433   2.949   3.073
   26    HB3  PHE   3           HB1      PHE   3  19.816   2.081   2.437
   27    HD1  PHE   3           HD2      PHE   3  20.794   5.543   2.658
   28    HD2  PHE   3           HD1      PHE   3  20.059   2.046   5.067
   29    HE1  PHE   3           HE2      PHE   3  22.197   6.472   4.432
   30    HE2  PHE   3           HE1      PHE   3  21.473   3.007   6.855
   31    HZ   PHE   3           HZ       PHE   3  22.561   5.207   6.531
   32    H    TYR   4           HN       TYR   4  20.675   5.903   0.553
   33    HA   TYR   4           HA       TYR   4  23.058   4.315  -0.241
   34    HB2  TYR   4           HB2      TYR   4  21.978   6.835  -1.509
   35    HB3  TYR   4           HB1      TYR   4  23.587   6.200  -1.822
   36    HD1  TYR   4           HD1      TYR   4  20.039   4.872  -1.697
   37    HD2  TYR   4           HD2      TYR   4  23.821   4.936  -3.745
   38    HE1  TYR   4           HE1      TYR   4  19.140   3.369  -3.464
   39    HE2  TYR   4           HE2      TYR   4  22.909   3.441  -5.488
   40    HH   TYR   4           HH       TYR   4  20.774   1.588  -5.383
   41    H    GLU   5           HN       GLU   5  24.831   4.708   0.880
   42    HA   GLU   5           HA       GLU   5  25.038   7.217   2.443
   43    HB2  GLU   5           HB2      GLU   5  26.567   4.632   2.827
   44    HB3  GLU   5           HB1      GLU   5  26.767   6.086   3.781
   45    HG2  GLU   5           HG2      GLU   5  25.416   4.533   5.040
   46    HG3  GLU   5           HG1      GLU   5  24.403   5.867   4.536
   47    H    LYS   6           HN       LYS   6  26.500   8.665   1.838
   48    HA   LYS   6           HA       LYS   6  28.567   7.863  -0.123
   49    HB2  LYS   6           HB2      LYS   6  28.557  10.243  -0.788
   50    HB3  LYS   6           HB1      LYS   6  27.025   9.434  -1.095
   51    HG2  LYS   6           HG2      LYS   6  26.179  10.379   1.081
   52    HG3  LYS   6           HG1      LYS   6  27.662  11.299   1.218
   53    HD2  LYS   6           HD2      LYS   6  25.632  11.563  -1.009
   54    HD3  LYS   6           HD1      LYS   6  25.852  12.689   0.319
   55    HE2  LYS   6           HE2      LYS   6  26.938  13.583  -1.659
   56    HE3  LYS   6           HE1      LYS   6  28.177  13.128  -0.494
   57    HZ1  LYS   6           HZ1      LYS   6  29.028  11.686  -1.918
   58    HZ2  LYS   6           HZ2      LYS   6  27.993  12.319  -3.109
   59    HZ3  LYS   6           HZ3      LYS   6  27.522  10.959  -2.207
   60    HAC  4G6   7           HAC      4G6   7  32.083   8.738   0.257
   61    HAB  4G6   7           HAB      4G6   7  33.772   8.178   0.302
   62    HAA  4G6   7           HAA      4G6   7  32.450   7.002   0.113
   63    HAF  4G6   7           HAF      4G6   7  34.716   7.849   2.738
   64    HAD  4G6   7           HAD      4G6   7  33.611   8.813   3.750
   65    HAE  4G6   7           HAE      4G6   7  34.092   9.403   2.140
   66    HAL  4G6   7           HAL      4G6   7  33.538   5.865   2.286
   67    HAH  4G6   7           HAH      4G6   7  31.530   9.564   2.580
   68    HAG  4G6   7           HAG      4G6   7  31.154   8.155   3.593
   69    H    4G6   7           H          4G6   7  30.208   7.260   1.251
   70    HA   DPR   8           HA       PRO   8  33.102   4.087   3.102
   71    HB2  DPR   8           HB2      PRO   8  32.483   4.013   5.357
   72    HB3  DPR   8           HB1      PRO   8  30.764   4.281   4.990
   73    HG2  DPR   8           HG2      PRO   8  32.351   1.773   4.863
   74    HG3  DPR   8           HG1      PRO   8  30.621   1.997   5.171
   75    HD2  DPR   8           HD2      PRO   8  31.866   1.297   2.660
   76    HD3  DPR   8           HD1      PRO   8  30.143   1.610   2.955
   77    H    VAL   9           HN       VAL   9  28.008   3.347   0.714
   78    HA   VAL   9           HA       VAL   9  30.417   1.592   0.654
   79    HB   VAL   9           HB       VAL   9  29.562   2.029  -1.576
   80   HG11  VAL   9          HG11      VAL   9  28.983   4.110  -2.412
   81   HG12  VAL   9          HG12      VAL   9  30.126   4.973  -1.389
   82   HG13  VAL   9          HG13      VAL   9  28.605   4.391  -0.714
   83   HG21  VAL   9          HG21      VAL   9  31.615   2.822  -2.545
   84   HG22  VAL   9          HG22      VAL   9  32.045   1.987  -1.052
   85   HG23  VAL   9          HG23      VAL   9  32.009   3.750  -1.098
   86    H    GLN  10           HN       GLN  10  25.820  -0.154   0.719
   87    HA   GLN  10           HA       GLN  10  26.235   2.599   1.770
   88    HB2  GLN  10           HB2      GLN  10  25.209   1.016   3.381
   89    HB3  GLN  10           HB1      GLN  10  26.591  -0.051   3.182
   90    HG2  GLN  10           HG2      GLN  10  28.087   1.728   3.999
   91    HG3  GLN  10           HG1      GLN  10  26.698   2.784   4.218
   92   HE21  GLN  10          HE21      GLN  10  26.017   2.826   6.351
   93   HE22  GLN  10          HE22      GLN  10  26.094   1.515   7.426
   94    H    LYS  11           HN       LYS  11  22.177   1.424  -0.829
   95    HA   LYS  11           HA       LYS  11  24.494  -0.408  -0.992
   96    HB2  LYS  11           HB2      LYS  11  23.952   2.111  -2.572
   97    HB3  LYS  11           HB1      LYS  11  25.487   1.266  -2.579
   98    HG2  LYS  11           HG2      LYS  11  24.219   0.661  -4.551
   99    HG3  LYS  11           HG1      LYS  11  24.360  -0.738  -3.503
  100    HD2  LYS  11           HD2      LYS  11  22.061  -0.404  -2.722
  101    HD3  LYS  11           HD1      LYS  11  21.917   1.044  -3.718
  102    HE2  LYS  11           HE2      LYS  11  22.480  -1.761  -4.734
  103    HE3  LYS  11           HE1      LYS  11  20.939  -0.926  -4.857
  104    HZ1  LYS  11           HZ1      LYS  11  23.411  -0.470  -6.329
  105    HZ2  LYS  11           HZ2      LYS  11  22.457   0.889  -5.965
  106    HZ3  LYS  11           HZ3      LYS  11  21.803  -0.397  -6.859
  107    H    PHE  12           HN       PHE  12  19.994  -2.222  -0.465
  108    HA   PHE  12           HA       PHE  12  20.332   0.694   0.023
  109    HB2  PHE  12           HB2      PHE  12  20.780  -1.653   1.884
  110    HB3  PHE  12           HB1      PHE  12  21.242  -0.005   2.251
  111    HD1  PHE  12           HD2      PHE  12  18.250   0.599   0.630
  112    HD2  PHE  12           HD1      PHE  12  19.693  -1.262   4.212
  113    HE1  PHE  12           HE2      PHE  12  16.095   0.996   1.679
  114    HE2  PHE  12           HE1      PHE  12  17.504  -0.821   5.286
  115    HZ   PHE  12           HZ       PHE  12  15.707   0.303   3.996
  116    H    ILE  13           HN       ILE  13  16.154  -1.094  -1.839
  117    HA   ILE  13           HA       ILE  13  18.391  -2.948  -1.519
  118    HB   ILE  13           HB       ILE  13  19.535  -2.204  -3.582
  119   HG12  ILE  13          HG12      ILE  13  18.120  -1.301  -5.449
  120   HG13  ILE  13          HG11      ILE  13  16.838  -1.001  -4.290
  121   HG21  ILE  13          HG21      ILE  13  18.392  -3.716  -5.019
  122   HG22  ILE  13          HG22      ILE  13  16.862  -3.451  -4.189
  123   HG23  ILE  13          HG23      ILE  13  18.171  -4.310  -3.378
  124   HD11  ILE  13          HD11      ILE  13  17.817   0.906  -3.547
  125   HD12  ILE  13          HD12      ILE  13  18.737   0.821  -5.037
  126   HD13  ILE  13          HD13      ILE  13  19.435   0.204  -3.551
  127    H    ARG  14           HN       ARG  14  13.815  -4.952  -1.679
  128    HA   ARG  14           HA       ARG  14  14.082  -2.099  -2.368
  129    HB2  ARG  14           HB2      ARG  14  14.643  -1.741   0.067
  130    HB3  ARG  14           HB1      ARG  14  12.963  -2.090  -0.284
  131    HG2  ARG  14           HG2      ARG  14  14.901  -4.241   0.570
  132    HG3  ARG  14           HG1      ARG  14  14.032  -3.258   1.742
  133    HD2  ARG  14           HD2      ARG  14  11.887  -4.016   0.834
  134    HD3  ARG  14           HD1      ARG  14  12.672  -4.967  -0.390
  135    HE   ARG  14           HE       ARG  14  13.668  -5.741   2.119
  136   HH11  ARG  14          HH21      ARG  14  10.797  -5.795   0.192
  137   HH12  ARG  14          HH22      ARG  14  10.180  -7.250   0.899
  138   HH21  ARG  14          HH11      ARG  14  12.865  -7.655   3.055
  139   HH22  ARG  14          HH12      ARG  14  11.351  -8.303   2.519
  140    H    VAL  15           HN       VAL  15  11.764  -4.827  -5.472
  141    HA   VAL  15           HA       VAL  15  11.534  -5.759  -2.690
  142    HB   VAL  15           HB       VAL  15  13.858  -6.265  -4.566
  143   HG11  VAL  15          HG11      VAL  15  14.860  -6.150  -2.460
  144   HG12  VAL  15          HG12      VAL  15  14.434  -7.854  -2.561
  145   HG13  VAL  15          HG13      VAL  15  13.421  -6.751  -1.637
  146   HG21  VAL  15          HG21      VAL  15  11.961  -7.685  -5.129
  147   HG22  VAL  15          HG22      VAL  15  11.731  -8.100  -3.432
  148   HG23  VAL  15          HG23      VAL  15  13.165  -8.660  -4.288
  149    H8   4FU  16           HAM      4FU  16   9.712  -4.625  -8.072
  150    H9   4FU  16           HAI      4FU  16  11.195  -3.470  -5.681
  151    HAI  4FU  16           HAJ      4FU  16  11.196  -2.828  -7.336
  152   H112  4FU  16          HAE       4FU  16   8.776  -2.473  -7.241
  153   H111  4FU  16          HAF       4FU  16   9.588  -1.632  -5.901
  154    HAG  4FU  16           HAG      4FU  16   9.026  -3.502  -4.382
  155    H12  4FU  16           HAH      4FU  16   7.563  -2.817  -5.130
  156    HAL  4FU  16           HAL      4FU  16   7.592  -4.607  -6.824
  157    HAK  4FU  16           HAK      4FU  16   7.515  -5.293  -5.185
  158    H14  4FU  16           HAN      4FU  16   9.149  -6.493  -6.586
  159    H    GLY  17           HN       GLY  17  12.618  -3.878  -7.528
  160    HA2  GLY  17           HA2      GLY  17  13.866  -5.862  -8.983
  161    HA3  GLY  17           HA1      GLY  17  14.710  -4.741  -7.929
  162    H    VAL  18           HN       VAL  18  16.075  -5.783  -6.667
  163    HA   VAL  18           HA       VAL  18  15.231  -8.267  -5.287
  164    HB   VAL  18           HB       VAL  18  17.511  -9.147  -5.583
  165   HG11  VAL  18          HG11      VAL  18  16.390  -8.324  -8.272
  166   HG12  VAL  18          HG12      VAL  18  15.631  -9.555  -7.261
  167   HG13  VAL  18          HG13      VAL  18  17.266  -9.801  -7.873
  168   HG21  VAL  18          HG21      VAL  18  18.808  -7.138  -5.781
  169   HG22  VAL  18          HG22      VAL  18  17.855  -6.582  -7.157
  170   HG23  VAL  18          HG23      VAL  18  18.938  -7.962  -7.335
  171    H    THR  19           HN       THR  19  17.273  -8.717  -3.615
  172    HA   THR  19           HA       THR  19  17.630  -6.172  -2.119
  173    HB   THR  19           HB       THR  19  16.042  -7.604  -0.952
  174    HG1  THR  19           HG1      THR  19  17.953  -6.445   0.068
  175   HG21  THR  19          HG21      THR  19  16.873  -9.772  -1.902
  176   HG22  THR  19          HG22      THR  19  16.641  -9.809  -0.156
  177   HG23  THR  19          HG23      THR  19  18.264  -9.655  -0.824
  178    H    ILE  20           HN       ILE  20  19.578  -5.604  -1.541
  179    HA   ILE  20           HA       ILE  20  21.725  -7.485  -1.114
  180    HB   ILE  20           HB       ILE  20  21.805  -7.244  -3.575
  181   HG12  ILE  20          HG12      ILE  20  24.145  -6.463  -3.757
  182   HG13  ILE  20          HG11      ILE  20  24.035  -5.737  -2.158
  183   HG21  ILE  20          HG21      ILE  20  22.350  -4.308  -3.092
  184   HG22  ILE  20          HG22      ILE  20  20.746  -4.920  -3.494
  185   HG23  ILE  20          HG23      ILE  20  22.078  -5.121  -4.633
  186   HD11  ILE  20          HD11      ILE  20  24.039  -7.796  -1.073
  187   HD12  ILE  20          HD12      ILE  20  25.070  -8.150  -2.456
  188   HD13  ILE  20          HD13      ILE  20  23.382  -8.655  -2.468
  189    H    ARG  21           HN       ARG  21  23.240  -6.599   0.293
  190    HA   ARG  21           HA       ARG  21  22.901  -3.737   0.970
  191    HB2  ARG  21           HB2      ARG  21  21.949  -5.269   2.653
  192    HB3  ARG  21           HB1      ARG  21  23.485  -6.110   2.766
  193    HG2  ARG  21           HG2      ARG  21  23.232  -4.620   4.647
  194    HG3  ARG  21           HG1      ARG  21  24.502  -4.004   3.596
  195    HD2  ARG  21           HD2      ARG  21  22.987  -2.364   2.636
  196    HD3  ARG  21           HD1      ARG  21  21.625  -3.068   3.499
  197    HE   ARG  21           HE       ARG  21  22.230  -1.757   5.256
  198   HH11  ARG  21          HH21      ARG  21  25.005  -2.325   3.282
  199   HH12  ARG  21          HH22      ARG  21  26.066  -1.384   4.274
  200   HH21  ARG  21          HH11      ARG  21  23.608  -0.509   6.544
  201   HH22  ARG  21          HH12      ARG  21  25.279  -0.353   6.112
  202    H    GLU  22           HN       GLU  22  24.685  -2.870  -0.081
  203    HA   GLU  22           HA       GLU  22  27.257  -4.171  -0.052
  204    HB2  GLU  22           HB2      GLU  22  26.518  -2.754  -1.953
  205    HB3  GLU  22           HB1      GLU  22  26.500  -1.366  -0.878
  206    HG2  GLU  22           HG2      GLU  22  28.560  -1.429  -2.207
  207    HG3  GLU  22           HG1      GLU  22  28.904  -1.592  -0.495
  208    H    LYS  23           HN       LYS  23  29.210  -3.046   0.896
  209    HA   LYS  23           HA       LYS  23  28.583  -1.328   3.192
  210    HB2  LYS  23           HB2      LYS  23  29.899  -2.633   4.746
  211    HB3  LYS  23           HB1      LYS  23  28.582  -3.605   4.138
  212    HG2  LYS  23           HG2      LYS  23  31.485  -3.746   3.258
  213    HG3  LYS  23           HG1      LYS  23  30.666  -4.909   4.278
  214    HD2  LYS  23           HD2      LYS  23  30.131  -4.396   1.338
  215    HD3  LYS  23           HD1      LYS  23  30.880  -5.803   2.041
  216    HE2  LYS  23           HE2      LYS  23  28.001  -4.961   2.487
  217    HE3  LYS  23           HE1      LYS  23  28.556  -6.292   1.486
  218    HZ1  LYS  23           HZ1      LYS  23  28.746  -6.035   4.423
  219    HZ2  LYS  23           HZ2      LYS  23  29.687  -7.150   3.552
  220    HZ3  LYS  23           HZ3      LYS  23  27.991  -7.255   3.519
  221    HN1  NH2  24           H2       LYS  23  31.443  -0.208   1.097
  222    HN2  NH2  24           H1       LYS  23  29.884  -0.708   0.692
  Start of MODEL    8
    1    H1   ACE   0           HA2      ACE   0  10.328  -1.645  -3.028
    2    H2   ACE   0           HA3      ACE   0   8.733  -0.967  -2.699
    3    H3   ACE   0           HA1      ACE   0   9.570  -1.899  -1.456
    4    H    GLU   1           HN       GLU   1  12.079  -0.883  -1.452
    5    HA   GLU   1           HA       GLU   1  12.027   2.018  -1.400
    6    HB2  GLU   1           HB2      GLU   1  12.587   2.191   0.993
    7    HB3  GLU   1           HB1      GLU   1  10.981   1.504   0.754
    8    HG2  GLU   1           HG2      GLU   1  11.909  -0.764   1.048
    9    HG3  GLU   1           HG1      GLU   1  13.513  -0.078   1.293
   10    H    ARG   2           HN       ARG   2  14.174   2.833  -0.409
   11    HA   ARG   2           HA       ARG   2  16.369   0.971  -0.693
   12    HB2  ARG   2           HB2      ARG   2  17.532   2.368  -2.396
   13    HB3  ARG   2           HB1      ARG   2  16.126   1.500  -2.976
   14    HG2  ARG   2           HG2      ARG   2  16.188   3.781  -3.892
   15    HG3  ARG   2           HG1      ARG   2  14.781   3.549  -2.872
   16    HD2  ARG   2           HD2      ARG   2  15.822   4.804  -1.076
   17    HD3  ARG   2           HD1      ARG   2  17.339   4.908  -1.955
   18    HE   ARG   2           HE       ARG   2  16.421   6.734  -3.034
   19   HH11  ARG   2          HH21      ARG   2  13.893   4.699  -1.810
   20   HH12  ARG   2          HH22      ARG   2  12.617   5.712  -2.395
   21   HH21  ARG   2          HH11      ARG   2  14.748   8.057  -3.789
   22   HH22  ARG   2          HH12      ARG   2  13.099   7.609  -3.511
   23    H    PHE   3           HN       PHE   3  18.557   2.107  -0.428
   24    HA   PHE   3           HA       PHE   3  18.413   4.482   1.284
   25    HB2  PHE   3           HB2      PHE   3  17.949   2.640   2.833
   26    HB3  PHE   3           HB1      PHE   3  19.408   1.807   2.300
   27    HD1  PHE   3           HD1      PHE   3  18.431   5.254   3.472
   28    HD2  PHE   3           HD2      PHE   3  21.273   2.035   3.683
   29    HE1  PHE   3           HE1      PHE   3  19.759   6.531   5.129
   30    HE2  PHE   3           HE2      PHE   3  22.596   3.314   5.340
   31    HZ   PHE   3           HZ       PHE   3  21.838   5.559   6.063
   32    H    TYR   4           HN       TYR   4  20.117   5.756   0.903
   33    HA   TYR   4           HA       TYR   4  22.659   4.524   0.008
   34    HB2  TYR   4           HB2      TYR   4  21.475   7.133  -0.940
   35    HB3  TYR   4           HB1      TYR   4  23.122   6.608  -1.269
   36    HD1  TYR   4           HD1      TYR   4  19.610   5.249  -1.510
   37    HD2  TYR   4           HD2      TYR   4  23.513   5.532  -3.295
   38    HE1  TYR   4           HE1      TYR   4  18.817   3.957  -3.476
   39    HE2  TYR   4           HE2      TYR   4  22.707   4.248  -5.255
   40    HH   TYR   4           HH       TYR   4  20.268   3.888  -6.341
   41    H    GLU   5           HN       GLU   5  24.400   5.020   1.096
   42    HA   GLU   5           HA       GLU   5  24.906   7.489   2.377
   43    HB2  GLU   5           HB2      GLU   5  23.223   6.686   3.985
   44    HB3  GLU   5           HB1      GLU   5  24.148   5.202   4.216
   45    HG2  GLU   5           HG2      GLU   5  26.057   6.503   5.050
   46    HG3  GLU   5           HG1      GLU   5  25.167   7.998   4.783
   47    H    LYS   6           HN       LYS   6  27.049   7.582   3.214
   48    HA   LYS   6           HA       LYS   6  28.698   5.219   2.525
   49    HB2  LYS   6           HB2      LYS   6  30.569   6.848   2.265
   50    HB3  LYS   6           HB1      LYS   6  29.273   7.019   1.096
   51    HG2  LYS   6           HG2      LYS   6  30.035   9.220   1.873
   52    HG3  LYS   6           HG1      LYS   6  28.372   8.938   2.359
   53    HD2  LYS   6           HD2      LYS   6  29.067   8.466   4.638
   54    HD3  LYS   6           HD1      LYS   6  30.771   8.549   4.182
   55    HE2  LYS   6           HE2      LYS   6  30.011  10.641   5.241
   56    HE3  LYS   6           HE1      LYS   6  30.437  10.921   3.553
   57    HZ1  LYS   6           HZ1      LYS   6  28.305  11.299   2.981
   58    HZ2  LYS   6           HZ2      LYS   6  28.147  11.711   4.622
   59    HZ3  LYS   6           HZ3      LYS   6  27.679  10.169   4.080
   60    HAC  4G6   7           HAC      4G6   7  33.115   6.939   5.817
   61    HAB  4G6   7           HAB      4G6   7  34.354   5.704   5.479
   62    HAA  4G6   7           HAA      4G6   7  33.142   6.113   4.240
   63    HAF  4G6   7           HAF      4G6   7  33.868   4.279   7.290
   64    HAD  4G6   7           HAD      4G6   7  32.207   3.772   7.683
   65    HAE  4G6   7           HAE      4G6   7  32.704   5.466   7.920
   66    HAL  4G6   7           HAL      4G6   7  33.308   3.552   4.494
   67    HAH  4G6   7           HAH      4G6   7  30.977   6.446   6.396
   68    HAG  4G6   7           HAG      4G6   7  30.334   4.793   6.476
   69    H    4G6   7           H          4G6   7  30.964   5.410   3.750
   70    HA   DPR   8           HA       PRO   8  32.817   1.450   3.905
   71    HB2  DPR   8           HB2      PRO   8  31.921  -0.189   5.289
   72    HB3  DPR   8           HB1      PRO   8  30.315   0.566   5.315
   73    HG2  DPR   8           HG2      PRO   8  31.512  -1.259   3.300
   74    HG3  DPR   8           HG1      PRO   8  29.819  -1.063   3.778
   75    HD2  DPR   8           HD2      PRO   8  31.018   0.026   1.456
   76    HD3  DPR   8           HD1      PRO   8  29.439   0.497   2.121
   77    H    VAL   9           HN       VAL   9  28.415   3.376   1.715
   78    HA   VAL   9           HA       VAL   9  30.488   1.906   0.207
   79    HB   VAL   9           HB       VAL   9  30.360   4.921   0.517
   80   HG11  VAL   9          HG11      VAL   9  32.391   3.023  -0.659
   81   HG12  VAL   9          HG12      VAL   9  32.645   4.292   0.538
   82   HG13  VAL   9          HG13      VAL   9  32.318   4.717  -1.141
   83   HG21  VAL   9          HG21      VAL   9  30.085   4.924  -1.943
   84   HG22  VAL   9          HG22      VAL   9  28.748   4.083  -1.159
   85   HG23  VAL   9          HG23      VAL   9  30.037   3.162  -1.936
   86    H    GLN  10           HN       GLN  10  25.917   0.393  -0.347
   87    HA   GLN  10           HA       GLN  10  26.191   3.217   0.468
   88    HB2  GLN  10           HB2      GLN  10  26.455   0.816   2.284
   89    HB3  GLN  10           HB1      GLN  10  26.894   2.465   2.729
   90    HG2  GLN  10           HG2      GLN  10  24.567   3.192   2.258
   91    HG3  GLN  10           HG1      GLN  10  24.139   1.528   1.868
   92   HE21  GLN  10          HE21      GLN  10  23.081   0.560   3.597
   93   HE22  GLN  10          HE22      GLN  10  23.434   0.838   5.233
   94    H    LYS  11           HN       LYS  11  21.803   1.346  -1.299
   95    HA   LYS  11           HA       LYS  11  24.339  -0.148  -1.687
   96    HB2  LYS  11           HB2      LYS  11  23.245   0.590  -3.768
   97    HB3  LYS  11           HB1      LYS  11  23.261   2.253  -3.186
   98    HG2  LYS  11           HG2      LYS  11  25.729   2.205  -3.090
   99    HG3  LYS  11           HG1      LYS  11  25.716   0.534  -3.651
  100    HD2  LYS  11           HD2      LYS  11  24.618   1.243  -5.744
  101    HD3  LYS  11           HD1      LYS  11  24.627   2.914  -5.180
  102    HE2  LYS  11           HE2      LYS  11  27.089   2.873  -5.069
  103    HE3  LYS  11           HE1      LYS  11  27.088   1.200  -5.628
  104    HZ1  LYS  11           HZ1      LYS  11  26.941   3.560  -7.152
  105    HZ2  LYS  11           HZ2      LYS  11  25.520   2.662  -7.396
  106    HZ3  LYS  11           HZ3      LYS  11  27.036   1.955  -7.692
  107    H    PHE  12           HN       PHE  12  20.025  -2.485  -1.054
  108    HA   PHE  12           HA       PHE  12  20.169   0.389  -0.293
  109    HB2  PHE  12           HB2      PHE  12  20.952  -2.085   1.282
  110    HB3  PHE  12           HB1      PHE  12  21.166  -0.433   1.828
  111    HD1  PHE  12           HD2      PHE  12  18.090  -0.261   0.157
  112    HD2  PHE  12           HD1      PHE  12  19.843  -1.958   3.689
  113    HE1  PHE  12           HE2      PHE  12  15.880  -0.318   1.207
  114    HE2  PHE  12           HE1      PHE  12  17.606  -1.998   4.753
  115    HZ   PHE  12           HZ       PHE  12  15.626  -1.180   3.503
  116    H    ILE  13           HN       ILE  13  16.493  -0.994  -2.898
  117    HA   ILE  13           HA       ILE  13  18.374  -3.126  -2.349
  118    HB   ILE  13           HB       ILE  13  20.073  -2.425  -3.985
  119   HG12  ILE  13          HG12      ILE  13  19.327  -0.131  -4.394
  120   HG13  ILE  13          HG11      ILE  13  19.449  -1.015  -5.908
  121   HG21  ILE  13          HG21      ILE  13  19.210  -3.583  -5.875
  122   HG22  ILE  13          HG22      ILE  13  17.548  -3.186  -5.457
  123   HG23  ILE  13          HG23      ILE  13  18.466  -4.313  -4.456
  124   HD11  ILE  13          HD11      ILE  13  17.393  -0.001  -6.198
  125   HD12  ILE  13          HD12      ILE  13  17.015  -0.026  -4.482
  126   HD13  ILE  13          HD13      ILE  13  16.867  -1.498  -5.437
  127    H    ARG  14           HN       ARG  14  14.712  -3.106  -5.608
  128    HA   ARG  14           HA       ARG  14  14.478  -1.362  -3.449
  129    HB2  ARG  14           HB2      ARG  14  13.989  -2.946  -1.607
  130    HB3  ARG  14           HB1      ARG  14  12.604  -2.699  -2.658
  131    HG2  ARG  14           HG2      ARG  14  13.303  -4.780  -3.909
  132    HG3  ARG  14           HG1      ARG  14  14.514  -5.034  -2.670
  133    HD2  ARG  14           HD2      ARG  14  11.526  -4.967  -2.199
  134    HD3  ARG  14           HD1      ARG  14  12.506  -6.417  -2.287
  135    HE   ARG  14           HE       ARG  14  13.103  -6.066  -0.093
  136   HH11  ARG  14          HH21      ARG  14  11.594  -3.212  -1.323
  137   HH12  ARG  14          HH22      ARG  14  11.867  -2.289   0.113
  138   HH21  ARG  14          HH11      ARG  14  13.434  -4.875   1.796
  139   HH22  ARG  14          HH12      ARG  14  12.905  -3.227   1.881
  140    H    VAL  15           HN       VAL  15  11.709  -4.613  -6.141
  141    HA   VAL  15           HA       VAL  15  13.417  -2.658  -7.417
  142    HB   VAL  15           HB       VAL  15  11.899  -0.703  -7.139
  143   HG11  VAL  15          HG11      VAL  15  10.743  -0.926  -9.186
  144   HG12  VAL  15          HG12      VAL  15  10.566  -2.665  -9.011
  145   HG13  VAL  15          HG13      VAL  15  12.153  -1.963  -9.358
  146   HG21  VAL  15          HG21      VAL  15   9.321  -1.630  -7.203
  147   HG22  VAL  15          HG22      VAL  15  10.133  -1.141  -5.722
  148   HG23  VAL  15          HG23      VAL  15  10.064  -2.847  -6.165
  149    H8   4FU  16           HAM      4FU  16  10.948  -6.184  -6.093
  150    H9   4FU  16           HAI      4FU  16  10.824  -8.808  -6.232
  151    HAI  4FU  16           HAJ      4FU  16   9.465  -7.820  -6.795
  152   H112  4FU  16          HAE       4FU  16   9.805  -8.344  -8.996
  153   H111  4FU  16          HAF       4FU  16  10.472  -9.813  -8.251
  154    HAG  4FU  16           HAG      4FU  16  12.744  -8.815  -8.359
  155    H12  4FU  16           HAH      4FU  16  11.993  -8.962  -9.964
  156    HAL  4FU  16           HAL      4FU  16  11.775  -6.700 -10.222
  157    HAK  4FU  16           HAK      4FU  16  13.177  -6.699  -9.135
  158    H14  4FU  16           HAN      4FU  16  10.301  -6.065  -8.546
  159    H    GLY  17           HN       GLY  17  13.381  -5.307  -6.540
  160    HA2  GLY  17           HA2      GLY  17  15.493  -7.162  -6.761
  161    HA3  GLY  17           HA1      GLY  17  15.605  -5.579  -5.981
  162    H    VAL  18           HN       VAL  18  16.409  -5.858  -3.953
  163    HA   VAL  18           HA       VAL  18  14.861  -7.320  -2.084
  164    HB   VAL  18           HB       VAL  18  15.996  -9.223  -3.184
  165   HG11  VAL  18          HG11      VAL  18  18.363  -9.445  -3.270
  166   HG12  VAL  18          HG12      VAL  18  18.605  -8.073  -2.189
  167   HG13  VAL  18          HG13      VAL  18  18.011  -7.810  -3.828
  168   HG21  VAL  18          HG21      VAL  18  17.413  -9.034  -0.540
  169   HG22  VAL  18          HG22      VAL  18  16.514 -10.377  -1.236
  170   HG23  VAL  18          HG23      VAL  18  15.646  -9.005  -0.553
  171    H    THR  19           HN       THR  19  16.552  -7.620   0.059
  172    HA   THR  19           HA       THR  19  17.631  -4.886   0.423
  173    HB   THR  19           HB       THR  19  17.400  -5.323   2.831
  174    HG1  THR  19           HG1      THR  19  15.871  -7.541   2.589
  175   HG21  THR  19          HG21      THR  19  15.094  -4.995   2.924
  176   HG22  THR  19          HG22      THR  19  14.780  -6.168   1.650
  177   HG23  THR  19          HG23      THR  19  15.427  -4.579   1.242
  178    H    ILE  20           HN       ILE  20  19.717  -4.791   0.084
  179    HA   ILE  20           HA       ILE  20  21.524  -6.546   1.559
  180    HB   ILE  20           HB       ILE  20  21.259  -7.681  -0.624
  181   HG12  ILE  20          HG12      ILE  20  23.920  -6.241  -0.344
  182   HG13  ILE  20          HG11      ILE  20  23.461  -7.704   0.527
  183   HG21  ILE  20          HG21      ILE  20  20.682  -5.511  -1.830
  184   HG22  ILE  20          HG22      ILE  20  21.787  -6.587  -2.686
  185   HG23  ILE  20          HG23      ILE  20  22.412  -5.165  -1.848
  186   HD11  ILE  20          HD11      ILE  20  23.860  -7.367  -2.452
  187   HD12  ILE  20          HD12      ILE  20  23.053  -8.772  -1.755
  188   HD13  ILE  20          HD13      ILE  20  24.738  -8.435  -1.356
  189    H    ARG  21           HN       ARG  21  23.188  -5.365   2.355
  190    HA   ARG  21           HA       ARG  21  23.503  -2.598   1.365
  191    HB2  ARG  21           HB2      ARG  21  22.752  -2.847   3.647
  192    HB3  ARG  21           HB1      ARG  21  24.155  -3.838   4.050
  193    HG2  ARG  21           HG2      ARG  21  25.625  -1.935   3.413
  194    HG3  ARG  21           HG1      ARG  21  24.199  -0.963   3.099
  195    HD2  ARG  21           HD2      ARG  21  24.994  -2.141   5.772
  196    HD3  ARG  21           HD1      ARG  21  25.196  -0.463   5.309
  197    HE   ARG  21           HE       ARG  21  22.954  -0.117   5.821
  198   HH11  ARG  21          HH21      ARG  21  23.645  -3.510   5.748
  199   HH12  ARG  21          HH22      ARG  21  22.015  -3.982   6.096
  200   HH21  ARG  21          HH11      ARG  21  20.832  -0.730   6.288
  201   HH22  ARG  21          HH12      ARG  21  20.425  -2.409   6.402
  202    H    GLU  22           HN       GLU  22  25.251  -2.228   0.179
  203    HA   GLU  22           HA       GLU  22  27.838  -3.103   1.009
  204    HB2  GLU  22           HB2      GLU  22  28.362  -4.496  -0.978
  205    HB3  GLU  22           HB1      GLU  22  27.150  -5.218   0.074
  206    HG2  GLU  22           HG2      GLU  22  26.471  -5.463  -2.264
  207    HG3  GLU  22           HG1      GLU  22  25.364  -4.378  -1.431
  208    H    LYS  23           HN       LYS  23  29.524  -2.635  -0.751
  209    HA   LYS  23           HA       LYS  23  30.038  -0.129  -1.249
  210    HB2  LYS  23           HB2      LYS  23  31.407  -1.956  -2.149
  211    HB3  LYS  23           HB1      LYS  23  30.219  -2.227  -3.422
  212    HG2  LYS  23           HG2      LYS  23  30.605   0.050  -4.282
  213    HG3  LYS  23           HG1      LYS  23  31.777   0.338  -2.996
  214    HD2  LYS  23           HD2      LYS  23  33.164  -1.515  -3.843
  215    HD3  LYS  23           HD1      LYS  23  31.989  -1.810  -5.126
  216    HE2  LYS  23           HE2      LYS  23  32.355   0.465  -5.991
  217    HE3  LYS  23           HE1      LYS  23  33.530   0.766  -4.711
  218    HZ1  LYS  23           HZ1      LYS  23  33.780  -0.843  -7.120
  219    HZ2  LYS  23           HZ2      LYS  23  34.494  -1.486  -5.719
  220    HZ3  LYS  23           HZ3      LYS  23  34.955   0.049  -6.284
  221    HN1  NH2  24           H2       LYS  23  27.956   1.606  -3.456
  222    HN2  NH2  24           H1       LYS  23  29.379   1.627  -2.547
  Start of MODEL    9
    1    H1   ACE   0           HA2      ACE   0  12.568  -1.555   0.202
    2    H2   ACE   0           HA3      ACE   0  11.138  -0.527   0.306
    3    H3   ACE   0           HA1      ACE   0  12.742   0.169   0.530
    4    H    GLU   1           HN       GLU   1  13.707   1.054  -1.206
    5    HA   GLU   1           HA       GLU   1  13.311   0.045  -3.866
    6    HB2  GLU   1           HB2      GLU   1  12.346   2.140  -4.787
    7    HB3  GLU   1           HB1      GLU   1  11.251   1.306  -3.687
    8    HG2  GLU   1           HG2      GLU   1  11.934   2.825  -1.860
    9    HG3  GLU   1           HG1      GLU   1  13.011   3.668  -2.963
   10    H    ARG   2           HN       ARG   2  14.467   2.707  -1.866
   11    HA   ARG   2           HA       ARG   2  16.991   2.741  -3.418
   12    HB2  ARG   2           HB2      ARG   2  15.342   5.135  -2.576
   13    HB3  ARG   2           HB1      ARG   2  16.961   5.220  -3.246
   14    HG2  ARG   2           HG2      ARG   2  16.182   4.105  -5.303
   15    HG3  ARG   2           HG1      ARG   2  14.558   4.002  -4.632
   16    HD2  ARG   2           HD2      ARG   2  14.466   6.466  -4.486
   17    HD3  ARG   2           HD1      ARG   2  16.085   6.562  -5.173
   18    HE   ARG   2           HE       ARG   2  14.467   5.062  -6.924
   19   HH11  ARG   2          HH21      ARG   2  14.805   8.265  -5.658
   20   HH12  ARG   2          HH22      ARG   2  14.159   9.039  -7.066
   21   HH21  ARG   2          HH11      ARG   2  13.618   6.072  -8.776
   22   HH22  ARG   2          HH12      ARG   2  13.487   7.798  -8.831
   23    H    PHE   3           HN       PHE   3  18.843   2.892  -2.126
   24    HA   PHE   3           HA       PHE   3  18.538   3.925   0.606
   25    HB2  PHE   3           HB2      PHE   3  17.952   1.490   0.710
   26    HB3  PHE   3           HB1      PHE   3  19.563   1.115   0.125
   27    HD1  PHE   3           HD2      PHE   3  19.985   3.967   2.259
   28    HD2  PHE   3           HD1      PHE   3  19.141  -0.261   2.376
   29    HE1  PHE   3           HE2      PHE   3  20.745   3.869   4.590
   30    HE2  PHE   3           HE1      PHE   3  19.909  -0.331   4.724
   31    HZ   PHE   3           HZ       PHE   3  20.712   1.731   5.830
   32    H    TYR   4           HN       TYR   4  20.024   5.549   0.074
   33    HA   TYR   4           HA       TYR   4  22.828   4.654  -0.359
   34    HB2  TYR   4           HB2      TYR   4  21.951   5.822  -2.349
   35    HB3  TYR   4           HB1      TYR   4  21.516   7.205  -1.345
   36    HD1  TYR   4           HD1      TYR   4  24.510   4.988  -1.907
   37    HD2  TYR   4           HD2      TYR   4  23.034   8.987  -1.338
   38    HE1  TYR   4           HE1      TYR   4  26.813   5.872  -2.122
   39    HE2  TYR   4           HE2      TYR   4  25.342   9.867  -1.560
   40    HH   TYR   4           HH       TYR   4  28.071   7.702  -2.291
   41    H    GLU   5           HN       GLU   5  23.937   4.931   1.451
   42    HA   GLU   5           HA       GLU   5  24.137   7.431   2.764
   43    HB2  GLU   5           HB2      GLU   5  21.949   6.807   3.635
   44    HB3  GLU   5           HB1      GLU   5  22.560   5.233   4.114
   45    HG2  GLU   5           HG2      GLU   5  22.378   6.735   6.039
   46    HG3  GLU   5           HG1      GLU   5  24.045   6.284   5.748
   47    H    LYS   6           HN       LYS   6  25.596   7.212   4.750
   48    HA   LYS   6           HA       LYS   6  27.473   4.952   4.333
   49    HB2  LYS   6           HB2      LYS   6  29.151   6.387   5.382
   50    HB3  LYS   6           HB1      LYS   6  28.466   7.165   3.959
   51    HG2  LYS   6           HG2      LYS   6  26.904   8.430   5.438
   52    HG3  LYS   6           HG1      LYS   6  27.680   7.708   6.840
   53    HD2  LYS   6           HD2      LYS   6  29.052   9.485   4.803
   54    HD3  LYS   6           HD1      LYS   6  28.528   9.988   6.405
   55    HE2  LYS   6           HE2      LYS   6  30.649   7.894   5.800
   56    HE3  LYS   6           HE1      LYS   6  30.920   9.509   6.424
   57    HZ1  LYS   6           HZ1      LYS   6  30.684   8.672   8.437
   58    HZ2  LYS   6           HZ2      LYS   6  30.173   7.167   7.838
   59    HZ3  LYS   6           HZ3      LYS   6  29.045   8.410   8.095
   60    HAC  4G6   7           HAC      4G6   7  28.064   5.509   9.093
   61    HAB  4G6   7           HAB      4G6   7  28.314   4.554  10.575
   62    HAA  4G6   7           HAA      4G6   7  29.708   5.020   9.572
   63    HAF  4G6   7           HAF      4G6   7  29.455   2.056  10.110
   64    HAD  4G6   7           HAD      4G6   7  28.089   1.364   9.201
   65    HAE  4G6   7           HAE      4G6   7  27.787   2.489  10.548
   66    HAL  4G6   7           HAL      4G6   7  30.219   4.072   7.629
   67    HAH  4G6   7           HAH      4G6   7  26.475   4.098   8.528
   68    HAG  4G6   7           HAG      4G6   7  26.799   2.481   7.868
   69    H    4G6   7           H          4G6   7  27.894   3.566   5.942
   70    HA   DPR   8           HA       PRO   8  31.648   3.142   6.469
   71    HB2  DPR   8           HB2      PRO   8  33.143   1.385   6.492
   72    HB3  DPR   8           HB1      PRO   8  31.973   0.665   7.615
   73    HG2  DPR   8           HG2      PRO   8  32.679  -0.558   5.331
   74    HG3  DPR   8           HG1      PRO   8  31.045  -0.688   6.003
   75    HD2  DPR   8           HD2      PRO   8  31.968   0.815   3.600
   76    HD3  DPR   8           HD1      PRO   8  30.353   0.174   3.981
   77    H    VAL   9           HN       VAL   9  27.887   3.531   2.519
   78    HA   VAL   9           HA       VAL   9  30.308   1.835   2.363
   79    HB   VAL   9           HB       VAL   9  31.539   3.938   2.051
   80   HG11  VAL   9          HG11      VAL   9  29.193   3.412   0.209
   81   HG12  VAL   9          HG12      VAL   9  30.817   2.739   0.082
   82   HG13  VAL   9          HG13      VAL   9  30.551   4.457  -0.211
   83   HG21  VAL   9          HG21      VAL   9  30.303   5.637   3.112
   84   HG22  VAL   9          HG22      VAL   9  28.778   5.099   2.410
   85   HG23  VAL   9          HG23      VAL   9  29.963   5.939   1.412
   86    H    GLN  10           HN       GLN  10  26.553   0.509  -0.005
   87    HA   GLN  10           HA       GLN  10  25.981   2.641   1.965
   88    HB2  GLN  10           HB2      GLN  10  25.937  -0.330   2.540
   89    HB3  GLN  10           HB1      GLN  10  25.834   0.946   3.752
   90    HG2  GLN  10           HG2      GLN  10  23.767   1.781   2.694
   91    HG3  GLN  10           HG1      GLN  10  23.868   0.494   1.492
   92   HE21  GLN  10          HE21      GLN  10  22.388   1.261   4.385
   93   HE22  GLN  10          HE22      GLN  10  22.094  -0.309   4.959
   94    H    LYS  11           HN       LYS  11  23.569   2.684  -2.565
   95    HA   LYS  11           HA       LYS  11  25.304   0.397  -1.817
   96    HB2  LYS  11           HB2      LYS  11  26.071   3.163  -2.708
   97    HB3  LYS  11           HB1      LYS  11  27.205   1.901  -2.242
   98    HG2  LYS  11           HG2      LYS  11  26.283   0.440  -4.036
   99    HG3  LYS  11           HG1      LYS  11  25.228   1.755  -4.536
  100    HD2  LYS  11           HD2      LYS  11  28.263   1.846  -4.544
  101    HD3  LYS  11           HD1      LYS  11  27.254   1.593  -5.961
  102    HE2  LYS  11           HE2      LYS  11  27.304   4.100  -4.239
  103    HE3  LYS  11           HE1      LYS  11  27.974   3.923  -5.849
  104    HZ1  LYS  11           HZ1      LYS  11  25.561   3.139  -6.395
  105    HZ2  LYS  11           HZ2      LYS  11  25.957   4.791  -6.356
  106    HZ3  LYS  11           HZ3      LYS  11  25.170   4.071  -5.033
  107    H    PHE  12           HN       PHE  12  21.294  -0.845  -3.927
  108    HA   PHE  12           HA       PHE  12  22.200   1.504  -4.605
  109    HB2  PHE  12           HB2      PHE  12  20.432   2.156  -2.323
  110    HB3  PHE  12           HB1      PHE  12  21.899   3.075  -2.586
  111    HD1  PHE  12           HD2      PHE  12  20.768   2.111  -5.866
  112    HD2  PHE  12           HD1      PHE  12  19.851   4.788  -2.611
  113    HE1  PHE  12           HE2      PHE  12  19.627   3.619  -7.425
  114    HE2  PHE  12           HE1      PHE  12  18.718   6.299  -4.211
  115    HZ   PHE  12           HZ       PHE  12  18.598   5.712  -6.607
  116    H    ILE  13           HN       ILE  13  16.894  -0.896  -4.139
  117    HA   ILE  13           HA       ILE  13  19.665  -1.924  -4.296
  118    HB   ILE  13           HB       ILE  13  19.679  -1.094  -6.652
  119   HG12  ILE  13          HG12      ILE  13  17.471  -0.885  -7.792
  120   HG13  ILE  13          HG11      ILE  13  16.682  -0.853  -6.226
  121   HG21  ILE  13          HG21      ILE  13  19.402  -3.438  -6.074
  122   HG22  ILE  13          HG22      ILE  13  18.444  -3.032  -7.498
  123   HG23  ILE  13          HG23      ILE  13  17.662  -3.209  -5.932
  124   HD11  ILE  13          HD11      ILE  13  17.308   1.310  -5.818
  125   HD12  ILE  13          HD12      ILE  13  17.381   1.367  -7.572
  126   HD13  ILE  13          HD13      ILE  13  18.855   1.130  -6.649
  127    H    ARG  14           HN       ARG  14  17.181  -3.575  -0.646
  128    HA   ARG  14           HA       ARG  14  15.585  -2.847  -2.914
  129    HB2  ARG  14           HB2      ARG  14  15.746  -0.437  -2.626
  130    HB3  ARG  14           HB1      ARG  14  14.710  -1.185  -1.430
  131    HG2  ARG  14           HG2      ARG  14  17.585  -0.327  -0.962
  132    HG3  ARG  14           HG1      ARG  14  16.171   0.604  -0.494
  133    HD2  ARG  14           HD2      ARG  14  16.952  -2.121   0.604
  134    HD3  ARG  14           HD1      ARG  14  17.025  -0.592   1.436
  135    HE   ARG  14           HE       ARG  14  14.391  -0.966   0.556
  136   HH11  ARG  14          HH21      ARG  14  16.721  -2.297   2.746
  137   HH12  ARG  14          HH22      ARG  14  15.537  -2.875   3.870
  138   HH21  ARG  14          HH11      ARG  14  12.836  -1.715   2.031
  139   HH22  ARG  14          HH12      ARG  14  13.338  -2.546   3.466
  140    H    VAL  15           HN       VAL  15  13.507  -5.746   0.252
  141    HA   VAL  15           HA       VAL  15  15.734  -4.253   1.457
  142    HB   VAL  15           HB       VAL  15  17.322  -5.538   0.063
  143   HG11  VAL  15          HG11      VAL  15  17.368  -7.496   1.473
  144   HG12  VAL  15          HG12      VAL  15  15.635  -7.379   1.785
  145   HG13  VAL  15          HG13      VAL  15  16.735  -6.171   2.450
  146   HG21  VAL  15          HG21      VAL  15  14.777  -6.980  -0.699
  147   HG22  VAL  15          HG22      VAL  15  16.324  -7.817  -0.759
  148   HG23  VAL  15          HG23      VAL  15  16.064  -6.378  -1.735
  149    H8   4FU  16           HAM      4FU  16  10.235  -5.937   1.853
  150    H9   4FU  16           HAI      4FU  16  12.088  -3.530   1.918
  151    HAI  4FU  16           HAJ      4FU  16  10.349  -3.492   1.545
  152   H112  4FU  16          HAE       4FU  16   9.828  -4.414   3.766
  153   H111  4FU  16          HAF       4FU  16  10.761  -2.906   3.903
  154    HAG  4FU  16           HAG      4FU  16  12.830  -4.198   4.245
  155    H12  4FU  16           HAH      4FU  16  11.597  -4.654   5.442
  156    HAL  4FU  16           HAL      4FU  16  10.982  -6.610   4.094
  157    HAK  4FU  16           HAK      4FU  16  12.715  -6.653   4.488
  158    H14  4FU  16           HAN      4FU  16  12.327  -7.226   2.124
  159    H    GLY  17           HN       GLY  17  11.368  -7.510   0.166
  160    HA2  GLY  17           HA2      GLY  17  10.865  -7.179  -2.324
  161    HA3  GLY  17           HA1      GLY  17  12.171  -5.998  -2.264
  162    H    VAL  18           HN       VAL  18  13.033  -7.479  -3.968
  163    HA   VAL  18           HA       VAL  18  14.684  -9.603  -2.725
  164    HB   VAL  18           HB       VAL  18  12.875 -10.681  -3.966
  165   HG11  VAL  18          HG11      VAL  18  12.801  -8.565  -5.618
  166   HG12  VAL  18          HG12      VAL  18  12.247 -10.155  -6.134
  167   HG13  VAL  18          HG13      VAL  18  13.853  -9.595  -6.591
  168   HG21  VAL  18          HG21      VAL  18  15.423 -10.859  -5.593
  169   HG22  VAL  18          HG22      VAL  18  14.242 -12.134  -5.294
  170   HG23  VAL  18          HG23      VAL  18  15.267 -11.556  -3.981
  171    H    THR  19           HN       THR  19  16.273  -7.928  -2.586
  172    HA   THR  19           HA       THR  19  18.104  -7.944  -4.743
  173    HB   THR  19           HB       THR  19  16.585  -6.375  -5.768
  174    HG1  THR  19           HG1      THR  19  18.572  -5.790  -6.249
  175   HG21  THR  19          HG21      THR  19  15.423  -5.583  -3.773
  176   HG22  THR  19          HG22      THR  19  16.059  -4.223  -4.682
  177   HG23  THR  19          HG23      THR  19  16.885  -4.762  -3.218
  178    H    ILE  20           HN       ILE  20  19.873  -6.037  -4.253
  179    HA   ILE  20           HA       ILE  20  20.268  -5.995  -1.315
  180    HB   ILE  20           HB       ILE  20  22.630  -6.485  -1.711
  181   HG12  ILE  20          HG12      ILE  20  21.769  -6.899  -4.586
  182   HG13  ILE  20          HG11      ILE  20  22.786  -5.578  -4.010
  183   HG21  ILE  20          HG21      ILE  20  20.846  -8.277  -1.354
  184   HG22  ILE  20          HG22      ILE  20  22.354  -8.824  -2.086
  185   HG23  ILE  20          HG23      ILE  20  20.930  -8.563  -3.092
  186   HD11  ILE  20          HD11      ILE  20  24.251  -7.280  -4.891
  187   HD12  ILE  20          HD12      ILE  20  23.434  -8.536  -3.960
  188   HD13  ILE  20          HD13      ILE  20  24.398  -7.313  -3.133
  189    H    ARG  21           HN       ARG  21  22.006  -4.575  -0.602
  190    HA   ARG  21           HA       ARG  21  22.769  -2.401  -2.254
  191    HB2  ARG  21           HB2      ARG  21  21.752  -0.635  -0.688
  192    HB3  ARG  21           HB1      ARG  21  20.735  -1.384  -1.904
  193    HG2  ARG  21           HG2      ARG  21  19.572  -1.177   0.265
  194    HG3  ARG  21           HG1      ARG  21  19.734  -2.845  -0.229
  195    HD2  ARG  21           HD2      ARG  21  21.538  -1.488   1.784
  196    HD3  ARG  21           HD1      ARG  21  20.135  -2.464   2.200
  197    HE   ARG  21           HE       ARG  21  21.762  -3.964   0.488
  198   HH11  ARG  21          HH21      ARG  21  21.805  -2.565   3.648
  199   HH12  ARG  21          HH22      ARG  21  22.796  -3.807   4.337
  200   HH21  ARG  21          HH11      ARG  21  23.048  -5.608   1.382
  201   HH22  ARG  21          HH12      ARG  21  23.500  -5.533   3.053
  202    H    GLU  22           HN       GLU  22  24.816  -2.738  -1.907
  203    HA   GLU  22           HA       GLU  22  25.933  -1.980   0.721
  204    HB2  GLU  22           HB2      GLU  22  26.786  -4.434  -0.838
  205    HB3  GLU  22           HB1      GLU  22  27.563  -3.828   0.617
  206    HG2  GLU  22           HG2      GLU  22  24.686  -4.772   0.469
  207    HG3  GLU  22           HG1      GLU  22  26.027  -5.750   1.047
  208    H    LYS  23           HN       LYS  23  28.534  -2.146   0.376
  209    HA   LYS  23           HA       LYS  23  30.364  -1.124  -0.566
  210    HB2  LYS  23           HB2      LYS  23  28.879  -1.491  -3.186
  211    HB3  LYS  23           HB1      LYS  23  30.593  -1.167  -2.993
  212    HG2  LYS  23           HG2      LYS  23  29.186  -3.653  -2.002
  213    HG3  LYS  23           HG1      LYS  23  30.141  -3.548  -3.476
  214    HD2  LYS  23           HD2      LYS  23  32.125  -2.911  -2.108
  215    HD3  LYS  23           HD1      LYS  23  31.160  -3.127  -0.650
  216    HE2  LYS  23           HE2      LYS  23  30.730  -5.458  -1.245
  217    HE3  LYS  23           HE1      LYS  23  31.700  -5.262  -2.707
  218    HZ1  LYS  23           HZ1      LYS  23  32.543  -5.589   0.025
  219    HZ2  LYS  23           HZ2      LYS  23  33.328  -4.319  -0.786
  220    HZ3  LYS  23           HZ3      LYS  23  33.386  -5.896  -1.415
  221    HN1  NH2  24           H2       LYS  23  28.217   1.957  -0.470
  222    HN2  NH2  24           H1       LYS  23  28.044   0.469   0.314
  Start of MODEL   10
    1    H1   ACE   0           HA2      ACE   0  10.352   0.539  -2.037
    2    H2   ACE   0           HA3      ACE   0  10.978   1.864  -3.017
    3    H3   ACE   0           HA1      ACE   0   9.484   2.071  -2.105
    4    H    GLU   1           HN       GLU   1  12.567   0.612  -1.105
    5    HA   GLU   1           HA       GLU   1  13.026   2.826   0.795
    6    HB2  GLU   1           HB2      GLU   1  11.812   1.060   2.023
    7    HB3  GLU   1           HB1      GLU   1  13.034  -0.114   1.537
    8    HG2  GLU   1           HG2      GLU   1  14.766   1.196   2.717
    9    HG3  GLU   1           HG1      GLU   1  13.547   2.375   3.193
   10    H    ARG   2           HN       ARG   2  15.135   3.366   1.016
   11    HA   ARG   2           HA       ARG   2  17.158   1.575  -0.203
   12    HB2  ARG   2           HB2      ARG   2  17.222   4.611  -0.256
   13    HB3  ARG   2           HB1      ARG   2  18.456   3.547  -0.895
   14    HG2  ARG   2           HG2      ARG   2  17.208   4.360  -2.768
   15    HG3  ARG   2           HG1      ARG   2  16.727   2.690  -2.535
   16    HD2  ARG   2           HD2      ARG   2  14.652   3.422  -1.448
   17    HD3  ARG   2           HD1      ARG   2  15.154   5.091  -1.560
   18    HE   ARG   2           HE       ARG   2  14.339   5.056  -3.712
   19   HH11  ARG   2          HH21      ARG   2  15.144   1.833  -2.724
   20   HH12  ARG   2          HH22      ARG   2  14.674   1.113  -4.228
   21   HH21  ARG   2          HH11      ARG   2  13.726   4.113  -5.676
   22   HH22  ARG   2          HH12      ARG   2  13.877   2.402  -5.897
   23    H    PHE   3           HN       PHE   3  19.379   1.865   0.691
   24    HA   PHE   3           HA       PHE   3  19.286   2.843   3.510
   25    HB2  PHE   3           HB2      PHE   3  19.525   0.354   3.266
   26    HB3  PHE   3           HB1      PHE   3  21.016   0.655   2.399
   27    HD1  PHE   3           HD2      PHE   3  20.942   3.171   4.933
   28    HD2  PHE   3           HD1      PHE   3  21.528  -1.063   4.380
   29    HE1  PHE   3           HE2      PHE   3  22.199   3.069   7.034
   30    HE2  PHE   3           HE1      PHE   3  22.779  -1.147   6.512
   31    HZ   PHE   3           HZ       PHE   3  23.120   0.917   7.836
   32    H    TYR   4           HN       TYR   4  20.255   4.683   3.509
   33    HA   TYR   4           HA       TYR   4  21.699   6.345   3.301
   34    HB2  TYR   4           HB2      TYR   4  23.030   4.813   4.700
   35    HB3  TYR   4           HB1      TYR   4  23.805   4.209   3.236
   36    HD1  TYR   4           HD1      TYR   4  22.967   7.556   4.756
   37    HD2  TYR   4           HD2      TYR   4  25.925   5.166   2.756
   38    HE1  TYR   4           HE1      TYR   4  24.566   9.439   4.854
   39    HE2  TYR   4           HE2      TYR   4  27.520   7.050   2.861
   40    HH   TYR   4           HH       TYR   4  27.608   9.365   3.154
   41    H    GLU   5           HN       GLU   5  24.426   5.490   1.838
   42    HA   GLU   5           HA       GLU   5  23.611   5.965  -0.918
   43    HB2  GLU   5           HB2      GLU   5  25.404   7.886   0.566
   44    HB3  GLU   5           HB1      GLU   5  25.059   7.927  -1.160
   45    HG2  GLU   5           HG2      GLU   5  22.655   8.278  -0.657
   46    HG3  GLU   5           HG1      GLU   5  23.029   8.282   1.064
   47    H    LYS   6           HN       LYS   6  25.581   6.123  -2.358
   48    HA   LYS   6           HA       LYS   6  27.765   4.361  -1.387
   49    HB2  LYS   6           HB2      LYS   6  27.960   3.515  -3.688
   50    HB3  LYS   6           HB1      LYS   6  26.352   3.206  -3.043
   51    HG2  LYS   6           HG2      LYS   6  25.497   5.208  -4.217
   52    HG3  LYS   6           HG1      LYS   6  27.106   5.499  -4.880
   53    HD2  LYS   6           HD2      LYS   6  27.046   3.295  -5.995
   54    HD3  LYS   6           HD1      LYS   6  25.428   3.018  -5.350
   55    HE2  LYS   6           HE2      LYS   6  26.211   5.300  -7.188
   56    HE3  LYS   6           HE1      LYS   6  25.335   3.850  -7.678
   57    HZ1  LYS   6           HZ1      LYS   6  24.407   6.167  -6.214
   58    HZ2  LYS   6           HZ2      LYS   6  23.874   4.674  -5.601
   59    HZ3  LYS   6           HZ3      LYS   6  23.549   5.098  -7.213
   60    HAC  4G6   7           HAC      4G6   7  33.470   5.252  -3.331
   61    HAB  4G6   7           HAB      4G6   7  31.905   4.436  -3.100
   62    HAA  4G6   7           HAA      4G6   7  32.089   5.664  -4.375
   63    HAF  4G6   7           HAF      4G6   7  33.069   8.148  -1.614
   64    HAD  4G6   7           HAD      4G6   7  32.398   8.391  -3.246
   65    HAE  4G6   7           HAE      4G6   7  33.824   7.351  -3.013
   66    HAL  4G6   7           HAL      4G6   7  32.942   5.480  -0.765
   67    HAH  4G6   7           HAH      4G6   7  30.450   7.058  -3.786
   68    HAG  4G6   7           HAG      4G6   7  30.308   7.810  -2.184
   69    H    4G6   7           H          4G6   7  29.858   5.049  -1.805
   70    HA   DPR   8           HA       PRO   8  32.613   5.414   1.409
   71    HB2  DPR   8           HB2      PRO   8  31.815   7.141   2.746
   72    HB3  DPR   8           HB1      PRO   8  30.154   6.978   2.142
   73    HG2  DPR   8           HG2      PRO   8  31.544   5.458   4.283
   74    HG3  DPR   8           HG1      PRO   8  29.826   5.849   4.113
   75    HD2  DPR   8           HD2      PRO   8  31.042   3.356   3.483
   76    HD3  DPR   8           HD1      PRO   8  29.395   3.855   3.037
   77    H    VAL   9           HN       VAL   9  28.064   3.024   0.890
   78    HA   VAL   9           HA       VAL   9  30.441   1.652   1.926
   79    HB   VAL   9           HB       VAL   9  29.562   0.104   0.256
   80   HG11  VAL   9          HG11      VAL   9  28.947   0.677  -1.907
   81   HG12  VAL   9          HG12      VAL   9  30.009   2.078  -1.966
   82   HG13  VAL   9          HG13      VAL   9  28.495   2.158  -1.067
   83   HG21  VAL   9          HG21      VAL   9  32.099   0.728   0.517
   84   HG22  VAL   9          HG22      VAL   9  31.906   1.456  -1.078
   85   HG23  VAL   9          HG23      VAL   9  31.595  -0.263  -0.852
   86    H    GLN  10           HN       GLN  10  25.740   0.174   1.514
   87    HA   GLN  10           HA       GLN  10  26.283   2.961   2.365
   88    HB2  GLN  10           HB2      GLN  10  24.980   1.695   4.053
   89    HB3  GLN  10           HB1      GLN  10  26.201   0.428   4.033
   90    HG2  GLN  10           HG2      GLN  10  26.559   1.913   5.942
   91    HG3  GLN  10           HG1      GLN  10  27.892   2.064   4.804
   92   HE21  GLN  10          HE21      GLN  10  28.476   4.215   4.522
   93   HE22  GLN  10          HE22      GLN  10  27.402   5.527   4.548
   94    H    LYS  11           HN       LYS  11  22.194   1.186   0.554
   95    HA   LYS  11           HA       LYS  11  24.631  -0.210  -0.099
   96    HB2  LYS  11           HB2      LYS  11  25.184   1.550  -1.926
   97    HB3  LYS  11           HB1      LYS  11  24.235   0.130  -2.326
   98    HG2  LYS  11           HG2      LYS  11  23.292   2.201  -3.301
   99    HG3  LYS  11           HG1      LYS  11  22.179   1.399  -2.208
  100    HD2  LYS  11           HD2      LYS  11  22.701   3.003  -0.461
  101    HD3  LYS  11           HD1      LYS  11  23.886   3.786  -1.507
  102    HE2  LYS  11           HE2      LYS  11  21.706   4.989  -1.537
  103    HE3  LYS  11           HE1      LYS  11  22.081   4.313  -3.120
  104    HZ1  LYS  11           HZ1      LYS  11  19.758   3.969  -2.062
  105    HZ2  LYS  11           HZ2      LYS  11  20.529   2.733  -1.188
  106    HZ3  LYS  11           HZ3      LYS  11  20.503   2.691  -2.885
  107    H    PHE  12           HN       PHE  12  19.995  -2.298  -1.286
  108    HA   PHE  12           HA       PHE  12  20.298   0.173   0.309
  109    HB2  PHE  12           HB2      PHE  12  20.722  -2.745   0.962
  110    HB3  PHE  12           HB1      PHE  12  21.177  -1.472   2.058
  111    HD1  PHE  12           HD2      PHE  12  18.234  -0.278   0.489
  112    HD2  PHE  12           HD1      PHE  12  19.517  -3.227   3.331
  113    HE1  PHE  12           HE2      PHE  12  16.003  -0.306   1.433
  114    HE2  PHE  12           HE1      PHE  12  17.228  -3.236   4.290
  115    HZ   PHE  12           HZ       PHE  12  15.481  -1.756   3.319
  116    H    ILE  13           HN       ILE  13  16.559  -0.304  -2.463
  117    HA   ILE  13           HA       ILE  13  18.523  -2.425  -2.718
  118    HB   ILE  13           HB       ILE  13  19.954  -1.234  -4.338
  119   HG12  ILE  13          HG12      ILE  13  18.875   0.454  -5.859
  120   HG13  ILE  13          HG11      ILE  13  17.542   0.570  -4.723
  121   HG21  ILE  13          HG21      ILE  13  18.318  -3.048  -4.957
  122   HG22  ILE  13          HG22      ILE  13  18.778  -1.978  -6.280
  123   HG23  ILE  13          HG23      ILE  13  17.216  -1.779  -5.490
  124   HD11  ILE  13          HD11      ILE  13  20.184   0.964  -3.467
  125   HD12  ILE  13          HD12      ILE  13  18.716   1.936  -3.348
  126   HD13  ILE  13          HD13      ILE  13  19.797   2.146  -4.708
  127    H    ARG  14           HN       ARG  14  14.294  -2.757  -4.893
  128    HA   ARG  14           HA       ARG  14  14.455  -0.693  -3.090
  129    HB2  ARG  14           HB2      ARG  14  14.686  -1.682  -0.894
  130    HB3  ARG  14           HB1      ARG  14  13.069  -1.978  -1.493
  131    HG2  ARG  14           HG2      ARG  14  15.324  -3.999  -1.588
  132    HG3  ARG  14           HG1      ARG  14  14.104  -3.931  -0.327
  133    HD2  ARG  14           HD2      ARG  14  13.581  -4.446  -3.265
  134    HD3  ARG  14           HD1      ARG  14  13.548  -5.640  -1.982
  135    HE   ARG  14           HE       ARG  14  11.801  -3.517  -1.318
  136   HH11  ARG  14          HH21      ARG  14  12.148  -6.272  -3.378
  137   HH12  ARG  14          HH22      ARG  14  10.449  -6.439  -3.670
  138   HH21  ARG  14          HH11      ARG  14   9.573  -3.731  -1.694
  139   HH22  ARG  14          HH12      ARG  14   8.992  -5.001  -2.718
  140    H    VAL  15           HN       VAL  15  11.446  -4.673  -4.495
  141    HA   VAL  15           HA       VAL  15  12.526  -2.674  -6.332
  142    HB   VAL  15           HB       VAL  15   9.852  -2.223  -4.976
  143   HG11  VAL  15          HG11      VAL  15  11.744  -0.431  -6.509
  144   HG12  VAL  15          HG12      VAL  15  11.008  -0.149  -4.933
  145   HG13  VAL  15          HG13      VAL  15  10.024  -0.064  -6.390
  146   HG21  VAL  15          HG21      VAL  15  10.660  -2.596  -7.874
  147   HG22  VAL  15          HG22      VAL  15   9.136  -1.852  -7.401
  148   HG23  VAL  15          HG23      VAL  15   9.469  -3.523  -6.959
  149    H8   4FU  16           HAM      4FU  16  11.819  -8.455  -6.978
  150    H9   4FU  16           HAI      4FU  16  11.825  -6.079  -8.878
  151    HAI  4FU  16           HAJ      4FU  16  12.126  -7.776  -9.300
  152   H112  4FU  16          HAE       4FU  16   9.877  -8.407  -8.575
  153   H111  4FU  16          HAF       4FU  16   9.801  -7.124  -9.804
  154    HAG  4FU  16           HAG      4FU  16   9.525  -5.432  -8.018
  155    H12  4FU  16           HAH      4FU  16   8.255  -6.674  -7.934
  156    HAL  4FU  16           HAL      4FU  16   9.532  -7.861  -6.190
  157    HAK  4FU  16           HAK      4FU  16   9.176  -6.192  -5.687
  158    H14  4FU  16           HAN      4FU  16  11.515  -6.806  -5.194
  159    H    GLY  17           HN       GLY  17  13.990  -8.483  -8.378
  160    HA2  GLY  17           HA2      GLY  17  16.286  -8.300  -8.295
  161    HA3  GLY  17           HA1      GLY  17  16.023  -6.605  -7.887
  162    H    VAL  18           HN       VAL  18  14.373  -8.520  -5.741
  163    HA   VAL  18           HA       VAL  18  14.606  -8.811  -3.460
  164    HB   VAL  18           HB       VAL  18  17.298  -9.852  -4.417
  165   HG11  VAL  18          HG11      VAL  18  17.508  -9.861  -2.085
  166   HG12  VAL  18          HG12      VAL  18  16.805 -11.446  -2.378
  167   HG13  VAL  18          HG13      VAL  18  15.780 -10.122  -1.830
  168   HG21  VAL  18          HG21      VAL  18  16.185 -11.983  -4.686
  169   HG22  VAL  18          HG22      VAL  18  15.262 -10.774  -5.580
  170   HG23  VAL  18          HG23      VAL  18  14.688 -11.339  -4.010
  171    H    THR  19           HN       THR  19  16.409  -8.502  -1.583
  172    HA   THR  19           HA       THR  19  17.371  -5.714  -1.900
  173    HB   THR  19           HB       THR  19  16.579  -7.235   0.598
  174    HG1  THR  19           HG1      THR  19  15.199  -5.836  -1.268
  175   HG21  THR  19          HG21      THR  19  18.187  -5.587   1.205
  176   HG22  THR  19          HG22      THR  19  16.618  -4.847   1.522
  177   HG23  THR  19          HG23      THR  19  17.519  -4.413   0.070
  178    H    ILE  20           HN       ILE  20  19.488  -5.382  -1.852
  179    HA   ILE  20           HA       ILE  20  21.263  -7.254  -0.406
  180    HB   ILE  20           HB       ILE  20  22.913  -6.933  -2.199
  181   HG12  ILE  20          HG12      ILE  20  20.678  -5.460  -3.623
  182   HG13  ILE  20          HG11      ILE  20  22.140  -4.713  -2.982
  183   HG21  ILE  20          HG21      ILE  20  21.169  -8.793  -2.240
  184   HG22  ILE  20          HG22      ILE  20  21.915  -8.410  -3.792
  185   HG23  ILE  20          HG23      ILE  20  20.295  -7.817  -3.420
  186   HD11  ILE  20          HD11      ILE  20  21.915  -6.700  -5.246
  187   HD12  ILE  20          HD12      ILE  20  23.448  -6.349  -4.449
  188   HD13  ILE  20          HD13      ILE  20  22.580  -5.068  -5.294
  189    H    ARG  21           HN       ARG  21  23.081  -6.224   0.607
  190    HA   ARG  21           HA       ARG  21  23.059  -3.260   0.541
  191    HB2  ARG  21           HB2      ARG  21  23.399  -3.219   2.971
  192    HB3  ARG  21           HB1      ARG  21  21.862  -3.961   2.543
  193    HG2  ARG  21           HG2      ARG  21  22.862  -6.198   2.782
  194    HG3  ARG  21           HG1      ARG  21  24.406  -5.461   3.216
  195    HD2  ARG  21           HD2      ARG  21  23.158  -6.131   5.234
  196    HD3  ARG  21           HD1      ARG  21  23.354  -4.382   5.162
  197    HE   ARG  21           HE       ARG  21  20.909  -5.041   3.933
  198   HH11  ARG  21          HH21      ARG  21  22.469  -5.118   7.021
  199   HH12  ARG  21          HH22      ARG  21  21.005  -4.897   7.920
  200   HH21  ARG  21          HH11      ARG  21  18.985  -4.751   5.106
  201   HH22  ARG  21          HH12      ARG  21  19.033  -4.689   6.837
  202    H    GLU  22           HN       GLU  22  24.940  -2.217   0.669
  203    HA   GLU  22           HA       GLU  22  27.401  -3.855   0.637
  204    HB2  GLU  22           HB2      GLU  22  26.895  -1.101  -0.480
  205    HB3  GLU  22           HB1      GLU  22  28.464  -1.906  -0.471
  206    HG2  GLU  22           HG2      GLU  22  27.337  -2.221  -2.638
  207    HG3  GLU  22           HG1      GLU  22  27.529  -3.759  -1.803
  208    H    LYS  23           HN       LYS  23  29.319  -3.047   1.643
  209    HA   LYS  23           HA       LYS  23  28.744  -1.560   4.134
  210    HB2  LYS  23           HB2      LYS  23  30.735  -2.709   5.042
  211    HB3  LYS  23           HB1      LYS  23  29.504  -3.838   4.483
  212    HG2  LYS  23           HG2      LYS  23  30.722  -4.171   2.378
  213    HG3  LYS  23           HG1      LYS  23  31.925  -2.984   2.861
  214    HD2  LYS  23           HD2      LYS  23  32.800  -5.235   3.222
  215    HD3  LYS  23           HD1      LYS  23  32.575  -4.430   4.768
  216    HE2  LYS  23           HE2      LYS  23  30.483  -5.668   5.135
  217    HE3  LYS  23           HE1      LYS  23  30.637  -6.425   3.549
  218    HZ1  LYS  23           HZ1      LYS  23  31.715  -8.005   4.674
  219    HZ2  LYS  23           HZ2      LYS  23  31.971  -7.016   6.031
  220    HZ3  LYS  23           HZ3      LYS  23  33.022  -6.926   4.700
  221    HN1  NH2  24           H2       LYS  23  31.123   0.933   3.576
  222    HN2  NH2  24           H1       LYS  23  30.027   0.243   4.666