*HEADER    DE NOVO PROTEIN                         24-OCT-17   6BE7              
*TITLE     SOLUTION STRUCTURE OF DE NOVO MACROCYCLE DESIGN8.1                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DDPT(DPR)(DAR)Q(DGN);                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: HEAD TO TAIL CYCLIC BETWEEN POSITION 1 AND 8          
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_TAXID: 9606                                                 
*KEYWDS    MACROCYCLE, DESIGN, DE NOVO PROTEIN                                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.D.SHORTRIDGE,P.HOSSEINZADEH,F.PARDO-AVILA,G.VARANI,D.BAKER          
*REVDAT   1   03-JAN-18 6BE7    0                                                
# Restraints file 1: Slant_052117_noe.tbl
!-------------------------------------------------------------------------!
!NOE Table for SLANT peptide !
!Updated 052117 mds
!SLANT, 8mer ASP ASP PRO THR pro arg GLN gln
!Upper case L-Amino Acid
!Lower case D-Amino Acid
!
!! NOE binning !!
!strong     2.5 0.7 0.7
!medium     3.5 1.2 1.2
!weak       4.5 1.6 1.6
!very weak  5.0 2.0 2.0

!TOTAL NOES                = 170 
!long range          (j-i >6)  = 8 
!short range    (2 > j-i < 5)  = 30
!sequential          (i to j)  = 48
!intraresidue        (i to i)  = 84

!------------------------------------------------------------------------!

!! BACKBONE !!

!! HA-HN !!
 assign ( resid  1 and name HA   ) ( resid  1 and name HN   ) 3.5 1.2 1.2
 assign ( resid  1 and name HA   ) ( resid  2 and name HN   ) 3.5 1.2 1.2
 assign ( resid  2 and name HA   ) ( resid  2 and name HN   ) 3.5 1.2 1.2
 assign ( resid  2 and name HA   ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HA   ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HA   ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HA   ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HA   ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HA   ) ( resid  4 and name HN   ) 3.5 1.2 1.2
 assign ( resid  4 and name HA   ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HA   ) ( resid  6 and name HN   ) 3.5 1.2 1.2
 assign ( resid  5 and name HA   ) ( resid  7 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HA   ) ( resid  6 and name HN   ) 3.5 1.2 1.2
 assign ( resid  6 and name HA   ) ( resid  7 and name HN   ) 3.5 1.2 1.2
 assign ( resid  7 and name HA   ) ( resid  7 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HA   ) ( resid  1 and name HN   ) 2.5 0.7 0.7
 assign ( resid  8 and name HA   ) ( resid  2 and name HN   ) 3.5 1.2 1.2
 assign ( resid  8 and name HA   ) ( resid  8 and name HN   ) 3.5 1.2 1.2



!! HA-HA !!
 assign ( resid  1 and name HA   ) ( resid  8 and name HA   ) 4.5 1.6 1.6
 assign ( resid  3 and name HA   ) ( resid  4 and name HA   ) 4.5 1.6 1.6
 assign ( resid  4 and name HA   ) ( resid  3 and name HA   ) 4.5 1.6 1.6
 assign ( resid  6 and name HA   ) ( resid  5 and name HA   ) 4.5 1.6 1.6
 assign ( resid  6 and name HA   ) ( resid  7 and name HA   ) 4.5 1.6 1.6
 assign ( resid  7 and name HA   ) ( resid  6 and name HA   ) 4.5 1.6 1.6




!! HN-HN !!
 assign ( resid  2 and name HN   ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HN   ) ( resid  6 and name HN   ) 3.5 1.2 1.2
 assign ( resid  7 and name HN   ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HN   ) ( resid  1 and name HN   ) 4.5 1.6 1.6



!! SIDE CHAIN !!

 assign ( resid  1 and name HB1  ) ( resid  1 and name HN   ) 3.5 1.2 1.2
 assign ( resid  1 and name HB2  ) ( resid  1 and name HN   ) 3.5 1.2 1.2
! assign ( resid  1 and name HA  ) ( resid  6 and name HE   ) 4.5 1.6 1.6
 assign ( resid  1 and name HB1  ) ( resid  1 and name HA   ) 4.5 1.6 1.6
 assign ( resid  1 and name HB1  ) ( resid  8 and name HA   ) 4.5 1.6 1.6
 assign ( resid  1 and name HB2  ) ( resid  1 and name HA   ) 4.5 1.6 1.6



! assign ( resid  2 and name HB2  ) ( resid  6 and name HD# ) 4.5 1.6 1.6
 assign ( resid  2 and name HA   ) ( resid  1 and name HB2  ) 3.5 1.2 1.2
 assign ( resid  2 and name HA   ) ( resid  2 and name HB1  ) 3.5 1.2 1.2
 assign ( resid  2 and name HB1  ) ( resid  2 and name HN   ) 3.5 1.2 1.2
 assign ( resid  2 and name HB2  ) ( resid  2 and name HB1  ) 2.5 0.7 0.7
 assign ( resid  2 and name HB2  ) ( resid  2 and name HN   ) 3.5 1.2 1.2
 assign ( resid  2 and name HA   ) ( resid  3 and name HG#  ) 4.5 1.6 1.6
 assign ( resid  2 and name HB1  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HB1  ) ( resid  2 and name HA   ) 4.5 1.6 1.6
 assign ( resid  2 and name HB1  ) ( resid  3 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  2 and name HB1  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
! assign ( resid  2 and name HB1  ) ( resid  8 and name HA   ) 4.5 1.6 1.6
 assign ( resid  2 and name HB1  ) ( resid  7 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HB2  ) ( resid  2 and name HA   ) 4.5 1.6 1.6
 assign ( resid  2 and name HB2  ) ( resid  3 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  2 and name HB2  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HB2  ) ( resid  7 and name HN   ) 4.5 1.6 1.6



 assign ( resid  3 and name HA   ) ( resid  3 and name HB#  ) 3.5 1.2 1.2
 assign ( resid  3 and name HB1  ) ( resid  3 and name HA   ) 3.5 1.2 1.2
 assign ( resid  3 and name HD#  ) ( resid  3 and name HA   ) 3.5 1.2 1.2
 assign ( resid  3 and name HD2  ) ( resid  3 and name HG#  ) 3.5 1.2 1.2
 assign ( resid  3 and name HD2  ) ( resid  4 and name HN   ) 3.5 1.2 1.2
 assign ( resid  3 and name HG#  ) ( resid  3 and name HA   ) 3.5 1.2 1.2
 assign ( resid  3 and name HG#  ) ( resid  3 and name HD2  ) 3.5 1.2 1.2
 assign ( resid  3 and name HG#  ) ( resid  3 and name HD1  ) 3.5 1.2 1.2
 assign ( resid  3 and name HG#  ) ( resid  4 and name HN   ) 3.5 1.2 1.2
 assign ( resid  3 and name HA   ) ( resid  6 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  3 and name HA   ) ( resid  6 and name HE   ) 4.5 1.6 1.6
 assign ( resid  3 and name HB#  ) ( resid  6 and name HE   ) 4.5 1.6 1.6
 assign ( resid  3 and name HB#  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HB1  ) ( resid  3 and name HD1  ) 4.5 1.6 1.6
 assign ( resid  3 and name HB1  ) ( resid  3 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  3 and name HD1  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
! assign ( resid  3 and name HD1  ) ( resid  7 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HD2  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HD2  ) ( resid  3 and name HB#  ) 4.5 1.6 1.6
 assign ( resid  3 and name HD2  ) ( resid  3 and name HB2  ) 4.5 1.6 1.6



 assign ( resid  4 and name HB#  ) ( resid  4 and name HA   ) 3.5 1.2 1.2
 assign ( resid  4 and name HB#  ) ( resid  4 and name HN   ) 3.5 1.2 1.2
 assign ( resid  4 and name HG2# ) ( resid  4 and name HA   ) 3.5 1.2 1.2
 assign ( resid  4 and name HG2# ) ( resid  4 and name HB#  ) 3.5 1.2 1.2
 assign ( resid  4 and name HA   ) ( resid  3 and name HB#  ) 4.5 1.6 1.6
 assign ( resid  4 and name HB#  ) ( resid  7 and name HG1  ) 4.5 1.6 1.6
 assign ( resid  4 and name HB#  ) ( resid  7 and name HG2  ) 4.5 1.6 1.6
! assign ( resid  4 and name HG2# ) ( resid  3 and name HD1  ) 4.5 1.6 1.6
 assign ( resid  4 and name HG2# ) ( resid  3 and name HG#  ) 4.5 1.6 1.6
 assign ( resid  4 and name HG2# ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HG2# ) ( resid  5 and name HA   ) 4.5 1.6 1.6
 assign ( resid  4 and name HG2# ) ( resid  5 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  4 and name HG2# ) ( resid  5 and name HD1  ) 4.5 1.6 1.6
 assign ( resid  4 and name HG2# ) ( resid  5 and name HG#  ) 4.5 1.6 1.6
 assign ( resid  4 and name HG2# ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HG2# ) ( resid  7 and name HG1  ) 4.5 1.6 1.6
 assign ( resid  4 and name HG2# ) ( resid  7 and name HG2  ) 4.5 1.6 1.6
! assign ( resid  4 and name HG2# ) ( resid  8 and name HB#  ) 4.5 1.6 1.6



 assign ( resid  5 and name HD2  ) ( resid  5 and name HD1  ) 2.5 0.7 0.7 
 assign ( resid  5 and name HB#  ) ( resid  5 and name HA   ) 3.5 1.2 1.2
 assign ( resid  5 and name HD1  ) ( resid  4 and name HA   ) 3.5 1.2 1.2
 assign ( resid  5 and name HD2  ) ( resid  4 and name HA   ) 3.5 1.2 1.2
 assign ( resid  5 and name HD2  ) ( resid  5 and name HG#  ) 3.5 1.2 1.2
 assign ( resid  5 and name HG#  ) ( resid  3 and name HA   ) 3.5 1.2 1.2
 assign ( resid  5 and name HG#  ) ( resid  5 and name HA   ) 3.5 1.2 1.2
 assign ( resid  5 and name HG#  ) ( resid  5 and name HD2  ) 3.5 1.2 1.2
 assign ( resid  5 and name HG#  ) ( resid  5 and name HD1  ) 3.5 1.2 1.2
 assign ( resid  5 and name HA   ) ( resid  5 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  5 and name HA   ) ( resid  7 and name HG1  ) 4.5 1.6 1.6
 assign ( resid  5 and name HA   ) ( resid  7 and name HG2  ) 4.5 1.6 1.6
 assign ( resid  5 and name HB#  ) ( resid  5 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  5 and name HB#  ) ( resid  5 and name HD1  ) 4.5 1.6 1.6
 assign ( resid  5 and name HB#  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HD1  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HD1  ) ( resid  5 and name HA   ) 4.5 1.6 1.6
 assign ( resid  5 and name HD1  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HD2  ) ( resid  4 and name HB#  ) 4.5 1.6 1.6
 assign ( resid  5 and name HD2  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HD2  ) ( resid  5 and name HA   ) 4.5 1.6 1.6
 assign ( resid  5 and name HD2  ) ( resid  5 and name HG#  ) 3.5 1.2 1.2
 assign ( resid  5 and name HD2  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HG#  ) ( resid  6 and name HN   ) 4.5 1.6 1.6



 assign ( resid  6 and name HA   ) ( resid  6 and name HB1  ) 3.5 1.2 1.2
 assign ( resid  6 and name HA   ) ( resid  6 and name HB2  ) 3.5 1.2 1.2
 assign ( resid  6 and name HA   ) ( resid  6 and name HG1  ) 3.5 1.2 1.2
 assign ( resid  6 and name HB1  ) ( resid  6 and name HA   ) 3.5 1.2 1.2
 assign ( resid  6 and name HB1  ) ( resid  6 and name HN   ) 3.5 1.2 1.2
 assign ( resid  6 and name HB2  ) ( resid  6 and name HA   ) 3.5 1.2 1.2
 assign ( resid  6 and name HB2  ) ( resid  6 and name HN   ) 3.5 1.2 1.2
 assign ( resid  6 and name HG1  ) ( resid  6 and name HA   ) 3.5 1.2 1.2
 assign ( resid  6 and name HG1  ) ( resid  6 and name HN   ) 3.5 1.2 1.2
 assign ( resid  6 and name HG2  ) ( resid  6 and name HA   ) 3.5 1.2 1.2
! assign ( resid  6 and name HA   ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HA   ) ( resid  6 and name HE   ) 4.5 1.6 1.6
 assign ( resid  6 and name HA   ) ( resid  6 and name HG2  ) 4.5 1.6 1.6
 assign ( resid  6 and name HB1  ) ( resid  3 and name HA   ) 4.5 1.6 1.6
 assign ( resid  6 and name HB1  ) ( resid  6 and name HD#  ) 4.5 1.6 1.6
 assign ( resid  6 and name HB1  ) ( resid  6 and name HE   ) 4.5 1.6 1.6
 assign ( resid  6 and name HB1  ) ( resid  7 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HB2  ) ( resid  6 and name HD#  ) 4.5 1.6 1.6
 assign ( resid  6 and name HB2  ) ( resid  6 and name HE   ) 4.5 1.6 1.6
 assign ( resid  6 and name HB2  ) ( resid  7 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HD#  ) ( resid  3 and name HA   ) 4.5 1.6 1.6
 assign ( resid  6 and name HD#  ) ( resid  6 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  6 and name HD#  ) ( resid  6 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  6 and name HD#  ) ( resid  6 and name HE   ) 3.5 1.2 1.2
 assign ( resid  6 and name HD#  ) ( resid  6 and name HG1  ) 3.5 1.2 1.2
 assign ( resid  6 and name HD#  ) ( resid  6 and name HG2  ) 3.5 1.2 1.2
 assign ( resid  6 and name HG#  ) ( resid  8 and name HN   ) 3.5 1.2 1.2
 assign ( resid  6 and name HG1  ) ( resid  7 and name HN   ) 4.5 1.6 1.6
! assign ( resid  6 and name HG2  ) ( resid  3 and name HA   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG2  ) ( resid  6 and name HD#  ) 3.5 1.2 1.2
 assign ( resid  6 and name HG2  ) ( resid  6 and name HE   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG2  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG2  ) ( resid  7 and name HN   ) 4.5 1.6 1.6


 assign ( resid  7 and name HB2  ) ( resid  7 and name HB1  ) 2.5 0.7 0.7
 assign ( resid  7 and name HG1  ) ( resid  7 and name HG2  ) 2.5 0.7 0.7
 assign ( resid  7 and name HG2  ) ( resid  7 and name HG1  ) 2.5 0.7 0.7
 assign ( resid  7 and name HG1  ) ( resid  8 and name HA   ) 4.5 1.6 1.6
 assign ( resid  7 and name HB1  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HB1  ) ( resid  7 and name HA   ) 4.5 1.6 1.6
 assign ( resid  7 and name HB1  ) ( resid  7 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HB1  ) ( resid  8 and name HA   ) 4.5 1.6 1.6
 assign ( resid  7 and name HB1  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HB2  ) ( resid  2 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  7 and name HB2  ) ( resid  2 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  7 and name HB2  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HB2  ) ( resid  6 and name HE   ) 4.5 1.6 1.6
 assign ( resid  7 and name HB2  ) ( resid  7 and name HA   ) 4.5 1.6 1.6
 assign ( resid  7 and name HB2  ) ( resid  7 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HG1  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HG1  ) ( resid  7 and name HA   ) 4.5 1.6 1.6
 assign ( resid  7 and name HG1  ) ( resid  7 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HG2  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HG2  ) ( resid  6 and name HA   ) 4.5 1.6 1.6
 assign ( resid  7 and name HG2  ) ( resid  7 and name HA   ) 4.5 1.6 1.6
 assign ( resid  7 and name HG2  ) ( resid  7 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HG2  ) ( resid  8 and name HN   ) 4.5 1.6 1.6


 assign ( resid  8 and name HG1  ) ( resid  8 and name HG2  ) 2.5 0.7 0.7
 assign ( resid  8 and name HE22 ) ( resid  8 and name HE21 ) 2.5 0.7 0.7
 assign ( resid  8 and name HB#  ) ( resid  8 and name HA   ) 3.5 1.2 1.2
 assign ( resid  8 and name HB#  ) ( resid  8 and name HN   ) 3.5 1.2 1.2
 assign ( resid  8 and name HB#  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HG#  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HG#  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HN   ) ( resid  6 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  8 and name HN   ) ( resid  6 and name HE   ) 4.5 1.6 1.6


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP   1           HN       ASP   1  37.580  20.500  23.230
    2    HA   ASP   1           HA       ASP   1  35.090  21.510  24.390
    3    HB2  ASP   1           HB2      ASP   1  37.880  22.450  24.840
    4    HB3  ASP   1           HB1      ASP   1  36.460  22.630  25.890
    5    H    ASP   2           HN       ASP   2  37.260  22.500  21.830
    6    HA   ASP   2           HA       ASP   2  35.870  25.000  21.450
    7    HB2  ASP   2           HB2      ASP   2  38.400  24.580  20.800
    8    HB3  ASP   2           HB1      ASP   2  37.740  23.510  19.590
    9    HA   PRO   3           HA       PRO   3  32.870  22.830  18.960
   10    HB2  PRO   3           HB2      PRO   3  31.440  24.840  17.880
   11    HB3  PRO   3           HB1      PRO   3  31.320  24.300  19.560
   12    HG2  PRO   3           HG2      PRO   3  33.190  26.440  18.470
   13    HG3  PRO   3           HG1      PRO   3  31.980  26.740  19.770
   14    HD2  PRO   3           HD2      PRO   3  34.440  26.290  20.430
   15    HD3  PRO   3           HD1      PRO   3  33.140  25.400  21.250
   16    H    THR   4           HN       THR   4  35.260  25.120  17.750
   17    HA   THR   4           HA       THR   4  34.520  25.170  15.050
   18    HB   THR   4           HB       THR   4  37.410  25.580  15.900
   19    HG1  THR   4           HG1      THR   4  36.310  26.730  17.340
   20   HG21  THR   4          1HG2      THR   4  37.140  27.320  14.180
   21   HG22  THR   4          2HG2      THR   4  35.550  26.680  13.610
   22   HG23  THR   4          3HG2      THR   4  36.910  25.740  13.540
   23    HA   DPR   5           HA       DPR   5  36.710  21.720  13.400
   24    HB2  DPR   5           HB2      DPR   5  35.530  22.310  11.380
   25    HB3  DPR   5           HB1      DPR   5  34.760  20.770  11.750
   26    HG2  DPR   5           HG2      DPR   5  33.560  23.140  11.290
   27    HG3  DPR   5           HG1      DPR   5  32.830  22.070  12.570
   28    HD2  DPR   5           HD2      DPR   5  34.540  24.510  12.810
   29    HD3  DPR   5           HD1      DPR   5  33.290  23.960  13.960
   30    H    DAR   6           HN       DAR   6  34.210  21.580  15.720
   31    HA   DAR   6           HA       DAR   6  33.850  18.740  15.820
   32    HB2  DAR   6           HB2      DAR   6  33.940  20.960  17.920
   33    HB3  DAR   6           HB1      DAR   6  32.580  20.580  16.950
   34    HG2  DAR   6           HG2      DAR   6  32.740  18.080  17.750
   35    HG3  DAR   6           HG1      DAR   6  33.880  18.730  18.920
   36    HD2  DAR   6           HD2      DAR   6  31.080  19.690  18.780
   37    HD3  DAR   6           HD1      DAR   6  31.640  18.440  19.870
   38    HE   DAR   6           HE       DAR   6  33.200  20.210  20.800
   39   HH11  DAR   6          1HH1      DAR   6  32.920  22.120  21.990
   40   HH12  DAR   6          2HH1      DAR   6  31.450  22.890  22.020
   41   HH21  DAR   6          1HH2      DAR   6  29.910  20.810  19.640
   42   HH22  DAR   6          2HH2      DAR   6  29.680  22.190  20.720
   43    H    GLN   7           HN       GLN   7  36.330  20.830  17.090
   44    HA   GLN   7           HA       GLN   7  38.310  18.740  17.210
   45    HB2  GLN   7           HB2      GLN   7  38.330  21.560  18.340
   46    HB3  GLN   7           HB1      GLN   7  39.620  20.380  18.530
   47    HG2  GLN   7           HG2      GLN   7  40.160  20.290  16.200
   48    HG3  GLN   7           HG1      GLN   7  38.710  21.070  15.780
   49   HE21  GLN   7          1HE2      GLN   7  38.490  23.250  16.060
   50   HE22  GLN   7          2HE2      GLN   7  39.790  24.340  16.650
   51    H    DGN   8           HN       DGN   8  36.180  20.200  19.740
   52    HA   DGN   8           HA       DGN   8  37.400  18.790  21.910
   53    HB2  DGN   8           HB2      DGN   8  34.640  18.010  20.880
   54    HB3  DGN   8           HB1      DGN   8  36.060  16.940  20.960
   55    HG2  DGN   8           HG2      DGN   8  34.930  16.120  22.820
   56    HG3  DGN   8           HG1      DGN   8  35.850  17.460  23.550
   57   HE21  DGN   8          1HE2      DGN   8  32.810  17.030  21.760
   58   HE22  DGN   8          2HE2      DGN   8  31.810  17.950  22.890
  Start of MODEL    2
    1    H1   ASP   1           HN       ASP   1  37.251  19.959  23.500
    2    HA   ASP   1           HA       ASP   1  35.082  21.511  24.519
    3    HB2  ASP   1           HB2      ASP   1  37.992  22.303  24.794
    4    HB3  ASP   1           HB1      ASP   1  36.743  23.020  25.572
    5    H    ASP   2           HN       ASP   2  37.053  22.320  21.533
    6    HA   ASP   2           HA       ASP   2  35.950  25.060  21.306
    7    HB2  ASP   2           HB2      ASP   2  38.243  24.632  20.851
    8    HB3  ASP   2           HB1      ASP   2  37.859  23.374  19.745
    9    HA   PRO   3           HA       PRO   3  32.611  23.045  18.842
   10    HB2  PRO   3           HB2      PRO   3  32.040  25.919  18.256
   11    HB3  PRO   3           HB1      PRO   3  30.989  24.587  18.513
   12    HG2  PRO   3           HG2      PRO   3  31.694  26.424  20.389
   13    HG3  PRO   3           HG1      PRO   3  31.464  24.681  20.913
   14    HD2  PRO   3           HD2      PRO   3  33.943  26.288  20.424
   15    HD3  PRO   3           HD1      PRO   3  33.566  25.018  21.660
   16    H    THR   4           HN       THR   4  35.395  24.662  17.831
   17    HA   THR   4           HA       THR   4  34.512  25.218  15.017
   18    HB   THR   4           HB       THR   4  37.231  25.609  16.125
   19    HG1  THR   4           HG1      THR   4  35.858  26.699  17.303
   20   HG21  THR   4          1HG2      THR   4  37.485  27.138  14.302
   21   HG22  THR   4          2HG2      THR   4  35.753  26.704  13.740
   22   HG23  THR   4          3HG2      THR   4  37.099  25.533  13.716
   23    HA   DPR   5           HA       DPR   5  36.699  21.773  13.063
   24    HB2  DPR   5           HB2      DPR   5  35.284  22.113  11.179
   25    HB3  DPR   5           HB1      DPR   5  34.801  20.608  11.831
   26    HG2  DPR   5           HG2      DPR   5  33.067  22.816  11.573
   27    HG3  DPR   5           HG1      DPR   5  32.956  21.685  13.059
   28    HD2  DPR   5           HD2      DPR   5  34.334  24.351  12.569
   29    HD3  DPR   5           HD1      DPR   5  33.411  23.960  13.983
   30    H    DAR   6           HN       DAR   6  34.157  21.584  15.487
   31    HA   DAR   6           HA       DAR   6  33.983  18.870  16.011
   32    HB2  DAR   6           HB2      DAR   6  33.773  21.157  17.997
   33    HB3  DAR   6           HB1      DAR   6  32.487  20.538  16.833
   34    HG2  DAR   6           HG2      DAR   6  32.686  18.397  17.747
   35    HG3  DAR   6           HG1      DAR   6  33.833  18.945  18.964
   36    HD2  DAR   6           HD2      DAR   6  31.154  20.405  18.741
   37    HD3  DAR   6           HD1      DAR   6  31.192  18.998  19.694
   38    HE   DAR   6           HE       DAR   6  33.259  20.291  20.839
   39   HH11  DAR   6          1HH1      DAR   6  33.156  21.392  22.373
   40   HH12  DAR   6          2HH1      DAR   6  31.832  22.341  22.993
   41   HH21  DAR   6          1HH2      DAR   6  29.876  21.397  20.075
   42   HH22  DAR   6          2HH2      DAR   6  29.857  22.318  21.568
   43    H    GLN   7           HN       GLN   7  36.080  21.408  17.600
   44    HA   GLN   7           HA       GLN   7  38.128  19.224  17.883
   45    HB2  GLN   7           HB2      GLN   7  38.389  22.168  17.929
   46    HB3  GLN   7           HB1      GLN   7  39.608  21.192  18.327
   47    HG2  GLN   7           HG2      GLN   7  39.721  19.986  16.045
   48    HG3  GLN   7           HG1      GLN   7  38.420  20.926  15.542
   49   HE21  GLN   7          1HE2      GLN   7  38.605  23.289  15.274
   50   HE22  GLN   7          2HE2      GLN   7  40.093  24.041  15.252
   51    H    DGN   8           HN       DGN   8  36.480  18.508  19.481
   52    HA   DGN   8           HA       DGN   8  37.546  18.686  22.049
   53    HB2  DGN   8           HB2      DGN   8  35.011  17.509  20.886
   54    HB3  DGN   8           HB1      DGN   8  36.552  16.727  21.067
   55    HG2  DGN   8           HG2      DGN   8  35.302  15.828  22.952
   56    HG3  DGN   8           HG1      DGN   8  36.128  17.148  23.656
   57   HE21  DGN   8          1HE2      DGN   8  34.783  18.140  25.118
   58   HE22  DGN   8          2HE2      DGN   8  33.050  18.241  24.956
  Start of MODEL    3
    1    H1   ASP   1           HN       ASP   1  37.038  20.779  22.370
    2    HA   ASP   1           HA       ASP   1  35.016  21.597  24.395
    3    HB2  ASP   1           HB2      ASP   1  37.846  22.565  24.776
    4    HB3  ASP   1           HB1      ASP   1  36.431  22.886  25.689
    5    H    ASP   2           HN       ASP   2  37.455  22.536  21.800
    6    HA   ASP   2           HA       ASP   2  36.015  25.055  21.416
    7    HB2  ASP   2           HB2      ASP   2  38.458  24.776  21.191
    8    HB3  ASP   2           HB1      ASP   2  38.326  23.657  19.856
    9    HA   PRO   3           HA       PRO   3  33.171  22.517  18.898
   10    HB2  PRO   3           HB2      PRO   3  31.373  24.410  18.199
   11    HB3  PRO   3           HB1      PRO   3  31.578  23.961  19.911
   12    HG2  PRO   3           HG2      PRO   3  32.837  26.303  18.350
   13    HG3  PRO   3           HG1      PRO   3  31.959  26.410  19.823
   14    HD2  PRO   3           HD2      PRO   3  34.693  26.100  19.915
   15    HD3  PRO   3           HD1      PRO   3  33.551  25.422  21.159
   16    H    THR   4           HN       THR   4  35.331  25.168  17.767
   17    HA   THR   4           HA       THR   4  34.339  25.294  15.211
   18    HB   THR   4           HB       THR   4  37.242  25.750  15.543
   19    HG1  THR   4           HG1      THR   4  36.334  26.593  17.214
   20   HG21  THR   4          1HG2      THR   4  35.902  26.216  13.342
   21   HG22  THR   4          2HG2      THR   4  37.028  27.422  14.147
   22   HG23  THR   4          3HG2      THR   4  35.207  27.558  14.279
   23    HA   DPR   5           HA       DPR   5  36.653  21.984  13.055
   24    HB2  DPR   5           HB2      DPR   5  35.286  21.950  11.186
   25    HB3  DPR   5           HB1      DPR   5  34.353  20.699  11.975
   26    HG2  DPR   5           HG2      DPR   5  33.179  22.879  11.449
   27    HG3  DPR   5           HG1      DPR   5  32.738  21.998  12.916
   28    HD2  DPR   5           HD2      DPR   5  34.750  24.371  12.536
   29    HD3  DPR   5           HD1      DPR   5  33.301  24.082  13.700
   30    H    DAR   6           HN       DAR   6  34.406  21.618  15.657
   31    HA   DAR   6           HA       DAR   6  33.934  18.816  15.650
   32    HB2  DAR   6           HB2      DAR   6  33.666  20.759  17.952
   33    HB3  DAR   6           HB1      DAR   6  32.448  20.333  16.642
   34    HG2  DAR   6           HG2      DAR   6  32.126  18.151  17.313
   35    HG3  DAR   6           HG1      DAR   6  33.484  18.128  18.321
   36    HD2  DAR   6           HD2      DAR   6  30.815  19.598  18.566
   37    HD3  DAR   6           HD1      DAR   6  31.265  18.160  19.435
   38    HE   DAR   6           HE       DAR   6  33.214  19.623  20.375
   39   HH11  DAR   6          1HH1      DAR   6  32.958  21.131  22.152
   40   HH12  DAR   6          2HH1      DAR   6  31.617  22.237  22.315
   41   HH21  DAR   6          1HH2      DAR   6  29.981  21.091  19.416
   42   HH22  DAR   6          2HH2      DAR   6  29.867  21.918  20.894
   43    H    GLN   7           HN       GLN   7  36.166  20.891  17.371
   44    HA   GLN   7           HA       GLN   7  37.977  18.615  17.514
   45    HB2  GLN   7           HB2      GLN   7  38.144  21.547  18.138
   46    HB3  GLN   7           HB1      GLN   7  39.534  20.392  18.193
   47    HG2  GLN   7           HG2      GLN   7  39.600  20.185  15.738
   48    HG3  GLN   7           HG1      GLN   7  38.222  21.261  15.602
   49   HE21  GLN   7          1HE2      GLN   7  38.523  23.529  15.807
   50   HE22  GLN   7          2HE2      GLN   7  40.101  24.214  16.113
   51    H    DGN   8           HN       DGN   8  35.836  19.882  19.770
   52    HA   DGN   8           HA       DGN   8  37.423  18.842  21.984
   53    HB2  DGN   8           HB2      DGN   8  35.260  17.520  22.652
   54    HB3  DGN   8           HB1      DGN   8  34.913  17.553  20.889
   55    HG2  DGN   8           HG2      DGN   8  36.736  16.223  20.347
   56    HG3  DGN   8           HG1      DGN   8  37.567  16.565  21.961
   57   HE21  DGN   8          1HE2      DGN   8  37.464  13.986  21.136
   58   HE22  DGN   8          2HE2      DGN   8  36.153  13.173  22.069
  Start of MODEL    4
    1    H1   ASP   1           HN       ASP   1  37.370  20.544  22.236
    2    HA   ASP   1           HA       ASP   1  35.349  21.286  24.149
    3    HB2  ASP   1           HB2      ASP   1  38.087  22.317  24.647
    4    HB3  ASP   1           HB1      ASP   1  36.750  22.533  25.658
    5    H    ASP   2           HN       ASP   2  36.535  22.133  21.315
    6    HA   ASP   2           HA       ASP   2  35.606  24.927  21.450
    7    HB2  ASP   2           HB2      ASP   2  38.085  24.444  20.970
    8    HB3  ASP   2           HB1      ASP   2  37.482  23.907  19.388
    9    HA   PRO   3           HA       PRO   3  32.388  23.329  18.745
   10    HB2  PRO   3           HB2      PRO   3  31.577  25.730  17.696
   11    HB3  PRO   3           HB1      PRO   3  31.073  24.902  19.262
   12    HG2  PRO   3           HG2      PRO   3  33.049  27.142  18.799
   13    HG3  PRO   3           HG1      PRO   3  31.847  26.977  20.074
   14    HD2  PRO   3           HD2      PRO   3  34.531  26.322  20.382
   15    HD3  PRO   3           HD1      PRO   3  33.257  25.467  21.313
   16    H    THR   4           HN       THR   4  35.092  25.273  17.706
   17    HA   THR   4           HA       THR   4  34.758  25.349  15.020
   18    HB   THR   4           HB       THR   4  37.521  25.125  16.302
   19    HG1  THR   4           HG1      THR   4  36.490  26.883  17.209
   20   HG21  THR   4          1HG2      THR   4  37.726  24.853  13.977
   21   HG22  THR   4          2HG2      THR   4  38.086  26.557  14.249
   22   HG23  THR   4          3HG2      THR   4  36.446  26.043  13.700
   23    HA   DPR   5           HA       DPR   5  36.835  21.629  13.492
   24    HB2  DPR   5           HB2      DPR   5  36.058  22.079  11.451
   25    HB3  DPR   5           HB1      DPR   5  34.996  20.712  11.729
   26    HG2  DPR   5           HG2      DPR   5  33.753  23.002  11.269
   27    HG3  DPR   5           HG1      DPR   5  33.262  21.951  12.676
   28    HD2  DPR   5           HD2      DPR   5  34.687  24.614  12.812
   29    HD3  DPR   5           HD1      DPR   5  33.473  23.904  13.844
   30    H    DAR   6           HN       DAR   6  34.139  21.659  15.673
   31    HA   DAR   6           HA       DAR   6  33.899  18.830  15.877
   32    HB2  DAR   6           HB2      DAR   6  33.508  20.949  18.035
   33    HB3  DAR   6           HB1      DAR   6  32.322  20.461  16.934
   34    HG2  DAR   6           HG2      DAR   6  32.121  18.266  17.883
   35    HG3  DAR   6           HG1      DAR   6  33.546  18.626  18.923
   36    HD2  DAR   6           HD2      DAR   6  30.888  20.097  18.914
   37    HD3  DAR   6           HD1      DAR   6  31.213  18.849  20.133
   38    HE   DAR   6           HE       DAR   6  33.260  20.081  20.739
   39   HH11  DAR   6          1HH1      DAR   6  33.722  21.612  22.115
   40   HH12  DAR   6          2HH1      DAR   6  32.404  22.785  22.636
   41   HH21  DAR   6          1HH2      DAR   6  30.244  21.862  20.216
   42   HH22  DAR   6          2HH2      DAR   6  30.826  23.104  21.394
   43    H    GLN   7           HN       GLN   7  36.203  21.026  17.330
   44    HA   GLN   7           HA       GLN   7  37.945  18.663  17.816
   45    HB2  GLN   7           HB2      GLN   7  38.478  21.707  17.426
   46    HB3  GLN   7           HB1      GLN   7  39.628  20.396  18.098
   47    HG2  GLN   7           HG2      GLN   7  39.582  19.124  16.255
   48    HG3  GLN   7           HG1      GLN   7  38.212  19.823  15.554
   49   HE21  GLN   7          1HE2      GLN   7  39.443  20.088  13.533
   50   HE22  GLN   7          2HE2      GLN   7  40.580  21.413  13.404
   51    H    DGN   8           HN       DGN   8  36.609  17.954  19.552
   52    HA   DGN   8           HA       DGN   8  37.707  18.485  22.000
   53    HB2  DGN   8           HB2      DGN   8  34.995  17.346  21.124
   54    HB3  DGN   8           HB1      DGN   8  36.369  16.369  21.277
   55    HG2  DGN   8           HG2      DGN   8  36.369  17.097  23.826
   56    HG3  DGN   8           HG1      DGN   8  34.690  17.436  23.541
   57   HE21  DGN   8          1HE2      DGN   8  36.458  15.191  24.777
   58   HE22  DGN   8          2HE2      DGN   8  35.488  13.754  24.553
  Start of MODEL    5
    1    H1   ASP   1           HN       ASP   1  37.540  20.116  22.860
    2    HA   ASP   1           HA       ASP   1  35.102  21.199  24.098
    3    HB2  ASP   1           HB2      ASP   1  37.783  21.818  25.213
    4    HB3  ASP   1           HB1      ASP   1  36.143  21.986  25.961
    5    H    ASP   2           HN       ASP   2  36.879  22.070  21.535
    6    HA   ASP   2           HA       ASP   2  35.871  24.802  21.739
    7    HB2  ASP   2           HB2      ASP   2  38.184  24.538  21.266
    8    HB3  ASP   2           HB1      ASP   2  37.806  23.645  19.827
    9    HA   PRO   3           HA       PRO   3  32.555  23.519  18.715
   10    HB2  PRO   3           HB2      PRO   3  32.805  26.345  17.779
   11    HB3  PRO   3           HB1      PRO   3  31.475  25.160  18.196
   12    HG2  PRO   3           HG2      PRO   3  32.208  27.122  20.046
   13    HG3  PRO   3           HG1      PRO   3  31.796  25.400  20.475
   14    HD2  PRO   3           HD2      PRO   3  34.537  26.573  20.156
   15    HD3  PRO   3           HD1      PRO   3  33.810  25.618  21.417
   16    H    THR   4           HN       THR   4  35.454  25.021  17.568
   17    HA   THR   4           HA       THR   4  34.654  25.174  14.870
   18    HB   THR   4           HB       THR   4  37.317  25.477  16.395
   19    HG1  THR   4           HG1      THR   4  35.998  26.983  16.633
   20   HG21  THR   4          1HG2      THR   4  37.014  26.231  13.499
   21   HG22  THR   4          2HG2      THR   4  37.952  24.799  14.051
   22   HG23  THR   4          3HG2      THR   4  38.445  26.451  14.548
   23    HA   DPR   5           HA       DPR   5  36.519  21.587  13.026
   24    HB2  DPR   5           HB2      DPR   5  35.280  21.583  11.289
   25    HB3  DPR   5           HB1      DPR   5  34.275  20.268  11.964
   26    HG2  DPR   5           HG2      DPR   5  33.063  22.513  11.411
   27    HG3  DPR   5           HG1      DPR   5  32.849  21.602  12.979
   28    HD2  DPR   5           HD2      DPR   5  34.422  24.145  12.457
   29    HD3  DPR   5           HD1      DPR   5  33.247  23.815  13.761
   30    H    DAR   6           HN       DAR   6  34.162  21.595  15.656
   31    HA   DAR   6           HA       DAR   6  34.094  18.749  15.871
   32    HB2  DAR   6           HB2      DAR   6  33.510  20.812  18.017
   33    HB3  DAR   6           HB1      DAR   6  32.271  20.220  16.913
   34    HG2  DAR   6           HG2      DAR   6  32.326  18.087  17.921
   35    HG3  DAR   6           HG1      DAR   6  33.681  18.571  18.986
   36    HD2  DAR   6           HD2      DAR   6  31.016  19.928  19.065
   37    HD3  DAR   6           HD1      DAR   6  31.421  18.578  20.121
   38    HE   DAR   6           HE       DAR   6  33.364  20.149  20.856
   39   HH11  DAR   6          1HH1      DAR   6  33.708  22.000  21.616
   40   HH12  DAR   6          2HH1      DAR   6  32.393  23.082  22.201
   41   HH21  DAR   6          1HH2      DAR   6  30.069  21.315  20.263
   42   HH22  DAR   6          2HH2      DAR   6  30.314  22.771  21.113
   43    H    GLN   7           HN       GLN   7  36.359  21.159  16.983
   44    HA   GLN   7           HA       GLN   7  38.181  19.314  17.911
   45    HB2  GLN   7           HB2      GLN   7  38.126  22.352  17.870
   46    HB3  GLN   7           HB1      GLN   7  39.369  21.449  18.745
   47    HG2  GLN   7           HG2      GLN   7  40.067  20.269  16.765
   48    HG3  GLN   7           HG1      GLN   7  38.758  20.815  15.803
   49   HE21  GLN   7          1HE2      GLN   7  38.578  23.296  15.537
   50   HE22  GLN   7          2HE2      GLN   7  39.995  24.246  15.562
   51    H    DGN   8           HN       DGN   8  36.331  18.484  19.272
   52    HA   DGN   8           HA       DGN   8  37.597  18.518  21.913
   53    HB2  DGN   8           HB2      DGN   8  35.041  17.084  21.083
   54    HB3  DGN   8           HB1      DGN   8  36.616  16.465  20.966
   55    HG2  DGN   8           HG2      DGN   8  36.829  16.874  23.433
   56    HG3  DGN   8           HG1      DGN   8  35.140  17.273  23.563
   57   HE21  DGN   8          1HE2      DGN   8  36.361  15.138  24.956
   58   HE22  DGN   8          2HE2      DGN   8  35.725  13.584  24.291
  Start of MODEL    6
    1    H1   ASP   1           HN       ASP   1  37.489  20.545  22.858
    2    HA   ASP   1           HA       ASP   1  35.065  21.513  24.351
    3    HB2  ASP   1           HB2      ASP   1  37.910  22.494  24.486
    4    HB3  ASP   1           HB1      ASP   1  36.681  22.884  25.668
    5    H    ASP   2           HN       ASP   2  37.006  22.171  21.553
    6    HA   ASP   2           HA       ASP   2  35.880  24.913  21.326
    7    HB2  ASP   2           HB2      ASP   2  38.327  24.318  21.144
    8    HB3  ASP   2           HB1      ASP   2  37.944  23.253  19.843
    9    HA   PRO   3           HA       PRO   3  32.768  22.921  18.829
   10    HB2  PRO   3           HB2      PRO   3  31.319  25.092  17.946
   11    HB3  PRO   3           HB1      PRO   3  31.226  24.490  19.602
   12    HG2  PRO   3           HG2      PRO   3  32.994  26.742  18.684
   13    HG3  PRO   3           HG1      PRO   3  31.899  26.611  20.146
   14    HD2  PRO   3           HD2      PRO   3  34.583  26.276  20.097
   15    HD3  PRO   3           HD1      PRO   3  33.458  25.474  21.301
   16    H    THR   4           HN       THR   4  35.136  25.324  17.669
   17    HA   THR   4           HA       THR   4  34.727  25.522  14.943
   18    HB   THR   4           HB       THR   4  37.439  25.207  16.157
   19    HG1  THR   4           HG1      THR   4  36.679  26.874  17.273
   20   HG21  THR   4          1HG2      THR   4  38.067  26.682  14.382
   21   HG22  THR   4          2HG2      THR   4  36.414  26.716  13.795
   22   HG23  THR   4          3HG2      THR   4  37.348  25.216  13.626
   23    HA   DPR   5           HA       DPR   5  36.724  21.744  13.370
   24    HB2  DPR   5           HB2      DPR   5  35.566  21.945  11.445
   25    HB3  DPR   5           HB1      DPR   5  34.672  20.498  12.146
   26    HG2  DPR   5           HG2      DPR   5  33.203  22.695  11.472
   27    HG3  DPR   5           HG1      DPR   5  33.087  21.832  13.142
   28    HD2  DPR   5           HD2      DPR   5  34.781  24.232  12.362
   29    HD3  DPR   5           HD1      DPR   5  33.528  24.172  13.658
   30    H    DAR   6           HN       DAR   6  34.132  21.629  15.711
   31    HA   DAR   6           HA       DAR   6  34.056  18.717  16.009
   32    HB2  DAR   6           HB2      DAR   6  33.619  21.029  17.813
   33    HB3  DAR   6           HB1      DAR   6  32.324  20.451  16.798
   34    HG2  DAR   6           HG2      DAR   6  32.341  18.314  18.005
   35    HG3  DAR   6           HG1      DAR   6  33.784  18.889  18.929
   36    HD2  DAR   6           HD2      DAR   6  31.135  20.225  18.892
   37    HD3  DAR   6           HD1      DAR   6  31.493  19.020  20.138
   38    HE   DAR   6           HE       DAR   6  33.539  20.852  20.352
   39   HH11  DAR   6          1HH1      DAR   6  33.563  22.401  22.084
   40   HH12  DAR   6          2HH1      DAR   6  32.011  22.865  22.740
   41   HH21  DAR   6          1HH2      DAR   6  29.910  20.936  20.828
   42   HH22  DAR   6          2HH2      DAR   6  30.053  22.029  22.099
   43    H    GLN   7           HN       GLN   7  36.134  21.363  17.321
   44    HA   GLN   7           HA       GLN   7  38.075  19.244  17.881
   45    HB2  GLN   7           HB2      GLN   7  38.429  22.164  17.761
   46    HB3  GLN   7           HB1      GLN   7  39.651  21.098  18.370
   47    HG2  GLN   7           HG2      GLN   7  39.744  19.963  15.996
   48    HG3  GLN   7           HG1      GLN   7  38.283  20.786  15.663
   49   HE21  GLN   7          1HE2      GLN   7  38.462  23.215  15.450
   50   HE22  GLN   7          2HE2      GLN   7  40.016  23.947  15.413
   51    H    DGN   8           HN       DGN   8  36.193  18.620  19.549
   52    HA   DGN   8           HA       DGN   8  37.544  18.728  22.055
   53    HB2  DGN   8           HB2      DGN   8  34.852  17.592  21.119
   54    HB3  DGN   8           HB1      DGN   8  36.329  16.724  21.064
   55    HG2  DGN   8           HG2      DGN   8  36.553  16.707  23.444
   56    HG3  DGN   8           HG1      DGN   8  35.057  17.873  23.571
   57   HE21  DGN   8          1HE2      DGN   8  34.206  16.366  25.070
   58   HE22  DGN   8          2HE2      DGN   8  33.290  15.007  24.386
  Start of MODEL    7
    1    H1   ASP   1           HN       ASP   1  36.586  19.558  23.643
    2    HA   ASP   1           HA       ASP   1  34.927  21.395  24.327
    3    HB2  ASP   1           HB2      ASP   1  37.814  22.264  24.499
    4    HB3  ASP   1           HB1      ASP   1  36.571  22.812  25.575
    5    H    ASP   2           HN       ASP   2  37.213  22.352  21.659
    6    HA   ASP   2           HA       ASP   2  36.117  24.916  21.462
    7    HB2  ASP   2           HB2      ASP   2  38.472  24.294  21.145
    8    HB3  ASP   2           HB1      ASP   2  38.024  23.342  19.701
    9    HA   PRO   3           HA       PRO   3  33.040  22.947  19.004
   10    HB2  PRO   3           HB2      PRO   3  31.821  25.261  17.738
   11    HB3  PRO   3           HB1      PRO   3  31.322  24.230  19.136
   12    HG2  PRO   3           HG2      PRO   3  32.576  26.987  19.074
   13    HG3  PRO   3           HG1      PRO   3  31.674  26.166  20.379
   14    HD2  PRO   3           HD2      PRO   3  34.534  26.312  20.441
   15    HD3  PRO   3           HD1      PRO   3  33.389  25.330  21.316
   16    H    THR   4           HN       THR   4  35.379  25.116  17.618
   17    HA   THR   4           HA       THR   4  34.564  25.398  15.097
   18    HB   THR   4           HB       THR   4  37.439  25.415  15.768
   19    HG1  THR   4           HG1      THR   4  36.376  26.571  17.399
   20   HG21  THR   4          1HG2      THR   4  37.289  27.510  14.224
   21   HG22  THR   4          2HG2      THR   4  35.697  27.124  13.868
   22   HG23  THR   4          3HG2      THR   4  36.946  25.967  13.443
   23    HA   DPR   5           HA       DPR   5  36.476  21.675  13.074
   24    HB2  DPR   5           HB2      DPR   5  35.196  22.205  11.246
   25    HB3  DPR   5           HB1      DPR   5  34.291  20.769  11.785
   26    HG2  DPR   5           HG2      DPR   5  32.956  22.964  11.356
   27    HG3  DPR   5           HG1      DPR   5  32.593  22.152  12.857
   28    HD2  DPR   5           HD2      DPR   5  34.624  24.464  12.528
   29    HD3  DPR   5           HD1      DPR   5  33.343  24.270  13.697
   30    H    DAR   6           HN       DAR   6  34.395  21.622  15.693
   31    HA   DAR   6           HA       DAR   6  33.905  18.793  16.009
   32    HB2  DAR   6           HB2      DAR   6  33.711  20.922  18.093
   33    HB3  DAR   6           HB1      DAR   6  32.428  20.407  16.868
   34    HG2  DAR   6           HG2      DAR   6  32.509  18.215  17.628
   35    HG3  DAR   6           HG1      DAR   6  33.725  18.623  18.941
   36    HD2  DAR   6           HD2      DAR   6  30.869  19.622  18.739
   37    HD3  DAR   6           HD1      DAR   6  31.551  18.570  19.892
   38    HE   DAR   6           HE       DAR   6  33.069  20.307  20.697
   39   HH11  DAR   6          1HH1      DAR   6  32.925  22.145  22.014
   40   HH12  DAR   6          2HH1      DAR   6  31.517  23.151  21.762
   41   HH21  DAR   6          1HH2      DAR   6  29.895  21.222  19.428
   42   HH22  DAR   6          2HH2      DAR   6  29.734  22.576  20.500
   43    H    GLN   7           HN       GLN   7  36.176  21.099  17.448
   44    HA   GLN   7           HA       GLN   7  38.200  18.960  17.871
   45    HB2  GLN   7           HB2      GLN   7  38.400  21.932  18.183
   46    HB3  GLN   7           HB1      GLN   7  39.770  20.845  18.391
   47    HG2  GLN   7           HG2      GLN   7  39.887  20.199  16.247
   48    HG3  GLN   7           HG1      GLN   7  38.442  20.903  15.662
   49   HE21  GLN   7          1HE2      GLN   7  38.640  23.067  14.781
   50   HE22  GLN   7          2HE2      GLN   7  40.238  23.892  14.917
   51    H    DGN   8           HN       DGN   8  36.413  18.271  19.478
   52    HA   DGN   8           HA       DGN   8  37.588  18.685  22.015
   53    HB2  DGN   8           HB2      DGN   8  34.682  17.507  21.685
   54    HB3  DGN   8           HB1      DGN   8  36.255  16.675  21.110
   55    HG2  DGN   8           HG2      DGN   8  37.066  16.718  23.327
   56    HG3  DGN   8           HG1      DGN   8  35.579  17.396  23.929
   57   HE21  DGN   8          1HE2      DGN   8  35.793  15.327  25.380
   58   HE22  DGN   8          2HE2      DGN   8  35.493  13.795  24.621
  Start of MODEL    8
    1    H1   ASP   1           HN       ASP   1  37.418  20.547  22.573
    2    HA   ASP   1           HA       ASP   1  34.900  21.366  23.898
    3    HB2  ASP   1           HB2      ASP   1  36.092  22.500  25.709
    4    HB3  ASP   1           HB1      ASP   1  36.113  20.833  25.750
    5    H    ASP   2           HN       ASP   2  36.985  22.146  21.433
    6    HA   ASP   2           HA       ASP   2  35.989  24.938  21.338
    7    HB2  ASP   2           HB2      ASP   2  38.386  24.724  20.997
    8    HB3  ASP   2           HB1      ASP   2  38.160  23.481  19.783
    9    HA   PRO   3           HA       PRO   3  33.019  22.787  18.590
   10    HB2  PRO   3           HB2      PRO   3  31.344  24.620  18.044
   11    HB3  PRO   3           HB1      PRO   3  31.350  24.006  19.736
   12    HG2  PRO   3           HG2      PRO   3  32.707  26.520  18.499
   13    HG3  PRO   3           HG1      PRO   3  31.875  26.485  19.977
   14    HD2  PRO   3           HD2      PRO   3  34.497  26.199  20.208
   15    HD3  PRO   3           HD1      PRO   3  33.410  25.254  21.257
   16    H    THR   4           HN       THR   4  35.290  25.298  17.532
   17    HA   THR   4           HA       THR   4  34.571  25.491  14.968
   18    HB   THR   4           HB       THR   4  37.439  25.502  15.895
   19    HG1  THR   4           HG1      THR   4  36.268  26.781  17.217
   20   HG21  THR   4          1HG2      THR   4  37.332  27.505  14.277
   21   HG22  THR   4          2HG2      THR   4  35.905  26.621  13.532
   22   HG23  THR   4          3HG2      THR   4  37.513  25.902  13.515
   23    HA   DPR   5           HA       DPR   5  36.627  21.865  13.332
   24    HB2  DPR   5           HB2      DPR   5  35.389  22.081  11.372
   25    HB3  DPR   5           HB1      DPR   5  34.621  20.548  11.920
   26    HG2  DPR   5           HG2      DPR   5  33.002  22.628  11.602
   27    HG3  DPR   5           HG1      DPR   5  32.980  21.667  13.225
   28    HD2  DPR   5           HD2      DPR   5  34.354  24.242  12.579
   29    HD3  DPR   5           HD1      DPR   5  33.260  23.799  14.040
   30    H    DAR   6           HN       DAR   6  34.070  21.653  15.526
   31    HA   DAR   6           HA       DAR   6  33.827  18.904  15.943
   32    HB2  DAR   6           HB2      DAR   6  33.906  20.893  18.096
   33    HB3  DAR   6           HB1      DAR   6  32.426  20.761  17.004
   34    HG2  DAR   6           HG2      DAR   6  31.920  18.630  17.826
   35    HG3  DAR   6           HG1      DAR   6  33.326  18.791  19.001
   36    HD2  DAR   6           HD2      DAR   6  30.978  20.609  18.831
   37    HD3  DAR   6           HD1      DAR   6  30.940  19.174  19.793
   38    HE   DAR   6           HE       DAR   6  33.307  20.161  20.683
   39   HH11  DAR   6          1HH1      DAR   6  33.001  20.665  22.926
   40   HH12  DAR   6          2HH1      DAR   6  32.092  22.155  23.232
   41   HH21  DAR   6          1HH2      DAR   6  30.104  21.746  20.386
   42   HH22  DAR   6          2HH2      DAR   6  30.147  22.497  21.930
   43    H    GLN   7           HN       GLN   7  36.078  21.105  17.490
   44    HA   GLN   7           HA       GLN   7  37.995  18.836  17.914
   45    HB2  GLN   7           HB2      GLN   7  38.506  21.837  17.903
   46    HB3  GLN   7           HB1      GLN   7  39.686  20.625  18.206
   47    HG2  GLN   7           HG2      GLN   7  39.494  19.699  15.965
   48    HG3  GLN   7           HG1      GLN   7  38.050  20.640  15.619
   49   HE21  GLN   7          1HE2      GLN   7  38.530  23.098  16.147
   50   HE22  GLN   7          2HE2      GLN   7  40.006  23.812  15.392
   51    H    DGN   8           HN       DGN   8  36.549  18.164  19.580
   52    HA   DGN   8           HA       DGN   8  37.700  18.678  22.036
   53    HB2  DGN   8           HB2      DGN   8  36.062  17.120  22.943
   54    HB3  DGN   8           HB1      DGN   8  35.142  17.115  21.418
   55    HG2  DGN   8           HG2      DGN   8  36.951  15.836  20.290
   56    HG3  DGN   8           HG1      DGN   8  38.071  16.280  21.518
   57   HE21  DGN   8          1HE2      DGN   8  38.093  13.723  20.978
   58   HE22  DGN   8          2HE2      DGN   8  37.186  12.767  22.135
  Start of MODEL    9
    1    H1   ASP   1           HN       ASP   1  36.963  20.640  22.139
    2    HA   ASP   1           HA       ASP   1  35.116  21.289  24.142
    3    HB2  ASP   1           HB2      ASP   1  36.506  22.961  25.529
    4    HB3  ASP   1           HB1      ASP   1  36.739  21.190  25.798
    5    H    ASP   2           HN       ASP   2  37.428  22.513  21.697
    6    HA   ASP   2           HA       ASP   2  36.099  24.953  21.215
    7    HB2  ASP   2           HB2      ASP   2  38.512  24.344  20.651
    8    HB3  ASP   2           HB1      ASP   2  37.874  23.067  19.572
    9    HA   PRO   3           HA       PRO   3  32.737  23.013  18.914
   10    HB2  PRO   3           HB2      PRO   3  31.546  25.318  18.044
   11    HB3  PRO   3           HB1      PRO   3  31.121  24.624  19.602
   12    HG2  PRO   3           HG2      PRO   3  32.889  26.916  18.931
   13    HG3  PRO   3           HG1      PRO   3  32.145  26.499  20.619
   14    HD2  PRO   3           HD2      PRO   3  34.649  26.452  19.888
   15    HD3  PRO   3           HD1      PRO   3  34.013  25.673  21.308
   16    H    THR   4           HN       THR   4  35.182  25.233  17.632
   17    HA   THR   4           HA       THR   4  34.453  25.230  14.935
   18    HB   THR   4           HB       THR   4  37.293  25.627  15.751
   19    HG1  THR   4           HG1      THR   4  36.375  26.604  17.209
   20   HG21  THR   4          1HG2      THR   4  35.703  26.949  13.639
   21   HG22  THR   4          2HG2      THR   4  36.977  25.680  13.486
   22   HG23  THR   4          3HG2      THR   4  37.444  27.156  14.093
   23    HA   DPR   5           HA       DPR   5  36.964  21.702  13.748
   24    HB2  DPR   5           HB2      DPR   5  36.154  22.217  11.479
   25    HB3  DPR   5           HB1      DPR   5  35.420  20.554  11.834
   26    HG2  DPR   5           HG2      DPR   5  33.860  22.592  11.116
   27    HG3  DPR   5           HG1      DPR   5  33.437  21.742  12.658
   28    HD2  DPR   5           HD2      DPR   5  35.001  24.378  12.433
   29    HD3  DPR   5           HD1      DPR   5  33.558  23.958  13.402
   30    H    DAR   6           HN       DAR   6  34.058  21.546  15.572
   31    HA   DAR   6           HA       DAR   6  33.852  18.715  15.877
   32    HB2  DAR   6           HB2      DAR   6  33.601  21.091  17.794
   33    HB3  DAR   6           HB1      DAR   6  32.284  20.470  16.654
   34    HG2  DAR   6           HG2      DAR   6  32.330  18.379  17.851
   35    HG3  DAR   6           HG1      DAR   6  33.608  18.953  18.899
   36    HD2  DAR   6           HD2      DAR   6  30.936  20.460  18.966
   37    HD3  DAR   6           HD1      DAR   6  31.306  18.956  19.842
   38    HE   DAR   6           HE       DAR   6  33.413  20.624  20.353
   39   HH11  DAR   6          1HH1      DAR   6  33.480  22.037  22.013
   40   HH12  DAR   6          2HH1      DAR   6  32.230  23.027  22.614
   41   HH21  DAR   6          1HH2      DAR   6  29.861  20.907  20.827
   42   HH22  DAR   6          2HH2      DAR   6  30.076  22.225  21.969
   43    H    GLN   7           HN       GLN   7  36.141  21.138  17.278
   44    HA   GLN   7           HA       GLN   7  37.883  18.831  17.824
   45    HB2  GLN   7           HB2      GLN   7  38.238  21.825  17.750
   46    HB3  GLN   7           HB1      GLN   7  39.558  20.735  18.267
   47    HG2  GLN   7           HG2      GLN   7  38.282  20.367  15.638
   48    HG3  GLN   7           HG1      GLN   7  39.648  21.422  15.912
   49   HE21  GLN   7          1HE2      GLN   7  39.675  18.759  14.254
   50   HE22  GLN   7          2HE2      GLN   7  40.324  17.531  15.266
   51    H    DGN   8           HN       DGN   8  36.020  18.516  19.448
   52    HA   DGN   8           HA       DGN   8  37.690  18.578  21.892
   53    HB2  DGN   8           HB2      DGN   8  35.939  17.161  22.920
   54    HB3  DGN   8           HB1      DGN   8  34.997  17.208  21.476
   55    HG2  DGN   8           HG2      DGN   8  36.489  16.164  20.141
   56    HG3  DGN   8           HG1      DGN   8  37.865  16.475  21.216
   57   HE21  DGN   8          1HE2      DGN   8  35.999  13.990  20.210
   58   HE22  DGN   8          2HE2      DGN   8  36.093  13.000  21.745
  Start of MODEL   10
    1    H1   ASP   1           HN       ASP   1  37.412  20.454  22.758
    2    HA   ASP   1           HA       ASP   1  35.331  21.460  24.622
    3    HB2  ASP   1           HB2      ASP   1  37.214  22.952  25.461
    4    HB3  ASP   1           HB1      ASP   1  37.510  21.260  25.715
    5    H    ASP   2           HN       ASP   2  36.980  22.318  21.538
    6    HA   ASP   2           HA       ASP   2  35.520  24.920  21.502
    7    HB2  ASP   2           HB2      ASP   2  38.041  25.047  21.290
    8    HB3  ASP   2           HB1      ASP   2  37.878  24.078  19.854
    9    HA   PRO   3           HA       PRO   3  32.910  22.740  18.619
   10    HB2  PRO   3           HB2      PRO   3  31.345  24.723  17.708
   11    HB3  PRO   3           HB1      PRO   3  31.209  23.959  19.245
   12    HG2  PRO   3           HG2      PRO   3  32.701  26.558  18.671
   13    HG3  PRO   3           HG1      PRO   3  31.444  26.371  19.958
   14    HD2  PRO   3           HD2      PRO   3  34.008  26.058  20.601
   15    HD3  PRO   3           HD1      PRO   3  32.803  24.873  21.179
   16    H    THR   4           HN       THR   4  35.110  25.251  17.723
   17    HA   THR   4           HA       THR   4  34.720  25.405  14.992
   18    HB   THR   4           HB       THR   4  37.452  25.253  16.293
   19    HG1  THR   4           HG1      THR   4  36.229  26.697  17.414
   20   HG21  THR   4          1HG2      THR   4  37.955  26.978  14.483
   21   HG22  THR   4          2HG2      THR   4  36.433  26.559  13.753
   22   HG23  THR   4          3HG2      THR   4  37.615  25.333  13.919
   23    HA   DPR   5           HA       DPR   5  36.567  21.892  13.083
   24    HB2  DPR   5           HB2      DPR   5  35.283  22.074  11.325
   25    HB3  DPR   5           HB1      DPR   5  34.232  20.675  11.992
   26    HG2  DPR   5           HG2      DPR   5  33.277  23.058  11.325
   27    HG3  DPR   5           HG1      DPR   5  32.763  22.327  12.903
   28    HD2  DPR   5           HD2      DPR   5  34.853  24.556  12.519
   29    HD3  DPR   5           HD1      DPR   5  33.532  24.369  13.697
   30    H    DAR   6           HN       DAR   6  34.175  21.609  15.590
   31    HA   DAR   6           HA       DAR   6  34.097  18.766  15.923
   32    HB2  DAR   6           HB2      DAR   6  33.725  20.815  18.092
   33    HB3  DAR   6           HB1      DAR   6  32.528  20.557  16.742
   34    HG2  DAR   6           HG2      DAR   6  32.082  18.268  17.595
   35    HG3  DAR   6           HG1      DAR   6  33.417  18.451  18.687
   36    HD2  DAR   6           HD2      DAR   6  30.976  20.090  18.796
   37    HD3  DAR   6           HD1      DAR   6  31.333  18.593  19.751
   38    HE   DAR   6           HE       DAR   6  33.335  20.159  20.527
   39   HH11  DAR   6          1HH1      DAR   6  33.436  21.952  21.836
   40   HH12  DAR   6          2HH1      DAR   6  31.995  22.727  22.451
   41   HH21  DAR   6          1HH2      DAR   6  29.832  20.644  20.738
   42   HH22  DAR   6          2HH2      DAR   6  30.031  22.257  21.323
   43    H    GLN   7           HN       GLN   7  36.248  21.248  17.289
   44    HA   GLN   7           HA       GLN   7  38.317  19.333  18.122
   45    HB2  GLN   7           HB2      GLN   7  38.144  22.399  18.009
   46    HB3  GLN   7           HB1      GLN   7  39.459  21.574  18.674
   47    HG2  GLN   7           HG2      GLN   7  39.958  20.313  16.638
   48    HG3  GLN   7           HG1      GLN   7  38.644  21.017  15.843
   49   HE21  GLN   7          1HE2      GLN   7  41.711  21.511  17.216
   50   HE22  GLN   7          2HE2      GLN   7  42.176  22.997  16.425
   51    H    DGN   8           HN       DGN   8  36.061  18.607  19.502
   52    HA   DGN   8           HA       DGN   8  37.448  18.751  21.812
   53    HB2  DGN   8           HB2      DGN   8  34.593  17.571  21.365
   54    HB3  DGN   8           HB1      DGN   8  36.098  16.897  20.942
   55    HG2  DGN   8           HG2      DGN   8  35.629  17.614  23.843
   56    HG3  DGN   8           HG1      DGN   8  34.877  16.124  23.185
   57   HE21  DGN   8          1HE2      DGN   8  36.321  15.353  25.080
   58   HE22  DGN   8          2HE2      DGN   8  37.973  14.990  24.647
  Start of MODEL   11
    1    H1   ASP   1           HN       ASP   1  37.527  20.420  23.028
    2    HA   ASP   1           HA       ASP   1  35.284  21.588  24.551
    3    HB2  ASP   1           HB2      ASP   1  38.134  22.652  24.304
    4    HB3  ASP   1           HB1      ASP   1  36.984  23.078  25.470
    5    H    ASP   2           HN       ASP   2  37.376  22.498  21.668
    6    HA   ASP   2           HA       ASP   2  35.752  24.890  21.481
    7    HB2  ASP   2           HB2      ASP   2  38.260  24.944  21.008
    8    HB3  ASP   2           HB1      ASP   2  37.961  23.837  19.727
    9    HA   PRO   3           HA       PRO   3  32.729  22.863  18.866
   10    HB2  PRO   3           HB2      PRO   3  31.467  24.933  17.776
   11    HB3  PRO   3           HB1      PRO   3  31.231  24.398  19.485
   12    HG2  PRO   3           HG2      PRO   3  33.021  26.587  18.587
   13    HG3  PRO   3           HG1      PRO   3  31.875  26.762  19.875
   14    HD2  PRO   3           HD2      PRO   3  34.386  26.256  20.388
   15    HD3  PRO   3           HD1      PRO   3  33.177  25.164  21.276
   16    H    THR   4           HN       THR   4  35.152  25.033  17.814
   17    HA   THR   4           HA       THR   4  34.391  25.214  15.098
   18    HB   THR   4           HB       THR   4  37.249  25.383  15.907
   19    HG1  THR   4           HG1      THR   4  36.137  26.764  17.350
   20   HG21  THR   4          1HG2      THR   4  37.418  27.186  14.326
   21   HG22  THR   4          2HG2      THR   4  35.704  26.959  13.861
   22   HG23  THR   4          3HG2      THR   4  36.839  25.643  13.538
   23    HA   DPR   5           HA       DPR   5  36.754  21.840  13.169
   24    HB2  DPR   5           HB2      DPR   5  35.627  22.006  11.304
   25    HB3  DPR   5           HB1      DPR   5  34.680  20.632  11.945
   26    HG2  DPR   5           HG2      DPR   5  33.489  23.069  11.185
   27    HG3  DPR   5           HG1      DPR   5  32.890  21.981  12.480
   28    HD2  DPR   5           HD2      DPR   5  34.367  24.504  12.892
   29    HD3  DPR   5           HD1      DPR   5  33.208  23.564  13.950
   30    H    DAR   6           HN       DAR   6  34.305  21.732  15.605
   31    HA   DAR   6           HA       DAR   6  34.052  18.944  15.809
   32    HB2  DAR   6           HB2      DAR   6  33.880  20.924  18.051
   33    HB3  DAR   6           HB1      DAR   6  32.620  20.751  16.784
   34    HG2  DAR   6           HG2      DAR   6  32.353  18.365  17.422
   35    HG3  DAR   6           HG1      DAR   6  33.493  18.469  18.635
   36    HD2  DAR   6           HD2      DAR   6  31.105  20.365  18.683
   37    HD3  DAR   6           HD1      DAR   6  31.135  18.786  19.476
   38    HE   DAR   6           HE       DAR   6  33.218  19.976  20.671
   39   HH11  DAR   6          1HH1      DAR   6  33.224  21.408  22.257
   40   HH12  DAR   6          2HH1      DAR   6  31.909  22.530  22.678
   41   HH21  DAR   6          1HH2      DAR   6  30.124  21.422  19.855
   42   HH22  DAR   6          2HH2      DAR   6  30.141  22.500  21.290
   43    H    GLN   7           HN       GLN   7  36.074  21.204  17.476
   44    HA   GLN   7           HA       GLN   7  38.121  19.112  18.064
   45    HB2  GLN   7           HB2      GLN   7  38.228  22.137  18.056
   46    HB3  GLN   7           HB1      GLN   7  39.579  21.198  18.680
   47    HG2  GLN   7           HG2      GLN   7  39.860  19.966  16.654
   48    HG3  GLN   7           HG1      GLN   7  38.328  20.689  15.986
   49   HE21  GLN   7          1HE2      GLN   7  40.367  20.915  14.211
   50   HE22  GLN   7          2HE2      GLN   7  40.891  22.530  14.072
   51    H    DGN   8           HN       DGN   8  36.272  18.287  19.545
   52    HA   DGN   8           HA       DGN   8  37.297  18.473  22.137
   53    HB2  DGN   8           HB2      DGN   8  34.660  17.316  21.103
   54    HB3  DGN   8           HB1      DGN   8  36.175  16.620  21.439
   55    HG2  DGN   8           HG2      DGN   8  36.064  16.815  23.676
   56    HG3  DGN   8           HG1      DGN   8  34.701  17.987  23.682
   57   HE21  DGN   8          1HE2      DGN   8  32.626  17.376  22.467
   58   HE22  DGN   8          2HE2      DGN   8  32.155  15.725  22.820
  Start of MODEL   12
    1    H1   ASP   1           HN       ASP   1  37.813  20.463  22.915
    2    HA   ASP   1           HA       ASP   1  35.588  21.299  24.450
    3    HB2  ASP   1           HB2      ASP   1  38.126  22.906  24.066
    4    HB3  ASP   1           HB1      ASP   1  37.206  22.672  25.615
    5    H    ASP   2           HN       ASP   2  36.717  22.017  21.417
    6    HA   ASP   2           HA       ASP   2  35.482  24.610  21.484
    7    HB2  ASP   2           HB2      ASP   2  37.967  24.604  21.157
    8    HB3  ASP   2           HB1      ASP   2  37.683  23.567  19.728
    9    HA   PRO   3           HA       PRO   3  32.631  22.912  18.429
   10    HB2  PRO   3           HB2      PRO   3  31.952  25.713  17.879
   11    HB3  PRO   3           HB1      PRO   3  30.915  24.296  18.053
   12    HG2  PRO   3           HG2      PRO   3  31.335  26.001  20.314
   13    HG3  PRO   3           HG1      PRO   3  31.342  24.250  20.451
   14    HD2  PRO   3           HD2      PRO   3  33.779  26.064  20.188
   15    HD3  PRO   3           HD1      PRO   3  33.504  24.747  21.346
   16    H    THR   4           HN       THR   4  35.405  24.927  17.766
   17    HA   THR   4           HA       THR   4  34.869  25.437  15.059
   18    HB   THR   4           HB       THR   4  37.675  25.341  16.260
   19    HG1  THR   4           HG1      THR   4  36.589  26.614  17.430
   20   HG21  THR   4          1HG2      THR   4  37.750  25.440  13.883
   21   HG22  THR   4          2HG2      THR   4  37.887  27.122  14.472
   22   HG23  THR   4          3HG2      THR   4  36.285  26.540  13.885
   23    HA   DPR   5           HA       DPR   5  36.642  21.575  13.145
   24    HB2  DPR   5           HB2      DPR   5  35.610  21.871  11.409
   25    HB3  DPR   5           HB1      DPR   5  34.377  20.696  12.053
   26    HG2  DPR   5           HG2      DPR   5  33.580  23.206  11.249
   27    HG3  DPR   5           HG1      DPR   5  33.002  22.466  12.759
   28    HD2  DPR   5           HD2      DPR   5  35.162  24.444  12.423
   29    HD3  DPR   5           HD1      DPR   5  33.719  24.452  13.535
   30    H    DAR   6           HN       DAR   6  34.221  21.716  15.561
   31    HA   DAR   6           HA       DAR   6  33.699  18.963  16.036
   32    HB2  DAR   6           HB2      DAR   6  33.541  21.127  18.041
   33    HB3  DAR   6           HB1      DAR   6  32.236  20.575  16.994
   34    HG2  DAR   6           HG2      DAR   6  32.138  18.517  17.916
   35    HG3  DAR   6           HG1      DAR   6  33.492  18.687  19.052
   36    HD2  DAR   6           HD2      DAR   6  30.955  20.391  19.171
   37    HD3  DAR   6           HD1      DAR   6  31.204  18.930  19.949
   38    HE   DAR   6           HE       DAR   6  33.353  20.053  20.955
   39   HH11  DAR   6          1HH1      DAR   6  33.453  21.402  22.727
   40   HH12  DAR   6          2HH1      DAR   6  32.182  22.389  23.264
   41   HH21  DAR   6          1HH2      DAR   6  29.951  21.133  20.862
   42   HH22  DAR   6          2HH2      DAR   6  30.193  22.359  22.025
   43    H    GLN   7           HN       GLN   7  36.101  21.197  17.379
   44    HA   GLN   7           HA       GLN   7  37.950  18.946  17.720
   45    HB2  GLN   7           HB2      GLN   7  38.252  21.930  17.723
   46    HB3  GLN   7           HB1      GLN   7  39.567  21.016  18.421
   47    HG2  GLN   7           HG2      GLN   7  39.735  19.859  16.143
   48    HG3  GLN   7           HG1      GLN   7  38.453  20.961  15.666
   49   HE21  GLN   7          1HE2      GLN   7  38.669  23.113  15.700
   50   HE22  GLN   7          2HE2      GLN   7  40.190  23.976  15.838
   51    H    DGN   8           HN       DGN   8  36.127  18.387  19.496
   52    HA   DGN   8           HA       DGN   8  37.621  18.562  21.960
   53    HB2  DGN   8           HB2      DGN   8  34.979  17.291  21.203
   54    HB3  DGN   8           HB1      DGN   8  36.570  16.529  21.309
   55    HG2  DGN   8           HG2      DGN   8  36.592  16.722  23.710
   56    HG3  DGN   8           HG1      DGN   8  35.088  17.555  23.758
   57   HE21  DGN   8          1HE2      DGN   8  35.585  15.187  25.151
   58   HE22  DGN   8          2HE2      DGN   8  34.491  13.974  24.444
  Start of MODEL   13
    1    H1   ASP   1           HN       ASP   1  37.298  20.489  22.933
    2    HA   ASP   1           HA       ASP   1  34.532  21.058  23.832
    3    HB2  ASP   1           HB2      ASP   1  36.839  22.508  25.049
    4    HB3  ASP   1           HB1      ASP   1  35.162  22.551  25.540
    5    H    ASP   2           HN       ASP   2  37.193  22.284  21.826
    6    HA   ASP   2           HA       ASP   2  36.182  24.951  21.489
    7    HB2  ASP   2           HB2      ASP   2  38.493  24.653  21.172
    8    HB3  ASP   2           HB1      ASP   2  38.166  23.369  19.918
    9    HA   PRO   3           HA       PRO   3  32.889  23.176  18.728
   10    HB2  PRO   3           HB2      PRO   3  32.413  25.858  17.848
   11    HB3  PRO   3           HB1      PRO   3  31.267  24.753  18.556
   12    HG2  PRO   3           HG2      PRO   3  32.372  26.896  19.941
   13    HG3  PRO   3           HG1      PRO   3  31.681  25.392  20.737
   14    HD2  PRO   3           HD2      PRO   3  34.473  26.359  20.203
   15    HD3  PRO   3           HD1      PRO   3  33.916  25.250  21.502
   16    H    THR   4           HN       THR   4  35.400  25.011  17.632
   17    HA   THR   4           HA       THR   4  34.792  25.302  14.813
   18    HB   THR   4           HB       THR   4  37.552  24.999  15.884
   19    HG1  THR   4           HG1      THR   4  36.649  26.355  17.246
   20   HG21  THR   4          1HG2      THR   4  36.096  26.635  13.642
   21   HG22  THR   4          2HG2      THR   4  37.235  25.375  13.385
   22   HG23  THR   4          3HG2      THR   4  37.775  26.915  14.116
   23    HA   DPR   5           HA       DPR   5  36.197  21.560  12.971
   24    HB2  DPR   5           HB2      DPR   5  34.822  21.744  11.137
   25    HB3  DPR   5           HB1      DPR   5  33.690  20.696  12.000
   26    HG2  DPR   5           HG2      DPR   5  32.979  23.274  11.331
   27    HG3  DPR   5           HG1      DPR   5  32.546  22.340  12.906
   28    HD2  DPR   5           HD2      DPR   5  34.697  24.391  12.355
   29    HD3  DPR   5           HD1      DPR   5  33.476  24.436  13.621
   30    H    DAR   6           HN       DAR   6  34.271  21.633  15.731
   31    HA   DAR   6           HA       DAR   6  34.059  18.843  16.206
   32    HB2  DAR   6           HB2      DAR   6  33.824  21.007  18.191
   33    HB3  DAR   6           HB1      DAR   6  32.420  20.482  17.129
   34    HG2  DAR   6           HG2      DAR   6  32.602  18.257  18.053
   35    HG3  DAR   6           HG1      DAR   6  33.964  18.635  19.028
   36    HD2  DAR   6           HD2      DAR   6  31.188  19.854  19.126
   37    HD3  DAR   6           HD1      DAR   6  31.690  18.692  20.257
   38    HE   DAR   6           HE       DAR   6  33.509  20.536  20.913
   39   HH11  DAR   6          1HH1      DAR   6  33.153  22.504  22.209
   40   HH12  DAR   6          2HH1      DAR   6  31.533  22.684  22.835
   41   HH21  DAR   6          1HH2      DAR   6  30.219  20.109  21.050
   42   HH22  DAR   6          2HH2      DAR   6  29.866  21.519  22.127
   43    H    GLN   7           HN       GLN   7  36.320  21.211  17.364
   44    HA   GLN   7           HA       GLN   7  38.293  19.021  17.827
   45    HB2  GLN   7           HB2      GLN   7  38.424  22.058  17.700
   46    HB3  GLN   7           HB1      GLN   7  39.768  21.035  18.392
   47    HG2  GLN   7           HG2      GLN   7  40.275  20.008  16.530
   48    HG3  GLN   7           HG1      GLN   7  38.721  20.207  15.749
   49   HE21  GLN   7          1HE2      GLN   7  38.203  22.523  15.024
   50   HE22  GLN   7          2HE2      GLN   7  39.591  23.488  14.398
   51    H    DGN   8           HN       DGN   8  36.538  18.361  19.517
   52    HA   DGN   8           HA       DGN   8  37.831  18.660  22.044
   53    HB2  DGN   8           HB2      DGN   8  35.294  17.243  21.249
   54    HB3  DGN   8           HB1      DGN   8  36.830  16.570  21.174
   55    HG2  DGN   8           HG2      DGN   8  37.104  16.747  23.682
   56    HG3  DGN   8           HG1      DGN   8  35.418  17.383  23.699
   57   HE21  DGN   8          1HE2      DGN   8  35.609  15.577  25.377
   58   HE22  DGN   8          2HE2      DGN   8  35.325  13.928  24.852
  Start of MODEL   14
    1    H1   ASP   1           HN       ASP   1  37.467  20.414  23.183
    2    HA   ASP   1           HA       ASP   1  34.819  21.283  24.215
    3    HB2  ASP   1           HB2      ASP   1  36.016  22.875  25.498
    4    HB3  ASP   1           HB1      ASP   1  36.435  21.346  25.933
    5    H    ASP   2           HN       ASP   2  37.037  22.163  21.767
    6    HA   ASP   2           HA       ASP   2  35.948  25.002  21.340
    7    HB2  ASP   2           HB2      ASP   2  38.181  24.914  21.237
    8    HB3  ASP   2           HB1      ASP   2  38.150  23.450  20.108
    9    HA   PRO   3           HA       PRO   3  33.021  22.935  18.841
   10    HB2  PRO   3           HB2      PRO   3  31.913  25.306  17.582
   11    HB3  PRO   3           HB1      PRO   3  31.433  24.370  19.119
   12    HG2  PRO   3           HG2      PRO   3  32.692  27.023  19.087
   13    HG3  PRO   3           HG1      PRO   3  31.993  25.943  20.420
   14    HD2  PRO   3           HD2      PRO   3  34.758  26.293  19.974
   15    HD3  PRO   3           HD1      PRO   3  33.848  25.492  21.287
   16    H    THR   4           HN       THR   4  35.580  25.011  17.565
   17    HA   THR   4           HA       THR   4  34.795  25.371  14.967
   18    HB   THR   4           HB       THR   4  37.590  25.161  16.039
   19    HG1  THR   4           HG1      THR   4  36.653  26.568  17.292
   20   HG21  THR   4          1HG2      THR   4  37.286  25.295  13.465
   21   HG22  THR   4          2HG2      THR   4  38.157  26.638  14.248
   22   HG23  THR   4          3HG2      THR   4  36.642  26.952  13.755
   23    HA   DPR   5           HA       DPR   5  36.176  21.562  12.869
   24    HB2  DPR   5           HB2      DPR   5  34.647  21.852  11.232
   25    HB3  DPR   5           HB1      DPR   5  33.606  20.682  12.014
   26    HG2  DPR   5           HG2      DPR   5  32.632  23.089  11.817
   27    HG3  DPR   5           HG1      DPR   5  32.561  22.166  13.406
   28    HD2  DPR   5           HD2      DPR   5  34.455  24.433  12.678
   29    HD3  DPR   5           HD1      DPR   5  33.365  24.310  14.042
   30    H    DAR   6           HN       DAR   6  33.966  21.515  15.734
   31    HA   DAR   6           HA       DAR   6  34.019  18.792  16.084
   32    HB2  DAR   6           HB2      DAR   6  33.899  21.019  18.060
   33    HB3  DAR   6           HB1      DAR   6  32.499  20.527  17.160
   34    HG2  DAR   6           HG2      DAR   6  32.504  18.299  18.337
   35    HG3  DAR   6           HG1      DAR   6  33.889  18.917  19.214
   36    HD2  DAR   6           HD2      DAR   6  31.048  19.993  19.209
   37    HD3  DAR   6           HD1      DAR   6  31.638  18.805  20.349
   38    HE   DAR   6           HE       DAR   6  33.362  20.545  20.983
   39   HH11  DAR   6          1HH1      DAR   6  33.337  22.738  22.010
   40   HH12  DAR   6          2HH1      DAR   6  31.733  23.561  22.000
   41   HH21  DAR   6          1HH2      DAR   6  30.001  21.484  20.193
   42   HH22  DAR   6          2HH2      DAR   6  30.071  22.837  21.294
   43    H    GLN   7           HN       GLN   7  36.432  21.210  17.088
   44    HA   GLN   7           HA       GLN   7  38.275  19.076  17.935
   45    HB2  GLN   7           HB2      GLN   7  38.560  22.150  17.883
   46    HB3  GLN   7           HB1      GLN   7  39.760  20.943  18.455
   47    HG2  GLN   7           HG2      GLN   7  40.079  19.929  16.313
   48    HG3  GLN   7           HG1      GLN   7  38.789  20.834  15.632
   49   HE21  GLN   7          1HE2      GLN   7  38.796  23.063  15.450
   50   HE22  GLN   7          2HE2      GLN   7  40.338  23.966  15.488
   51    H    DGN   8           HN       DGN   8  36.495  18.348  19.427
   52    HA   DGN   8           HA       DGN   8  37.494  18.484  22.045
   53    HB2  DGN   8           HB2      DGN   8  34.753  17.525  21.150
   54    HB3  DGN   8           HB1      DGN   8  36.275  16.600  20.977
   55    HG2  DGN   8           HG2      DGN   8  36.711  16.761  23.275
   56    HG3  DGN   8           HG1      DGN   8  35.251  17.481  23.779
   57   HE21  DGN   8          1HE2      DGN   8  33.135  16.129  22.518
   58   HE22  DGN   8          2HE2      DGN   8  33.237  14.457  22.896
  Start of MODEL   15
    1    H1   ASP   1           HN       ASP   1  37.424  20.060  23.608
    2    HA   ASP   1           HA       ASP   1  35.018  21.168  24.191
    3    HB2  ASP   1           HB2      ASP   1  37.698  22.504  24.514
    4    HB3  ASP   1           HB1      ASP   1  36.107  22.827  25.430
    5    H    ASP   2           HN       ASP   2  36.955  22.051  21.576
    6    HA   ASP   2           HA       ASP   2  35.685  24.746  21.329
    7    HB2  ASP   2           HB2      ASP   2  38.181  24.673  21.206
    8    HB3  ASP   2           HB1      ASP   2  37.919  23.613  19.763
    9    HA   PRO   3           HA       PRO   3  32.603  23.086  18.506
   10    HB2  PRO   3           HB2      PRO   3  31.704  25.296  17.518
   11    HB3  PRO   3           HB1      PRO   3  31.356  24.596  19.224
   12    HG2  PRO   3           HG2      PRO   3  33.441  26.768  18.434
   13    HG3  PRO   3           HG1      PRO   3  32.135  26.955  19.648
   14    HD2  PRO   3           HD2      PRO   3  34.576  26.156  20.301
   15    HD3  PRO   3           HD1      PRO   3  33.161  25.369  21.081
   16    H    THR   4           HN       THR   4  35.362  25.160  17.642
   17    HA   THR   4           HA       THR   4  35.050  25.283  14.846
   18    HB   THR   4           HB       THR   4  37.510  25.001  16.480
   19    HG1  THR   4           HG1      THR   4  36.390  26.706  17.242
   20   HG21  THR   4          1HG2      THR   4  38.660  26.360  14.730
   21   HG22  THR   4          2HG2      THR   4  37.177  26.455  13.782
   22   HG23  THR   4          3HG2      THR   4  38.065  24.881  13.995
   23    HA   DPR   5           HA       DPR   5  36.435  21.630  13.243
   24    HB2  DPR   5           HB2      DPR   5  35.030  21.867  11.375
   25    HB3  DPR   5           HB1      DPR   5  33.995  20.675  12.209
   26    HG2  DPR   5           HG2      DPR   5  32.868  23.186  11.651
   27    HG3  DPR   5           HG1      DPR   5  32.569  22.445  13.156
   28    HD2  DPR   5           HD2      DPR   5  34.744  24.379  12.436
   29    HD3  DPR   5           HD1      DPR   5  33.647  24.425  13.871
   30    H    DAR   6           HN       DAR   6  34.134  21.758  15.714
   31    HA   DAR   6           HA       DAR   6  33.861  18.992  16.147
   32    HB2  DAR   6           HB2      DAR   6  33.725  21.137  18.284
   33    HB3  DAR   6           HB1      DAR   6  32.414  20.766  17.130
   34    HG2  DAR   6           HG2      DAR   6  32.438  18.404  18.009
   35    HG3  DAR   6           HG1      DAR   6  33.583  18.818  19.163
   36    HD2  DAR   6           HD2      DAR   6  30.676  19.852  18.954
   37    HD3  DAR   6           HD1      DAR   6  31.346  18.615  19.986
   38    HE   DAR   6           HE       DAR   6  32.639  20.345  21.129
   39   HH11  DAR   6          1HH1      DAR   6  32.227  22.357  22.375
   40   HH12  DAR   6          2HH1      DAR   6  31.046  23.447  21.823
   41   HH21  DAR   6          1HH2      DAR   6  29.912  21.637  19.101
   42   HH22  DAR   6          2HH2      DAR   6  29.607  22.918  20.153
   43    H    GLN   7           HN       GLN   7  36.255  21.343  17.333
   44    HA   GLN   7           HA       GLN   7  38.097  19.117  17.760
   45    HB2  GLN   7           HB2      GLN   7  38.292  22.031  17.711
   46    HB3  GLN   7           HB1      GLN   7  39.637  21.025  18.437
   47    HG2  GLN   7           HG2      GLN   7  39.937  20.000  16.325
   48    HG3  GLN   7           HG1      GLN   7  38.616  20.871  15.534
   49   HE21  GLN   7          1HE2      GLN   7  38.965  23.064  15.113
   50   HE22  GLN   7          2HE2      GLN   7  40.504  23.916  15.278
   51    H    DGN   8           HN       DGN   8  36.465  18.216  19.499
   52    HA   DGN   8           HA       DGN   8  37.781  18.602  21.966
   53    HB2  DGN   8           HB2      DGN   8  35.683  17.070  22.509
   54    HB3  DGN   8           HB1      DGN   8  35.354  17.082  20.815
   55    HG2  DGN   8           HG2      DGN   8  36.576  15.108  21.083
   56    HG3  DGN   8           HG1      DGN   8  37.670  16.152  20.359
   57   HE21  DGN   8          1HE2      DGN   8  36.983  14.528  23.387
   58   HE22  DGN   8          2HE2      DGN   8  38.573  15.002  24.104
  Start of MODEL   16
    1    H1   ASP   1           HN       ASP   1  37.476  20.341  22.946
    2    HA   ASP   1           HA       ASP   1  35.065  21.377  24.152
    3    HB2  ASP   1           HB2      ASP   1  37.827  22.395  24.835
    4    HB3  ASP   1           HB1      ASP   1  36.397  22.445  25.830
    5    H    ASP   2           HN       ASP   2  36.970  22.257  21.423
    6    HA   ASP   2           HA       ASP   2  35.654  24.888  21.561
    7    HB2  ASP   2           HB2      ASP   2  38.124  24.731  21.363
    8    HB3  ASP   2           HB1      ASP   2  38.075  23.968  19.840
    9    HA   PRO   3           HA       PRO   3  32.815  23.028  18.769
   10    HB2  PRO   3           HB2      PRO   3  31.627  25.319  17.687
   11    HB3  PRO   3           HB1      PRO   3  31.347  24.699  19.357
   12    HG2  PRO   3           HG2      PRO   3  33.356  26.781  18.434
   13    HG3  PRO   3           HG1      PRO   3  32.102  26.922  19.724
   14    HD2  PRO   3           HD2      PRO   3  34.638  26.327  20.448
   15    HD3  PRO   3           HD1      PRO   3  33.248  25.478  21.195
   16    H    THR   4           HN       THR   4  35.076  25.411  17.670
   17    HA   THR   4           HA       THR   4  34.757  25.401  14.935
   18    HB   THR   4           HB       THR   4  37.450  25.021  16.262
   19    HG1  THR   4           HG1      THR   4  36.397  26.548  17.259
   20   HG21  THR   4          1HG2      THR   4  37.629  24.906  13.811
   21   HG22  THR   4          2HG2      THR   4  38.363  26.405  14.353
   22   HG23  THR   4          3HG2      THR   4  36.765  26.457  13.739
   23    HA   DPR   5           HA       DPR   5  36.756  21.742  13.343
   24    HB2  DPR   5           HB2      DPR   5  35.396  21.968  11.343
   25    HB3  DPR   5           HB1      DPR   5  34.650  20.533  12.041
   26    HG2  DPR   5           HG2      DPR   5  33.164  22.762  11.616
   27    HG3  DPR   5           HG1      DPR   5  32.930  21.862  13.091
   28    HD2  DPR   5           HD2      DPR   5  34.450  24.479  12.735
   29    HD3  DPR   5           HD1      DPR   5  33.438  24.039  14.037
   30    H    DAR   6           HN       DAR   6  34.278  21.626  15.606
   31    HA   DAR   6           HA       DAR   6  33.849  18.752  15.858
   32    HB2  DAR   6           HB2      DAR   6  33.749  20.779  18.066
   33    HB3  DAR   6           HB1      DAR   6  32.459  20.608  16.878
   34    HG2  DAR   6           HG2      DAR   6  32.074  18.270  17.646
   35    HG3  DAR   6           HG1      DAR   6  33.419  18.393  18.848
   36    HD2  DAR   6           HD2      DAR   6  30.915  20.086  18.977
   37    HD3  DAR   6           HD1      DAR   6  31.242  18.643  19.957
   38    HE   DAR   6           HE       DAR   6  33.295  20.049  20.687
   39   HH11  DAR   6          1HH1      DAR   6  33.530  21.641  21.994
   40   HH12  DAR   6          2HH1      DAR   6  32.204  22.737  22.421
   41   HH21  DAR   6          1HH2      DAR   6  30.046  21.417  19.973
   42   HH22  DAR   6          2HH2      DAR   6  30.343  22.707  21.101
   43    H    GLN   7           HN       GLN   7  36.169  20.939  17.047
   44    HA   GLN   7           HA       GLN   7  37.939  18.763  17.821
   45    HB2  GLN   7           HB2      GLN   7  38.460  21.803  17.602
   46    HB3  GLN   7           HB1      GLN   7  39.607  20.571  18.220
   47    HG2  GLN   7           HG2      GLN   7  39.856  19.655  16.147
   48    HG3  GLN   7           HG1      GLN   7  38.424  20.395  15.456
   49   HE21  GLN   7          1HE2      GLN   7  38.663  23.120  15.735
   50   HE22  GLN   7          2HE2      GLN   7  40.172  23.661  15.079
   51    H    DGN   8           HN       DGN   8  36.448  18.134  19.559
   52    HA   DGN   8           HA       DGN   8  37.696  18.747  21.977
   53    HB2  DGN   8           HB2      DGN   8  35.968  17.117  22.922
   54    HB3  DGN   8           HB1      DGN   8  35.250  16.983  21.275
   55    HG2  DGN   8           HG2      DGN   8  38.121  16.632  21.301
   56    HG3  DGN   8           HG1      DGN   8  37.210  15.454  22.269
   57   HE21  DGN   8          1HE2      DGN   8  38.524  14.190  20.349
   58   HE22  DGN   8          2HE2      DGN   8  37.662  14.128  18.802
  Start of MODEL   17
    1    H1   ASP   1           HN       ASP   1  37.472  20.326  23.392
    2    HA   ASP   1           HA       ASP   1  34.930  21.502  24.243
    3    HB2  ASP   1           HB2      ASP   1  37.124  21.145  25.671
    4    HB3  ASP   1           HB1      ASP   1  37.867  22.278  24.636
    5    H    ASP   2           HN       ASP   2  37.206  22.307  21.760
    6    HA   ASP   2           HA       ASP   2  36.087  24.955  21.417
    7    HB2  ASP   2           HB2      ASP   2  38.436  24.903  20.902
    8    HB3  ASP   2           HB1      ASP   2  38.154  23.619  19.815
    9    HA   PRO   3           HA       PRO   3  32.825  22.950  19.027
   10    HB2  PRO   3           HB2      PRO   3  31.641  25.188  17.926
   11    HB3  PRO   3           HB1      PRO   3  31.334  24.641  19.597
   12    HG2  PRO   3           HG2      PRO   3  33.533  26.601  18.604
   13    HG3  PRO   3           HG1      PRO   3  32.208  26.859  19.867
   14    HD2  PRO   3           HD2      PRO   3  34.583  26.192  20.616
   15    HD3  PRO   3           HD1      PRO   3  33.200  25.191  21.269
   16    H    THR   4           HN       THR   4  35.247  25.064  17.820
   17    HA   THR   4           HA       THR   4  34.452  25.286  15.085
   18    HB   THR   4           HB       THR   4  37.247  25.504  16.006
   19    HG1  THR   4           HG1      THR   4  36.056  27.010  17.270
   20   HG21  THR   4          1HG2      THR   4  37.478  27.029  14.358
   21   HG22  THR   4          2HG2      THR   4  35.786  26.924  13.839
   22   HG23  THR   4          3HG2      THR   4  36.809  25.552  13.532
   23    HA   DPR   5           HA       DPR   5  36.712  21.799  13.087
   24    HB2  DPR   5           HB2      DPR   5  35.537  22.167  11.277
   25    HB3  DPR   5           HB1      DPR   5  34.671  20.666  11.733
   26    HG2  DPR   5           HG2      DPR   5  33.353  22.936  11.328
   27    HG3  DPR   5           HG1      DPR   5  32.841  21.726  12.640
   28    HD2  DPR   5           HD2      DPR   5  34.491  24.284  12.549
   29    HD3  DPR   5           HD1      DPR   5  33.210  23.909  13.752
   30    H    DAR   6           HN       DAR   6  34.225  21.507  15.537
   31    HA   DAR   6           HA       DAR   6  33.870  18.728  15.918
   32    HB2  DAR   6           HB2      DAR   6  33.796  21.022  17.843
   33    HB3  DAR   6           HB1      DAR   6  32.425  20.502  16.840
   34    HG2  DAR   6           HG2      DAR   6  32.691  18.213  17.864
   35    HG3  DAR   6           HG1      DAR   6  33.732  18.928  19.065
   36    HD2  DAR   6           HD2      DAR   6  30.995  19.985  18.478
   37    HD3  DAR   6           HD1      DAR   6  31.350  18.802  19.725
   38    HE   DAR   6           HE       DAR   6  33.113  20.533  20.609
   39   HH11  DAR   6          1HH1      DAR   6  33.046  22.377  22.043
   40   HH12  DAR   6          2HH1      DAR   6  31.585  23.256  22.032
   41   HH21  DAR   6          1HH2      DAR   6  29.783  21.442  19.808
   42   HH22  DAR   6          2HH2      DAR   6  29.748  22.749  20.911
   43    H    GLN   7           HN       GLN   7  36.416  21.007  17.262
   44    HA   GLN   7           HA       GLN   7  38.165  18.781  17.312
   45    HB2  GLN   7           HB2      GLN   7  38.116  21.675  18.264
   46    HB3  GLN   7           HB1      GLN   7  39.563  20.730  18.745
   47    HG2  GLN   7           HG2      GLN   7  40.131  20.263  16.502
   48    HG3  GLN   7           HG1      GLN   7  38.645  20.988  15.879
   49   HE21  GLN   7          1HE2      GLN   7  38.554  23.443  16.015
   50   HE22  GLN   7          2HE2      GLN   7  40.011  24.327  16.460
   51    H    DGN   8           HN       DGN   8  35.925  19.707  19.753
   52    HA   DGN   8           HA       DGN   8  37.548  18.828  21.994
   53    HB2  DGN   8           HB2      DGN   8  34.830  17.492  21.405
   54    HB3  DGN   8           HB1      DGN   8  36.408  16.758  20.972
   55    HG2  DGN   8           HG2      DGN   8  37.145  17.096  23.318
   56    HG3  DGN   8           HG1      DGN   8  35.542  17.653  23.735
   57   HE21  DGN   8          1HE2      DGN   8  36.566  15.374  24.848
   58   HE22  DGN   8          2HE2      DGN   8  35.809  13.865  24.197
  Start of MODEL   18
    1    H1   ASP   1           HN       ASP   1  37.475  20.390  22.616
    2    HA   ASP   1           HA       ASP   1  35.244  21.371  24.343
    3    HB2  ASP   1           HB2      ASP   1  38.280  22.195  24.239
    4    HB3  ASP   1           HB1      ASP   1  37.100  22.914  25.273
    5    H    ASP   2           HN       ASP   2  37.250  22.364  21.579
    6    HA   ASP   2           HA       ASP   2  35.784  24.880  21.456
    7    HB2  ASP   2           HB2      ASP   2  38.227  24.834  21.003
    8    HB3  ASP   2           HB1      ASP   2  37.967  23.864  19.636
    9    HA   PRO   3           HA       PRO   3  32.668  23.040  18.663
   10    HB2  PRO   3           HB2      PRO   3  32.273  25.984  18.231
   11    HB3  PRO   3           HB1      PRO   3  31.034  24.729  18.380
   12    HG2  PRO   3           HG2      PRO   3  31.618  26.247  20.435
   13    HG3  PRO   3           HG1      PRO   3  31.452  24.453  20.805
   14    HD2  PRO   3           HD2      PRO   3  33.981  25.965  20.707
   15    HD3  PRO   3           HD1      PRO   3  33.558  24.765  21.690
   16    H    THR   4           HN       THR   4  35.382  25.080  17.712
   17    HA   THR   4           HA       THR   4  34.835  25.230  14.897
   18    HB   THR   4           HB       THR   4  37.537  25.205  16.069
   19    HG1  THR   4           HG1      THR   4  36.331  26.660  17.077
   20   HG21  THR   4          1HG2      THR   4  37.415  25.172  13.559
   21   HG22  THR   4          2HG2      THR   4  37.993  26.799  14.159
   22   HG23  THR   4          3HG2      THR   4  36.378  26.613  13.554
   23    HA   DPR   5           HA       DPR   5  36.399  21.627  13.034
   24    HB2  DPR   5           HB2      DPR   5  35.040  21.879  11.249
   25    HB3  DPR   5           HB1      DPR   5  34.019  20.554  12.088
   26    HG2  DPR   5           HG2      DPR   5  32.890  23.006  11.554
   27    HG3  DPR   5           HG1      DPR   5  32.682  22.230  13.091
   28    HD2  DPR   5           HD2      DPR   5  34.749  24.254  12.315
   29    HD3  DPR   5           HD1      DPR   5  33.533  24.374  13.645
   30    H    DAR   6           HN       DAR   6  34.165  21.674  15.503
   31    HA   DAR   6           HA       DAR   6  34.146  18.826  15.830
   32    HB2  DAR   6           HB2      DAR   6  33.719  21.114  17.911
   33    HB3  DAR   6           HB1      DAR   6  32.581  20.618  16.735
   34    HG2  DAR   6           HG2      DAR   6  31.967  18.669  17.792
   35    HG3  DAR   6           HG1      DAR   6  33.412  18.670  18.870
   36    HD2  DAR   6           HD2      DAR   6  31.091  20.675  18.797
   37    HD3  DAR   6           HD1      DAR   6  31.116  19.278  19.728
   38    HE   DAR   6           HE       DAR   6  33.469  20.317  20.634
   39   HH11  DAR   6          1HH1      DAR   6  33.880  21.934  22.163
   40   HH12  DAR   6          2HH1      DAR   6  32.480  22.960  22.567
   41   HH21  DAR   6          1HH2      DAR   6  30.118  21.262  20.855
   42   HH22  DAR   6          2HH2      DAR   6  30.471  22.408  22.139
   43    H    GLN   7           HN       GLN   7  36.467  21.151  17.069
   44    HA   GLN   7           HA       GLN   7  38.134  19.086  17.831
   45    HB2  GLN   7           HB2      GLN   7  38.582  22.047  18.044
   46    HB3  GLN   7           HB1      GLN   7  39.741  20.805  18.500
   47    HG2  GLN   7           HG2      GLN   7  39.828  19.992  16.276
   48    HG3  GLN   7           HG1      GLN   7  38.444  21.021  15.766
   49   HE21  GLN   7          1HE2      GLN   7  38.753  23.181  14.975
   50   HE22  GLN   7          2HE2      GLN   7  40.364  23.680  14.756
   51    H    DGN   8           HN       DGN   8  36.361  18.277  19.450
   52    HA   DGN   8           HA       DGN   8  37.458  18.314  22.026
   53    HB2  DGN   8           HB2      DGN   8  35.237  17.119  22.509
   54    HB3  DGN   8           HB1      DGN   8  34.835  17.264  20.858
   55    HG2  DGN   8           HG2      DGN   8  36.688  16.001  20.173
   56    HG3  DGN   8           HG1      DGN   8  37.468  16.074  21.736
   57   HE21  DGN   8          1HE2      DGN   8  35.139  14.334  19.813
   58   HE22  DGN   8          2HE2      DGN   8  34.545  13.193  21.048
  Start of MODEL   19
    1    H1   ASP   1           HN       ASP   1  37.512  19.912  23.483
    2    HA   ASP   1           HA       ASP   1  35.552  21.253  24.495
    3    HB2  ASP   1           HB2      ASP   1  38.346  22.283  24.493
    4    HB3  ASP   1           HB1      ASP   1  37.069  22.758  25.695
    5    H    ASP   2           HN       ASP   2  37.038  22.289  21.640
    6    HA   ASP   2           HA       ASP   2  35.661  24.825  21.561
    7    HB2  ASP   2           HB2      ASP   2  38.100  24.608  21.013
    8    HB3  ASP   2           HB1      ASP   2  37.524  23.841  19.503
    9    HA   PRO   3           HA       PRO   3  32.814  22.769  18.661
   10    HB2  PRO   3           HB2      PRO   3  31.464  24.963  17.623
   11    HB3  PRO   3           HB1      PRO   3  31.180  24.162  19.239
   12    HG2  PRO   3           HG2      PRO   3  32.686  26.696  18.545
   13    HG3  PRO   3           HG1      PRO   3  31.567  26.406  19.839
   14    HD2  PRO   3           HD2      PRO   3  34.079  26.336  20.358
   15    HD3  PRO   3           HD1      PRO   3  33.059  25.163  21.084
   16    H    THR   4           HN       THR   4  35.220  25.099  17.662
   17    HA   THR   4           HA       THR   4  34.934  25.464  14.861
   18    HB   THR   4           HB       THR   4  37.355  25.105  16.643
   19    HG1  THR   4           HG1      THR   4  36.337  26.903  17.300
   20   HG21  THR   4          1HG2      THR   4  36.833  26.743  14.106
   21   HG22  THR   4          2HG2      THR   4  37.638  25.265  13.968
   22   HG23  THR   4          3HG2      THR   4  38.336  26.632  15.042
   23    HA   DPR   5           HA       DPR   5  36.869  21.602  13.387
   24    HB2  DPR   5           HB2      DPR   5  35.933  21.441  11.378
   25    HB3  DPR   5           HB1      DPR   5  34.745  20.328  12.056
   26    HG2  DPR   5           HG2      DPR   5  33.892  22.716  11.031
   27    HG3  DPR   5           HG1      DPR   5  33.236  21.948  12.581
   28    HD2  DPR   5           HD2      DPR   5  35.243  24.173  12.316
   29    HD3  DPR   5           HD1      DPR   5  33.705  24.148  13.220
   30    H    DAR   6           HN       DAR   6  33.987  21.615  15.436
   31    HA   DAR   6           HA       DAR   6  33.792  18.884  15.914
   32    HB2  DAR   6           HB2      DAR   6  33.645  21.000  18.044
   33    HB3  DAR   6           HB1      DAR   6  32.376  20.526  16.801
   34    HG2  DAR   6           HG2      DAR   6  32.025  18.485  17.694
   35    HG3  DAR   6           HG1      DAR   6  33.472  18.563  18.775
   36    HD2  DAR   6           HD2      DAR   6  30.801  19.889  19.248
   37    HD3  DAR   6           HD1      DAR   6  31.378  18.504  20.029
   38    HE   DAR   6           HE       DAR   6  33.262  19.832  20.993
   39   HH11  DAR   6          1HH1      DAR   6  33.649  21.581  22.276
   40   HH12  DAR   6          2HH1      DAR   6  32.488  22.877  22.450
   41   HH21  DAR   6          1HH2      DAR   6  30.497  21.606  19.769
   42   HH22  DAR   6          2HH2      DAR   6  30.560  22.758  21.086
   43    H    GLN   7           HN       GLN   7  36.071  21.138  17.434
   44    HA   GLN   7           HA       GLN   7  38.210  19.182  17.316
   45    HB2  GLN   7           HB2      GLN   7  38.329  21.827  17.260
   46    HB3  GLN   7           HB1      GLN   7  38.279  21.702  19.026
   47    HG2  GLN   7           HG2      GLN   7  40.157  20.216  19.143
   48    HG3  GLN   7           HG1      GLN   7  40.281  20.404  17.378
   49   HE21  GLN   7          1HE2      GLN   7  42.498  21.324  17.846
   50   HE22  GLN   7          2HE2      GLN   7  42.634  23.029  18.276
   51    H    DGN   8           HN       DGN   8  35.908  20.100  19.816
   52    HA   DGN   8           HA       DGN   8  37.307  18.361  21.854
   53    HB2  DGN   8           HB2      DGN   8  34.280  18.200  21.231
   54    HB3  DGN   8           HB1      DGN   8  35.516  17.255  20.280
   55    HG2  DGN   8           HG2      DGN   8  36.272  16.329  22.282
   56    HG3  DGN   8           HG1      DGN   8  35.343  17.531  23.258
   57   HE21  DGN   8          1HE2      DGN   8  35.296  14.507  23.474
   58   HE22  DGN   8          2HE2      DGN   8  33.617  13.995  23.138
  Start of MODEL   20
    1    H1   ASP   1           HN       ASP   1  37.626  20.406  23.133
    2    HA   ASP   1           HA       ASP   1  34.928  20.832  24.095
    3    HB2  ASP   1           HB2      ASP   1  37.660  21.830  24.812
    4    HB3  ASP   1           HB1      ASP   1  36.260  22.751  25.353
    5    H    ASP   2           HN       ASP   2  36.996  22.236  21.653
    6    HA   ASP   2           HA       ASP   2  35.628  24.812  21.697
    7    HB2  ASP   2           HB2      ASP   2  38.093  23.802  20.626
    8    HB3  ASP   2           HB1      ASP   2  37.165  24.565  19.333
    9    HA   PRO   3           HA       PRO   3  32.586  23.452  18.601
   10    HB2  PRO   3           HB2      PRO   3  32.133  25.719  17.125
   11    HB3  PRO   3           HB1      PRO   3  31.432  25.452  18.732
   12    HG2  PRO   3           HG2      PRO   3  33.754  27.116  17.930
   13    HG3  PRO   3           HG1      PRO   3  32.521  27.406  19.167
   14    HD2  PRO   3           HD2      PRO   3  35.055  26.522  19.778
   15    HD3  PRO   3           HD1      PRO   3  33.621  26.162  20.768
   16    H    THR   4           HN       THR   4  35.187  25.496  17.454
   17    HA   THR   4           HA       THR   4  35.498  25.361  14.881
   18    HB   THR   4           HB       THR   4  37.846  24.501  16.539
   19    HG1  THR   4           HG1      THR   4  37.955  26.636  17.208
   20   HG21  THR   4          1HG2      THR   4  37.693  26.705  14.490
   21   HG22  THR   4          2HG2      THR   4  37.930  25.037  13.970
   22   HG23  THR   4          3HG2      THR   4  39.105  25.804  15.033
   23    HA   DPR   5           HA       DPR   5  36.237  21.321  12.967
   24    HB2  DPR   5           HB2      DPR   5  34.555  21.406  11.432
   25    HB3  DPR   5           HB1      DPR   5  33.603  20.435  12.570
   26    HG2  DPR   5           HG2      DPR   5  32.824  22.862  11.770
   27    HG3  DPR   5           HG1      DPR   5  32.488  22.249  13.403
   28    HD2  DPR   5           HD2      DPR   5  34.586  24.221  12.525
   29    HD3  DPR   5           HD1      DPR   5  33.554  24.195  13.978
   30    H    DAR   6           HN       DAR   6  33.925  21.533  15.581
   31    HA   DAR   6           HA       DAR   6  33.877  18.785  16.167
   32    HB2  DAR   6           HB2      DAR   6  33.411  20.866  18.261
   33    HB3  DAR   6           HB1      DAR   6  32.279  20.723  16.931
   34    HG2  DAR   6           HG2      DAR   6  31.648  18.493  17.545
   35    HG3  DAR   6           HG1      DAR   6  33.057  18.286  18.579
   36    HD2  DAR   6           HD2      DAR   6  30.810  20.251  19.209
   37    HD3  DAR   6           HD1      DAR   6  30.861  18.600  19.807
   38    HE   DAR   6           HE       DAR   6  33.305  19.685  20.532
   39   HH11  DAR   6          1HH1      DAR   6  33.635  20.648  22.547
   40   HH12  DAR   6          2HH1      DAR   6  32.288  21.244  23.458
   41   HH21  DAR   6          1HH2      DAR   6  29.933  20.335  21.092
   42   HH22  DAR   6          2HH2      DAR   6  30.202  21.068  22.638
   43    H    GLN   7           HN       GLN   7  36.177  21.316  16.858
   44    HA   GLN   7           HA       GLN   7  38.038  19.336  17.776
   45    HB2  GLN   7           HB2      GLN   7  38.213  22.353  17.837
   46    HB3  GLN   7           HB1      GLN   7  39.427  21.374  18.630
   47    HG2  GLN   7           HG2      GLN   7  40.162  20.411  16.637
   48    HG3  GLN   7           HG1      GLN   7  38.696  20.802  15.768
   49   HE21  GLN   7          1HE2      GLN   7  41.495  22.413  17.348
   50   HE22  GLN   7          2HE2      GLN   7  41.516  23.737  16.288
   51    H    DGN   8           HN       DGN   8  37.330  18.202  19.411
   52    HA   DGN   8           HA       DGN   8  38.097  18.781  21.931
   53    HB2  DGN   8           HB2      DGN   8  36.071  17.073  22.510
   54    HB3  DGN   8           HB1      DGN   8  36.184  16.819  20.776
   55    HG2  DGN   8           HG2      DGN   8  38.695  16.417  21.122
   56    HG3  DGN   8           HG1      DGN   8  38.353  16.389  22.858
   57   HE21  DGN   8          1HE2      DGN   8  37.648  14.721  19.780
   58   HE22  DGN   8          2HE2      DGN   8  37.139  13.268  20.507