*HEADER   VIRAL PEPTIDE                           23-OCT-97   1DSJ    
*TITLE    NMR SOLUTION STRUCTURE OF VPR50_75, 20 STRUCTURES           
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: VPR PROTEIN;                                     
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: RESIDUES 50 - 75;                                
*COMPND  5 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES                                             
*KEYWDS   VIRAL PEPTIDE, POLYPEPTIDE                                  
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   S.YAO,A.M.TORRES,A.A.AZAD,I.G.MACREADIE,R.S.NORTON          
*REVDAT  1   01-JUL-98 1DSJ    0                                      
 

# Here are the NOE contraints.  The dihedral constraints are at the
end of the constraints data.

!50A ACE
assign (resid 50A and name  HA#) (resid 50 and name   HN) 0.00 0  4.20
!50 TYR
assign (resid 50 and name   HN) (resid 50 and name  HB2) 0.00 0  4.10
assign (resid 50 and name   HN) (resid 50 and name  HB1) 0.00 0  4.10
assign (resid 50 and name   HN) (resid 50 and name  HB#) 0.00 0  3.85
assign (resid 50 and name   HN) (resid 51 and name   HN) 0.00 0  3.70
assign (resid 50 and name   HA) (resid 51 and name   HN) 0.00 0  3.10
assign (resid 50 and name   HA) (resid 52 and name   HN) 0.00 0  4.70
assign (resid 50 and name  HB2) (resid 51 and name   HN) 0.00 0  4.70
assign (resid 50 and name  HB1) (resid 51 and name   HN) 0.00 0  4.70
assign (resid 50 and name  HB#) (resid 51 and name   HN) 0.00 0  4.52
!51 GLY
assign (resid 51 and name  HA1) (resid 52 and name   HN) 0.00 0  3.50
assign (resid 51 and name  HA2) (resid 52 and name   HN) 0.00 0  3.50
assign (resid 51 and name  HA#) (resid 52 and name   HN) 0.00 0  3.19
assign (resid 51 and name  HA#) (resid 53 and name   HN) 0.00 0  4.58
!52 ASP
assign (resid 52 and name   HN) (resid 53 and name   HN) 0.00 0  3.40
assign (resid 52 and name   HN) (resid 53 and name   HA) 0.00 0  4.70
assign (resid 52 and name   HA) (resid 54 and name   HN) 0.00 0  5.30
assign (resid 52 and name   HA) (resid 55 and name   HN) 0.00 0  5.00
!53 THR
assign (resid 53 and name   HN) (resid 53 and name HG2#) 0.00 0  4.70
assign (resid 53 and name   HN) (resid 54 and name   HA) 0.00 0  4.80
assign (resid 53 and name   HN) (resid 54 and name  HB#) 0.00 0  6.00
assign (resid 53 and name   HN) (resid 55 and name   HN) 0.00 0  4.20
assign (resid 53 and name   HA) (resid 54 and name   HN) 0.00 0  3.10
assign (resid 53 and name   HA) (resid 54 and name   HA) 0.00 0  4.50
assign (resid 53 and name   HA) (resid 54 and name  HD1) 0.00 0  5.40
assign (resid 53 and name   HA) (resid 55 and name   HN) 0.00 0  3.50
assign (resid 53 and name   HA) (resid 56 and name   HN) 0.00 0  3.70
assign (resid 53 and name HG2#) (resid 54 and name  HD1) 0.00 0  7.20
assign (resid 53 and name HG2#) (resid 55 and name   HN) 0.00 0  7.50
!54 TRP
assign (resid 54 and name   HN) (resid 54 and name  HD1) 0.00 0  4.20
assign (resid 54 and name   HN) (resid 54 and name  HE3) 0.00 0  5.60
assign (resid 54 and name   HN) (resid 54 and name  HE1) 0.00 0  6.60
assign (resid 54 and name   HN) (resid 55 and name   HN) 0.00 0  3.10
assign (resid 54 and name   HN) (resid 55 and name  HB#) 0.00 0  7.20
assign (resid 54 and name   HA) (resid 55 and name   HN) 0.00 0  3.40
assign (resid 54 and name   HA) (resid 56 and name   HN) 0.00 0  4.00
assign (resid 54 and name   HA) (resid 57 and name   HB) 0.00 0  3.60
assign (resid 54 and name   HA) (resid 57 and name HG1#) 0.00 0  5.20
assign (resid 54 and name   HA) (resid 57 and name HG2#) 0.00 0  5.20
assign (resid 54 and name   HA) (resid 57 and name  HG#) 0.00 0  4.81
assign (resid 54 and name   HA) (resid 58 and name   HN) 0.00 0  4.00
assign (resid 54 and name  HB#) (resid 55 and name   HN) 0.00 0  4.90
assign (resid 54 and name  HB#) (resid 58 and name   HN) 0.00 0  6.80
assign (resid 54 and name  HD1) (resid 55 and name   HN) 0.00 0  4.90
assign (resid 54 and name  HD1) (resid 55 and name  HB#) 0.00 0  8.30
assign (resid 54 and name  HE3) (resid 57 and name   HA) 0.00 0  5.30
assign (resid 54 and name  HE3) (resid 57 and name   HB) 0.00 0  4.50
assign (resid 54 and name  HE3) (resid 57 and name HG1#) 0.00 0  4.80
assign (resid 54 and name  HE3) (resid 57 and name HG2#) 0.00 0  4.80
!55 ALA
assign (resid 55 and name   HA) (resid 56 and name   HN) 0.00 0  3.60
assign (resid 55 and name   HA) (resid 58 and name   HN) 0.00 0  3.40
assign (resid 55 and name   HA) (resid 58 and name  HG#) 0.00 0  5.68
assign (resid 55 and name  HB#) (resid 58 and name   HN) 0.00 0  7.70
!56 GLY
assign (resid 56 and name   HN) (resid 57 and name   HN) 0.00 0  3.10
assign (resid 56 and name   HN) (resid 57 and name   HB) 0.00 0  4.20
assign (resid 56 and name   HN) (resid 57 and name HG1#) 0.00 0  7.20
assign (resid 56 and name   HN) (resid 57 and name HG2#) 0.00 0  7.20
assign (resid 56 and name   HN) (resid 57 and name  HG#) 0.00 0  6.30
assign (resid 56 and name   HN) (resid 58 and name   HN) 0.00 0  4.60
assign (resid 56 and name   HN) (resid 59 and name  HB#) 0.00 0  6.20
!57 VAL
assign (resid 57 and name   HN) (resid 57 and name HG1#) 0.00 0  4.30
assign (resid 57 and name   HN) (resid 57 and name HG2#) 0.00 0  4.30
assign (resid 57 and name   HN) (resid 57 and name  HG#) 0.00 0  3.90
assign (resid 57 and name   HN) (resid 58 and name   HN) 0.00 0  3.10
assign (resid 57 and name   HA) (resid 58 and name   HN) 0.00 0  3.60
assign (resid 57 and name   HA) (resid 60 and name   HN) 0.00 0  3.60
assign (resid 57 and name   HA) (resid 60 and name HG12) 0.00 0  4.00
assign (resid 57 and name   HA) (resid 60 and name HG11) 0.00 0  4.00
assign (resid 57 and name   HA) (resid 60 and name HG1#) 0.00 0  3.80
assign (resid 57 and name   HA) (resid 60 and name HD1#) 0.00 0  4.10
assign (resid 57 and name HG1#) (resid 58 and name   HN) 0.00 0  5.30
assign (resid 57 and name HG2#) (resid 58 and name   HN) 0.00 0  5.30
assign (resid 57 and name  HG#) (resid 58 and name   HN) 0.00 0  4.86
assign (resid 57 and name  HG#) (resid 58 and name  HG#) 0.00 0  6.34
assign (resid 57 and name  HG#) (resid 60 and name   HN) 0.00 0  8.06
!58 GLU
assign (resid 58 and name   HN) (resid 58 and name  HB2) 0.00 0  3.60
assign (resid 58 and name   HN) (resid 58 and name  HB1) 0.00 0  3.60
assign (resid 58 and name   HN) (resid 58 and name  HG2) 0.00 0  4.00
assign (resid 58 and name   HN) (resid 58 and name  HG1) 0.00 0  4.00
assign (resid 58 and name   HN) (resid 58 and name  HG#) 0.00 0  3.80
assign (resid 58 and name   HN) (resid 59 and name  HB#) 0.00 0  6.20
assign (resid 58 and name   HN) (resid 60 and name HG1#) 0.00 0  6.38
assign (resid 58 and name   HN) (resid 61 and name HD1#) 0.00 0  6.70
assign (resid 58 and name   HA) (resid 58 and name  HG2) 0.00 0  4.00
assign (resid 58 and name   HA) (resid 58 and name  HG1) 0.00 0  4.00
assign (resid 58 and name   HA) (resid 58 and name  HG#) 0.00 0  3.75
assign (resid 58 and name   HA) (resid 59 and name   HN) 0.00 0  3.40
assign (resid 58 and name   HA) (resid 61 and name   HN) 0.00 0  3.40
assign (resid 58 and name   HA) (resid 61 and name   HB) 0.00 0  4.20
assign (resid 58 and name   HA) (resid 61 and name HG2#) 0.00 0  4.10
assign (resid 58 and name   HA) (resid 61 and name HG12) 0.00 0  4.20
assign (resid 58 and name   HA) (resid 61 and name HG11) 0.00 0  4.20
assign (resid 58 and name   HA) (resid 61 and name HD1#) 0.00 0  4.20
assign (resid 58 and name   HA) (resid 62 and name   HN) 0.00 0  3.50
assign (resid 58 and name  HB2) (resid 59 and name   HN) 0.00 0  3.60
assign (resid 58 and name  HB1) (resid 59 and name   HN) 0.00 0  3.60
assign (resid 58 and name  HG#) (resid 61 and name HD1#) 0.00 0  6.78
!59 ALA
assign (resid 59 and name   HN) (resid 60 and name   HN) 0.00 0  3.20
assign (resid 59 and name   HN) (resid 60 and name HG1#) 0.00 0  5.48
assign (resid 59 and name   HN) (resid 60 and name HD1#) 0.00 0  5.40
assign (resid 59 and name   HA) (resid 60 and name   HN) 0.00 0  3.60
assign (resid 59 and name   HA) (resid 62 and name  HD#) 0.00 0  5.20
!60 ILE
assign (resid 60 and name   HN) (resid 60 and name   HB) 0.00 0  3.60
assign (resid 60 and name   HN) (resid 60 and name HG2#) 0.00 0  4.50
assign (resid 60 and name   HN) (resid 60 and name HG12) 0.00 0  3.40
assign (resid 60 and name   HN) (resid 60 and name HG11) 0.00 0  3.40
assign (resid 60 and name   HN) (resid 60 and name HG1#) 0.00 0  3.18
assign (resid 60 and name   HN) (resid 60 and name HD1#) 0.00 0  4.50
assign (resid 60 and name   HN) (resid 61 and name   HN) 0.00 0  3.10
assign (resid 60 and name   HN) (resid 62 and name   HN) 0.00 0  3.70
assign (resid 60 and name   HA) (resid 60 and name HG12) 0.00 0  3.30
assign (resid 60 and name   HA) (resid 60 and name HG11) 0.00 0  3.30
assign (resid 60 and name   HB) (resid 61 and name   HN) 0.00 0  3.60
!61 ILE
assign (resid 61 and name   HN) (resid 61 and name   HB) 0.00 0  4.10
assign (resid 61 and name   HN) (resid 61 and name HG2#) 0.00 0  4.10
assign (resid 61 and name   HN) (resid 61 and name HG1#) 0.00 0  3.98
assign (resid 61 and name   HN) (resid 61 and name HD1#) 0.00 0  4.50
assign (resid 61 and name   HN) (resid 62 and name   HN) 0.00 0  3.10
assign (resid 61 and name   HA) (resid 61 and name HG1#) 0.00 0  3.80
assign (resid 61 and name   HA) (resid 61 and name HD1#) 0.00 0  4.10
assign (resid 61 and name   HA) (resid 62 and name   HN) 0.00 0  3.60
assign (resid 61 and name   HA) (resid 64 and name   HN) 0.00 0  3.30
assign (resid 61 and name   HA) (resid 64 and name  HB#) 0.00 0  4.58
assign (resid 61 and name   HA) (resid 64 and name   HG) 0.00 0  4.20
assign (resid 61 and name   HA) (resid 65 and name  HG#) 0.00 0  7.90
assign (resid 61 and name   HB) (resid 66 and name HE2#) 0.00 0  7.27
assign (resid 61 and name HD1#) (resid 62 and name   HN) 0.00 0  4.60
!62 ARG
assign (resid 62 and name   HN) (resid 62 and name  HB2) 0.00 0  3.60
assign (resid 62 and name   HN) (resid 62 and name  HB1) 0.00 0  3.60
assign (resid 62 and name   HN) (resid 62 and name  HG#) 0.00 0  4.28
assign (resid 62 and name   HN) (resid 62 and name  HD#) 0.00 0  5.50
assign (resid 62 and name   HA) (resid 62 and name  HG#) 0.00 0  3.64
assign (resid 62 and name   HA) (resid 62 and name  HD#) 0.00 0  4.10
assign (resid 62 and name   HA) (resid 62 and name   HE) 0.00 0  4.70
assign (resid 62 and name   HA) (resid 65 and name HE2#) 0.00 0  7.37
assign (resid 62 and name  HB#) (resid 62 and name   HE) 0.00 0  6.08
assign (resid 62 and name  HB#) (resid 65 and name HE2#) 0.00 0  9.14
assign (resid 62 and name  HG2) (resid 62 and name   HE) 0.00 0  3.90
assign (resid 62 and name  HG1) (resid 62 and name   HE) 0.00 0  3.90
!63 ILE
assign (resid 63 and name   HN) (resid 63 and name   HB) 0.00 0  3.60
assign (resid 63 and name   HN) (resid 63 and name HG2#) 0.00 0  4.30
assign (resid 63 and name   HN) (resid 63 and name HG1#) 0.00 0  4.38
assign (resid 63 and name   HN) (resid 64 and name   HN) 0.00 0  3.10
assign (resid 63 and name   HA) (resid 63 and name HG12) 0.00 0  3.40
assign (resid 63 and name   HA) (resid 63 and name HG11) 0.00 0  3.40
assign (resid 63 and name   HA) (resid 63 and name HD1#) 0.00 0  4.10
assign (resid 63 and name   HA) (resid 66 and name   HN) 0.00 0  3.70
assign (resid 63 and name   HA) (resid 66 and name  HB2) 0.00 0  3.60
assign (resid 63 and name   HA) (resid 66 and name  HB1) 0.00 0  3.60
assign (resid 63 and name   HA) (resid 66 and name  HG#) 0.00 0  6.60
assign (resid 63 and name   HA) (resid 66 and name HE21) 0.00 0  6.10
assign (resid 63 and name   HA) (resid 66 and name HE22) 0.00 0  6.10
assign (resid 63 and name   HA) (resid 66 and name HE2#) 0.00 0  5.89
assign (resid 63 and name   HA) (resid 67 and name   HN) 0.00 0  4.00
assign (resid 63 and name   HB) (resid 63 and name HD1#) 0.00 0  3.60
assign (resid 63 and name HG2#) (resid 63 and name HG12) 0.00 0  3.60
assign (resid 63 and name HG2#) (resid 63 and name HG11) 0.00 0  3.60
!64 LEU
assign (resid 64 and name   HN) (resid 64 and name  HB2) 0.00 0  3.60
assign (resid 64 and name   HN) (resid 64 and name  HB1) 0.00 0  3.60
assign (resid 64 and name   HN) (resid 66 and name   HN) 0.00 0  3.40
assign (resid 64 and name   HA) (resid 64 and name   HG) 0.00 0  3.10
assign (resid 64 and name   HA) (resid 66 and name   HN) 0.00 0  3.90
assign (resid 64 and name  HB2) (resid 65 and name  HG#) 0.00 0  8.10
assign (resid 64 and name  HB1) (resid 65 and name  HG#) 0.00 0  8.10
assign (resid 64 and name   HG) (resid 65 and name   HN) 0.00 0  4.00
assign (resid 64 and name   HG) (resid 65 and name  HB#) 0.00 0  5.58
!65 GLN
assign (resid 65 and name   HN) (resid 65 and name  HB2) 0.00 0  3.60
assign (resid 65 and name   HN) (resid 65 and name  HB1) 0.00 0  3.60
assign (resid 65 and name   HN) (resid 65 and name  HG#) 0.00 0  4.80
assign (resid 65 and name   HN) (resid 66 and name   HN) 0.00 0  3.10
assign (resid 65 and name   HA) (resid 65 and name HE2#) 0.00 0  7.87
assign (resid 65 and name   HA) (resid 66 and name   HN) 0.00 0  3.40
assign (resid 65 and name   HA) (resid 67 and name   HN) 0.00 0  3.70
assign (resid 65 and name   HA) (resid 68 and name   HN) 0.00 0  3.30
assign (resid 65 and name   HA) (resid 68 and name  HB2) 0.00 0  3.60
assign (resid 65 and name   HA) (resid 68 and name  HB1) 0.00 0  3.60
assign (resid 65 and name   HA) (resid 68 and name   HG) 0.00 0  3.90
assign (resid 65 and name   HA) (resid 68 and name  HD#) 0.00 0  5.67
assign (resid 65 and name   HA) (resid 69 and name   HN) 0.00 0  3.80
assign (resid 65 and name  HB2) (resid 65 and name HE21) 0.00 0  6.45
assign (resid 65 and name  HB2) (resid 65 and name HE22) 0.00 0  6.45
assign (resid 65 and name  HB1) (resid 65 and name HE21) 0.00 0  6.45
assign (resid 65 and name  HB1) (resid 65 and name HE22) 0.00 0  6.45
assign (resid 65 and name  HG#) (resid 66 and name   HN) 0.00 0  7.10
!66 GLN
assign (resid 66 and name   HN) (resid 66 and name  HB2) 0.00 0  3.60
assign (resid 66 and name   HN) (resid 66 and name  HB1) 0.00 0  3.60
assign (resid 66 and name   HN) (resid 66 and name  HG#) 0.00 0  5.30
assign (resid 66 and name   HN) (resid 67 and name   HN) 0.00 0  3.10
assign (resid 66 and name   HN) (resid 67 and name   HG) 0.00 0  3.80
assign (resid 66 and name   HN) (resid 68 and name   HN) 0.00 0  3.70
assign (resid 66 and name   HN) (resid 68 and name  HB#) 0.00 0  5.48
assign (resid 66 and name   HN) (resid 68 and name   HG) 0.00 0  5.40
assign (resid 66 and name   HN) (resid 69 and name  HB#) 0.00 0  5.60
assign (resid 66 and name   HA) (resid 66 and name HE2#) 0.00 0  8.07
assign (resid 66 and name   HA) (resid 69 and name   HN) 0.00 0  3.50
assign (resid 66 and name   HA) (resid 69 and name  HB#) 0.00 0  4.60
assign (resid 66 and name   HA) (resid 69 and name  HD#) 0.00 0  6.80
assign (resid 66 and name  HB2) (resid 66 and name HE21) 0.00 0  7.65
assign (resid 66 and name  HB2) (resid 66 and name HE22) 0.00 0  7.65
assign (resid 66 and name  HB2) (resid 69 and name  HB#) 0.00 0  6.70
assign (resid 66 and name  HB1) (resid 66 and name HE21) 0.00 0  7.65
assign (resid 66 and name  HB1) (resid 66 and name HE22) 0.00 0  7.65
assign (resid 66 and name  HB1) (resid 69 and name  HB#) 0.00 0  6.70
assign (resid 66 and name  HB#) (resid 69 and name  HB#) 0.00 0  6.54
assign (resid 66 and name  HG#) (resid 67 and name   HN) 0.00 0  6.40
!67 LEU
assign (resid 67 and name   HN) (resid 67 and name  HB2) 0.00 0  3.60
assign (resid 67 and name   HN) (resid 67 and name  HB1) 0.00 0  3.60
assign (resid 67 and name   HN) (resid 67 and name   HG) 0.00 0  3.10
assign (resid 67 and name   HN) (resid 67 and name  HD#) 0.00 0  5.97
assign (resid 67 and name   HN) (resid 68 and name   HN) 0.00 0  3.10
assign (resid 67 and name   HN) (resid 68 and name  HB#) 0.00 0  4.98
assign (resid 67 and name   HN) (resid 69 and name   HN) 0.00 0  4.00
assign (resid 67 and name   HN) (resid 69 and name  HB#) 0.00 0  5.80
assign (resid 67 and name   HA) (resid 68 and name   HN) 0.00 0  3.40
assign (resid 67 and name   HA) (resid 70 and name   HN) 0.00 0  3.40
assign (resid 67 and name   HA) (resid 70 and name HG1#) 0.00 0  4.48
!68 LEU
assign (resid 68 and name   HN) (resid 68 and name  HB2) 0.00 0  3.60
assign (resid 68 and name   HN) (resid 68 and name  HB1) 0.00 0  3.60
assign (resid 68 and name   HN) (resid 68 and name   HG) 0.00 0  3.20
assign (resid 68 and name   HN) (resid 68 and name  HD#) 0.00 0  5.67
assign (resid 68 and name   HN) (resid 69 and name   HN) 0.00 0  3.10
assign (resid 68 and name   HN) (resid 69 and name  HB#) 0.00 0  5.40
assign (resid 68 and name   HN) (resid 70 and name   HN) 0.00 0  3.90
assign (resid 68 and name   HN) (resid 71 and name   HN) 0.00 0  4.30
assign (resid 68 and name   HN) (resid 71 and name  HB#) 0.00 0  5.80
assign (resid 68 and name   HA) (resid 69 and name   HN) 0.00 0  3.60
assign (resid 68 and name   HA) (resid 69 and name   HA) 0.00 0  4.60
assign (resid 68 and name   HA) (resid 69 and name  HB#) 0.00 0  5.90
assign (resid 68 and name   HA) (resid 69 and name  HD#) 0.00 0  8.20
assign (resid 68 and name   HA) (resid 70 and name   HN) 0.00 0  3.90
assign (resid 68 and name   HA) (resid 71 and name   HN) 0.00 0  3.40
assign (resid 68 and name   HA) (resid 72 and name   HN) 0.00 0  3.40
assign (resid 68 and name   HA) (resid 72 and name  HE#) 0.00 0  7.70
assign (resid 68 and name  HB2) (resid 69 and name   HN) 0.00 0  3.70
assign (resid 68 and name  HB2) (resid 69 and name   HA) 0.00 0  4.60
assign (resid 68 and name  HB1) (resid 69 and name   HN) 0.00 0  3.70
assign (resid 68 and name  HB1) (resid 69 and name   HA) 0.00 0  4.60
assign (resid 68 and name  HB#) (resid 69 and name   HA) 0.00 0  4.32
assign (resid 68 and name  HB#) (resid 69 and name  HB#) 0.00 0  6.28
assign (resid 68 and name  HB#) (resid 72 and name  HE#) 0.00 0 10.18
assign (resid 68 and name   HG) (resid 69 and name   HN) 0.00 0  4.60
assign (resid 68 and name   HG) (resid 72 and name  HE#) 0.00 0  7.90
!69 PHE
assign (resid 69 and name   HN) (resid 70 and name   HN) 0.00 0  3.10
assign (resid 69 and name   HN) (resid 70 and name   HA) 0.00 0  5.00
assign (resid 69 and name   HA) (resid 69 and name  HE#) 0.00 0  5.30
assign (resid 69 and name   HA) (resid 70 and name   HN) 0.00 0  3.50
assign (resid 69 and name   HA) (resid 71 and name   HN) 0.00 0  4.20
assign (resid 69 and name   HA) (resid 72 and name   HN) 0.00 0  3.60
assign (resid 69 and name   HA) (resid 72 and name  HB2) 0.00 0  3.70
assign (resid 69 and name   HA) (resid 72 and name  HB1) 0.00 0  3.70
assign (resid 69 and name   HA) (resid 73 and name   HN) 0.00 0  3.50
assign (resid 69 and name  HB#) (resid 70 and name   HA) 0.00 0  5.50
assign (resid 69 and name  HB#) (resid 70 and name HG1#) 0.00 0  8.88
assign (resid 69 and name  HB#) (resid 71 and name   HN) 0.00 0  6.00
assign (resid 69 and name  HB#) (resid 71 and name  HB#) 0.00 0  8.50
assign (resid 69 and name  HB#) (resid 72 and name   HN) 0.00 0  6.30
assign (resid 69 and name  HB#) (resid 73 and name   HN) 0.00 0  5.50
assign (resid 69 and name  HD#) (resid 70 and name   HN) 0.00 0  6.90
assign (resid 69 and name  HD#) (resid 70 and name   HA) 0.00 0  6.80
assign (resid 69 and name  HD#) (resid 70 and name HG2#) 0.00 0  8.30
assign (resid 69 and name  HD#) (resid 70 and name HG12) 0.00 0  6.50
assign (resid 69 and name  HD#) (resid 70 and name HG11) 0.00 0  6.50
assign (resid 69 and name  HD#) (resid 70 and name HG1#) 0.00 0  6.15
assign (resid 69 and name  HD#) (resid 70 and name HD1#) 0.00 0  7.50
assign (resid 69 and name  HD#) (resid 73 and name   HN) 0.00 0  9.40
assign (resid 69 and name  HD#) (resid 73 and name  HB2) 0.00 0  8.40
assign (resid 69 and name  HD#) (resid 73 and name  HB1) 0.00 0  8.40
assign (resid 69 and name  HD#) (resid 73 and name  HG#) 0.00 0  7.70
assign (resid 69 and name  HD#) (resid 73 and name  HD#) 0.00 0  8.10
assign (resid 69 and name  HE#) (resid 73 and name  HG#) 0.00 0  7.70
!70 ILE
assign (resid 70 and name   HN) (resid 70 and name   HB) 0.00 0  3.60
assign (resid 70 and name   HN) (resid 70 and name HG12) 0.00 0  3.40
assign (resid 70 and name   HN) (resid 70 and name HG11) 0.00 0  3.40
assign (resid 70 and name   HN) (resid 70 and name HG1#) 0.00 0  3.13
assign (resid 70 and name   HN) (resid 70 and name HD1#) 0.00 0  4.10
assign (resid 70 and name   HN) (resid 71 and name   HN) 0.00 0  3.10
assign (resid 70 and name   HN) (resid 71 and name  HB#) 0.00 0  5.50
assign (resid 70 and name   HA) (resid 70 and name HG1#) 0.00 0  3.75
assign (resid 70 and name   HA) (resid 70 and name HD1#) 0.00 0  4.40
assign (resid 70 and name   HA) (resid 71 and name   HN) 0.00 0  3.50
assign (resid 70 and name   HA) (resid 71 and name   HA) 0.00 0  4.60
assign (resid 70 and name   HA) (resid 71 and name  HB#) 0.00 0  5.80
assign (resid 70 and name   HA) (resid 72 and name   HN) 0.00 0  4.10
assign (resid 70 and name   HA) (resid 73 and name   HN) 0.00 0  3.70
assign (resid 70 and name   HA) (resid 73 and name  HB2) 0.00 0  3.90
assign (resid 70 and name   HA) (resid 73 and name  HB1) 0.00 0  3.90
assign (resid 70 and name   HA) (resid 73 and name  HG#) 0.00 0  5.80
assign (resid 70 and name   HA) (resid 74 and name   HN) 0.00 0  3.90
assign (resid 70 and name   HB) (resid 71 and name   HN) 0.00 0  3.90
assign (resid 70 and name   HB) (resid 71 and name  HB#) 0.00 0  6.50
assign (resid 70 and name HG12) (resid 71 and name   HN) 0.00 0  4.80
assign (resid 70 and name HG11) (resid 71 and name   HN) 0.00 0  4.80
assign (resid 70 and name HG1#) (resid 71 and name   HN) 0.00 0  4.42
assign (resid 70 and name HG1#) (resid 72 and name   HN) 0.00 0  5.38
assign (resid 70 and name HD1#) (resid 71 and name   HN) 0.00 0  4.70
assign (resid 70 and name HD1#) (resid 71 and name  HB#) 0.00 0  5.90
!71 HIS
assign (resid 71 and name   HN) (resid 71 and name  HD2) 0.00 0  5.00
assign (resid 71 and name   HN) (resid 72 and name  HB#) 0.00 0  5.28
assign (resid 71 and name   HN) (resid 72 and name  HD#) 0.00 0  9.70
assign (resid 71 and name   HN) (resid 73 and name   HN) 0.00 0  4.00
assign (resid 71 and name   HA) (resid 71 and name  HD2) 0.00 0  4.40
assign (resid 71 and name   HA) (resid 72 and name   HN) 0.00 0  3.30
assign (resid 71 and name  HB#) (resid 73 and name  HG#) 0.00 0  9.40
assign (resid 71 and name  HD2) (resid 72 and name   HA) 0.00 0  5.20
assign (resid 71 and name  HD2) (resid 72 and name  HD#) 0.00 0  7.30
!72 PHE
assign (resid 72 and name   HN) (resid 72 and name  HB2) 0.00 0  3.60
assign (resid 72 and name   HN) (resid 72 and name  HB1) 0.00 0  3.60
assign (resid 72 and name   HN) (resid 73 and name   HN) 0.00 0  3.10
assign (resid 72 and name   HN) (resid 73 and name  HG#) 0.00 0  7.40
assign (resid 72 and name   HN) (resid 74 and name   HN) 0.00 0  4.10
assign (resid 72 and name   HA) (resid 73 and name   HN) 0.00 0  3.50
assign (resid 72 and name   HA) (resid 75 and name   HN) 0.00 0  4.00
assign (resid 72 and name  HB2) (resid 73 and name   HN) 0.00 0  3.80
assign (resid 72 and name  HB1) (resid 73 and name   HN) 0.00 0  3.80
assign (resid 72 and name  HD#) (resid 73 and name   HN) 0.00 0  8.10
!73 ARG
assign (resid 73 and name   HN) (resid 73 and name  HB2) 0.00 0  3.60
assign (resid 73 and name   HN) (resid 73 and name  HB1) 0.00 0  3.60
assign (resid 73 and name   HN) (resid 73 and name  HG#) 0.00 0  4.80
assign (resid 73 and name   HN) (resid 73 and name  HD#) 0.00 0  6.90
assign (resid 73 and name   HN) (resid 74 and name   HN) 0.00 0  3.10
assign (resid 73 and name   HA) (resid 73 and name  HG#) 0.00 0  3.90
assign (resid 73 and name   HA) (resid 73 and name  HD#) 0.00 0  4.70
assign (resid 73 and name   HA) (resid 73 and name   HE) 0.00 0  5.00
assign (resid 73 and name  HB2) (resid 73 and name   HE) 0.00 0  5.50
assign (resid 73 and name  HB1) (resid 73 and name   HE) 0.00 0  5.50
!74 ILE
assign (resid 74 and name   HN) (resid 74 and name HG2#) 0.00 0  4.40
assign (resid 74 and name   HN) (resid 74 and name HG12) 0.00 0  3.30
assign (resid 74 and name   HN) (resid 74 and name HG11) 0.00 0  3.30
assign (resid 74 and name   HA) (resid 74 and name HG12) 0.00 0  3.50
assign (resid 74 and name   HA) (resid 74 and name HG11) 0.00 0  3.50
assign (resid 74 and name   HA) (resid 74 and name HG1#) 0.00 0  3.29
assign (resid 74 and name   HA) (resid 74 and name HD1#) 0.00 0  4.80
assign (resid 74 and name   HB) (resid 75 and name   HN) 0.00 0  3.60
assign (resid 74 and name HG2#) (resid 75 and name   HN) 0.00 0  4.80
assign (resid 74 and name HG12) (resid 75 and name   HN) 0.00 0  4.90
assign (resid 74 and name HG11) (resid 75 and name   HN) 0.00 0  4.90
assign (resid 74 and name HG1#) (resid 75 and name   HN) 0.00 0  4.53
!75 GLY
assign (resid 75 and name   HN) (resid 75 and name   H1) 0 -1.78 4.10
assign (resid 75 and name   HN) (resid 75 and name   H2) 0 -1.78 4.65


restraints dihedral

      assign (resid 52 and name c) (resid 53 and name n)
             (resid 53 and name ca) (resid 53 and name c)  1  -60.0   30.0  2
      assign (resid 53 and name c) (resid 54 and name n)
             (resid 54 and name ca) (resid 54 and name c)  1  -60.0   40.0  2
      assign (resid 54 and name c) (resid 55 and name n)
             (resid 55 and name ca) (resid 55 and name c)  1  -60.0   30.0  2
      assign (resid 56 and name c) (resid 57 and name n)
             (resid 57 and name ca) (resid 57 and name c)  1  -60.0   40.0  2
      assign (resid 58 and name c) (resid 59 and name n)
             (resid 59 and name ca) (resid 59 and name c)  1  -60.0   30.0  2
      assign (resid 59 and name c) (resid 60 and name n)
             (resid 60 and name ca) (resid 60 and name c)  1  -60.0   30.0  2
      assign (resid 63 and name c) (resid 64 and name n)
             (resid 64 and name ca) (resid 64 and name c)  1  -60.0   40.0  2
      assign (resid 64 and name c) (resid 65 and name n)
             (resid 65 and name ca) (resid 65 and name c)  1  -60.0   40.0  2
      assign (resid 65 and name c) (resid 66 and name n)
             (resid 66 and name ca) (resid 66 and name c)  1  -60.0   40.0  2
      assign (resid 66 and name c) (resid 67 and name n)
             (resid 67 and name ca) (resid 67 and name c)  1  -60.0   30.0  2
      assign (resid 67 and name c) (resid 68 and name n)
             (resid 68 and name ca) (resid 68 and name c)  1  -60.0   40.0  2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ACE  50A         1HA       ACE  50A  5.888   4.611   6.051
    2   2H    ACE  50A         2HA       ACE  50A  6.644   3.327   5.099
    3   3H    ACE  50A         3HA       ACE  50A  5.683   2.923   6.521
    4    H    TYR  50           H        TYR  50   5.110   5.095   3.780
    5    HA   TYR  50           HA       TYR  50   2.334   4.244   3.558
    6   1HB   TYR  50          2HB       TYR  50   3.223   6.611   2.937
    7   2HB   TYR  50          1HB       TYR  50   3.937   5.874   1.510
    8    HD1  TYR  50           HD1      TYR  50   0.702   6.423   3.277
    9    HD2  TYR  50           HD2      TYR  50   2.561   5.337  -0.401
   10    HE1  TYR  50           HE1      TYR  50  -1.461   6.551   2.139
   11    HE2  TYR  50           HE2      TYR  50   0.389   5.473  -1.528
   12    HH   TYR  50           HH       TYR  50  -2.021   6.999  -0.710
   13    H    GLY  51           H        GLY  51   3.043   2.041   3.456
   14   1HA   GLY  51          2HA       GLY  51   2.444   0.648   1.194
   15   2HA   GLY  51          1HA       GLY  51   4.155   0.971   0.958
   16    H    ASP  52           H        ASP  52   2.987   0.465   4.226
   17    HA   ASP  52           HA       ASP  52   4.416  -2.157   4.233
   18   1HB   ASP  52          2HB       ASP  52   5.419  -0.469   5.693
   19   2HB   ASP  52          1HB       ASP  52   3.871  -0.175   6.472
   20    H    THR  53           H        THR  53   1.267  -0.790   4.564
   21    HA   THR  53           HA       THR  53   0.306  -2.817   6.349
   22    HB   THR  53           HB       THR  53  -0.949  -0.566   6.111
   23    HG1  THR  53           HG1      THR  53  -2.132  -3.065   5.717
   24   1HG2  THR  53          1HG2      THR  53  -0.636  -0.345   3.562
   25   2HG2  THR  53          3HG2      THR  53  -1.752  -1.689   3.367
   26   3HG2  THR  53          2HG2      THR  53  -2.305  -0.191   4.083
   27    H    TRP  54           H        TRP  54   1.282  -2.868   3.346
   28    HA   TRP  54           HA       TRP  54  -0.598  -4.629   2.247
   29   1HB   TRP  54          2HB       TRP  54   2.388  -4.215   1.610
   30   2HB   TRP  54          1HB       TRP  54   1.375  -5.280   0.642
   31    HD1  TRP  54           HD1      TRP  54   1.962  -1.587   1.331
   32    HE1  TRP  54           HE1      TRP  54   0.546  -0.175  -0.212
   33    HE3  TRP  54           HE3      TRP  54  -0.879  -5.262  -0.614
   34    HZ2  TRP  54           HZ2      TRP  54  -1.482  -0.551  -1.985
   35    HZ3  TRP  54           HZ3      TRP  54  -2.603  -4.679  -2.281
   36    HH2  TRP  54           HH2      TRP  54  -2.907  -2.319  -2.971
   37    H    ALA  55           H        ALA  55   1.748  -5.004   4.617
   38    HA   ALA  55           HA       ALA  55   2.343  -7.802   4.338
   39   1HB   ALA  55          3HB       ALA  55   2.064  -6.135   6.908
   40   2HB   ALA  55          2HB       ALA  55   2.886  -7.683   6.801
   41   3HB   ALA  55          1HB       ALA  55   3.540  -6.281   5.970
   42    H    GLY  56           H        GLY  56  -0.426  -6.114   5.482
   43   1HA   GLY  56          2HA       GLY  56  -1.707  -8.387   6.798
   44   2HA   GLY  56          1HA       GLY  56  -2.518  -6.879   6.318
   45    H    VAL  57           H        VAL  57  -2.062  -6.677   3.749
   46    HA   VAL  57           HA       VAL  57  -3.946  -8.291   2.487
   47    HB   VAL  57           HB       VAL  57  -1.505  -6.801   1.431
   48   1HG1  VAL  57          2HG1      VAL  57  -4.009  -7.711  -0.072
   49   2HG1  VAL  57          1HG1      VAL  57  -2.742  -6.708  -0.761
   50   3HG1  VAL  57          3HG1      VAL  57  -2.392  -8.361  -0.303
   51   1HG2  VAL  57          3HG2      VAL  57  -3.089  -5.351   2.689
   52   2HG2  VAL  57          2HG2      VAL  57  -3.117  -4.948   0.986
   53   3HG2  VAL  57          1HG2      VAL  57  -4.410  -5.908   1.682
   54    H    GLU  58           H        GLU  58  -0.468  -8.621   2.555
   55    HA   GLU  58           HA       GLU  58  -0.266 -10.951   0.935
   56   1HB   GLU  58          2HB       GLU  58   1.385  -9.799   3.245
   57   2HB   GLU  58          1HB       GLU  58   1.877 -11.295   2.510
   58   1HG   GLU  58          2HG       GLU  58   1.402  -8.768   0.853
   59   2HG   GLU  58          1HG       GLU  58   2.931  -9.035   1.665
   60    H    ALA  59           H        ALA  59  -1.280 -10.641   4.194
   61    HA   ALA  59           HA       ALA  59  -0.888 -13.487   4.767
   62   1HB   ALA  59          3HB       ALA  59  -1.065 -11.742   6.590
   63   2HB   ALA  59          2HB       ALA  59  -2.718 -11.414   6.113
   64   3HB   ALA  59          1HB       ALA  59  -2.305 -12.976   6.800
   65    H    ILE  60           H        ILE  60  -3.279 -11.553   3.325
   66    HA   ILE  60           HA       ILE  60  -5.359 -13.627   3.364
   67    HB   ILE  60           HB       ILE  60  -5.328 -11.205   1.493
   68   1HG1  ILE  60          2HG1      ILE  60  -6.088 -11.075   4.466
   69   2HG1  ILE  60          1HG1      ILE  60  -4.589 -10.457   3.844
   70   1HG2  ILE  60          2HG2      ILE  60  -7.229 -12.828   1.391
   71   2HG2  ILE  60          1HG2      ILE  60  -7.546 -12.578   3.099
   72   3HG2  ILE  60          3HG2      ILE  60  -7.786 -11.269   1.956
   73   1HD1  ILE  60          1HD1      ILE  60  -5.801  -8.945   2.340
   74   2HD1  ILE  60          3HD1      ILE  60  -7.313  -9.478   3.051
   75   3HD1  ILE  60          2HD1      ILE  60  -6.111  -8.673   4.049
   76    H    ILE  61           H        ILE  61  -3.339 -12.130   0.859
   77    HA   ILE  61           HA       ILE  61  -4.092 -13.863  -1.289
   78    HB   ILE  61           HB       ILE  61  -2.153 -12.978  -2.394
   79   1HG1  ILE  61          2HG1      ILE  61  -0.549 -11.583  -1.039
   80   2HG1  ILE  61          1HG1      ILE  61  -1.061 -12.637   0.278
   81   1HG2  ILE  61          3HG2      ILE  61  -3.941 -11.379  -2.081
   82   2HG2  ILE  61          2HG2      ILE  61  -3.251 -10.850  -0.561
   83   3HG2  ILE  61          1HG2      ILE  61  -2.381 -10.588  -2.056
   84   1HD1  ILE  61          2HD1      ILE  61  -0.503 -14.643  -1.180
   85   2HD1  ILE  61          1HD1      ILE  61  -0.033 -13.525  -2.430
   86   3HD1  ILE  61          3HD1      ILE  61   0.864 -13.593  -0.910
   87    H    ARG  62           H        ARG  62  -1.665 -14.175   1.286
   88    HA   ARG  62           HA       ARG  62  -0.369 -16.473   0.429
   89   1HB   ARG  62          2HB       ARG  62  -1.106 -15.414   3.162
   90   2HB   ARG  62          1HB       ARG  62  -0.388 -17.001   3.080
   91   1HG   ARG  62          2HG       ARG  62   1.015 -14.877   1.490
   92   2HG   ARG  62          1HG       ARG  62   1.064 -14.682   3.231
   93   1HD   ARG  62          2HD       ARG  62   3.008 -15.967   2.426
   94   2HD   ARG  62          1HD       ARG  62   2.015 -16.937   3.502
   95    HE   ARG  62           HE       ARG  62   1.161 -17.445   0.830
   96   1HH1  ARG  62          2HH1      ARG  62   4.267 -17.174   1.028
   97   2HH1  ARG  62          1HH1      ARG  62   4.728 -18.840   1.106
   98   1HH2  ARG  62          1HH2      ARG  62   1.424 -19.866   1.770
   99   2HH2  ARG  62          2HH2      ARG  62   3.038 -20.426   1.533
  100    H    ILE  63           H        ILE  63  -3.655 -16.329   1.646
  101    HA   ILE  63           HA       ILE  63  -3.852 -19.342   1.267
  102    HB   ILE  63           HB       ILE  63  -3.804 -18.584   3.639
  103   1HG1  ILE  63          2HG1      ILE  63  -6.665 -19.320   3.079
  104   2HG1  ILE  63          1HG1      ILE  63  -5.389 -20.386   2.558
  105   1HG2  ILE  63          2HG2      ILE  63  -6.303 -17.023   2.913
  106   2HG2  ILE  63          1HG2      ILE  63  -5.682 -17.255   4.543
  107   3HG2  ILE  63          3HG2      ILE  63  -4.754 -16.323   3.375
  108   1HD1  ILE  63          3HD1      ILE  63  -5.729 -19.358   5.395
  109   2HD1  ILE  63          2HD1      ILE  63  -6.151 -20.975   4.826
  110   3HD1  ILE  63          1HD1      ILE  63  -4.469 -20.460   4.836
  111    H    LEU  64           H        LEU  64  -4.492 -16.682  -0.241
  112    HA   LEU  64           HA       LEU  64  -7.329 -17.016  -0.802
  113   1HB   LEU  64          2HB       LEU  64  -6.092 -14.816  -0.884
  114   2HB   LEU  64          1HB       LEU  64  -5.114 -15.420  -2.202
  115    HG   LEU  64           HG       LEU  64  -7.235 -15.614  -3.569
  116   1HD1  LEU  64          3HD1      LEU  64  -8.438 -14.052  -1.225
  117   2HD1  LEU  64          2HD1      LEU  64  -9.252 -14.366  -2.746
  118   3HD1  LEU  64          1HD1      LEU  64  -8.885 -15.693  -1.667
  119   1HD2  LEU  64          2HD2      LEU  64  -6.583 -12.843  -2.530
  120   2HD2  LEU  64          1HD2      LEU  64  -5.786 -13.660  -3.868
  121   3HD2  LEU  64          3HD2      LEU  64  -7.460 -13.196  -4.005
  122    H    GLN  65           H        GLN  65  -5.431 -16.716  -3.699
  123    HA   GLN  65           HA       GLN  65  -6.705 -18.971  -4.766
  124   1HB   GLN  65          2HB       GLN  65  -4.912 -18.843  -6.600
  125   2HB   GLN  65          1HB       GLN  65  -5.840 -17.395  -6.361
  126   1HG   GLN  65          2HG       GLN  65  -3.176 -17.721  -4.919
  127   2HG   GLN  65          1HG       GLN  65  -3.212 -17.247  -6.610
  128   1HE2  GLN  65          2HE2      GLN  65  -3.951 -14.444  -3.950
  129   2HE2  GLN  65          1HE2      GLN  65  -3.204 -15.915  -3.540
  130    H    GLN  66           H        GLN  66  -4.562 -19.341  -2.381
  131    HA   GLN  66           HA       GLN  66  -2.971 -21.504  -3.571
  132   1HB   GLN  66          2HB       GLN  66  -3.427 -20.474  -0.731
  133   2HB   GLN  66          1HB       GLN  66  -2.849 -22.090  -0.880
  134   1HG   GLN  66          2HG       GLN  66  -0.907 -20.668  -0.606
  135   2HG   GLN  66          1HG       GLN  66  -0.873 -21.260  -2.253
  136   1HE2  GLN  66          2HE2      GLN  66  -2.092 -17.384  -1.913
  137   2HE2  GLN  66          1HE2      GLN  66  -2.802 -18.570  -0.932
  138    H    LEU  67           H        LEU  67  -5.914 -21.100  -1.807
  139    HA   LEU  67           HA       LEU  67  -6.490 -23.973  -1.614
  140   1HB   LEU  67          2HB       LEU  67  -8.357 -21.596  -1.242
  141   2HB   LEU  67          1HB       LEU  67  -8.631 -23.232  -0.695
  142    HG   LEU  67           HG       LEU  67  -6.445 -21.349   0.283
  143   1HD1  LEU  67          1HD1      LEU  67  -8.920 -22.518   1.671
  144   2HD1  LEU  67          3HD1      LEU  67  -7.711 -21.506   2.438
  145   3HD1  LEU  67          2HD1      LEU  67  -8.709 -20.848   1.165
  146   1HD2  LEU  67          2HD2      LEU  67  -7.070 -24.222   1.163
  147   2HD2  LEU  67          1HD2      LEU  67  -5.619 -23.726   0.309
  148   3HD2  LEU  67          3HD2      LEU  67  -5.908 -23.162   1.936
  149    H    LEU  68           H        LEU  68  -7.190 -21.395  -3.694
  150    HA   LEU  68           HA       LEU  68  -9.180 -22.879  -5.220
  151   1HB   LEU  68          2HB       LEU  68  -7.591 -20.329  -5.754
  152   2HB   LEU  68          1HB       LEU  68  -8.930 -20.803  -6.759
  153    HG   LEU  68           HG       LEU  68  -9.218 -20.216  -3.752
  154   1HD1  LEU  68          2HD1      LEU  68  -9.945 -18.423  -6.131
  155   2HD1  LEU  68          1HD1      LEU  68 -10.299 -18.089  -4.448
  156   3HD1  LEU  68          3HD1      LEU  68  -8.641 -18.102  -5.001
  157   1HD2  LEU  68          2HD2      LEU  68 -11.302 -20.547  -5.969
  158   2HD2  LEU  68          1HD2      LEU  68 -10.967 -21.734  -4.724
  159   3HD2  LEU  68          3HD2      LEU  68 -11.647 -20.182  -4.288
  160    H    PHE  69           H        PHE  69  -5.796 -22.209  -5.551
  161    HA   PHE  69           HA       PHE  69  -5.659 -23.380  -8.156
  162   1HB   PHE  69          2HB       PHE  69  -3.663 -22.078  -7.538
  163   2HB   PHE  69          1HB       PHE  69  -3.696 -22.681  -5.897
  164    HD1  PHE  69           HD2      PHE  69  -3.178 -23.980  -9.372
  165    HD2  PHE  69           HD1      PHE  69  -2.154 -24.265  -5.254
  166    HE1  PHE  69           HE2      PHE  69  -1.476 -25.664  -9.909
  167    HE2  PHE  69           HE1      PHE  69  -0.450 -25.952  -5.789
  168    HZ   PHE  69           HZ       PHE  69  -0.105 -26.656  -8.119
  169    H    ILE  70           H        ILE  70  -5.585 -24.593  -4.851
  170    HA   ILE  70           HA       ILE  70  -4.938 -27.205  -5.981
  171    HB   ILE  70           HB       ILE  70  -5.247 -28.040  -3.679
  172   1HG1  ILE  70          2HG1      ILE  70  -5.264 -25.991  -1.978
  173   2HG1  ILE  70          1HG1      ILE  70  -6.155 -25.255  -3.283
  174   1HG2  ILE  70          3HG2      ILE  70  -3.041 -27.239  -4.457
  175   2HG2  ILE  70          2HG2      ILE  70  -3.448 -25.604  -3.964
  176   3HG2  ILE  70          1HG2      ILE  70  -3.251 -26.861  -2.757
  177   1HD1  ILE  70          3HD1      ILE  70  -6.867 -27.877  -1.981
  178   2HD1  ILE  70          2HD1      ILE  70  -7.666 -26.333  -1.681
  179   3HD1  ILE  70          1HD1      ILE  70  -7.797 -27.099  -3.245
  180    H    HIS  71           H        HIS  71  -7.768 -25.454  -5.144
  181    HA   HIS  71           HA       HIS  71  -9.460 -27.802  -5.184
  182   1HB   HIS  71          2HB       HIS  71 -10.088 -25.566  -4.118
  183   2HB   HIS  71          1HB       HIS  71 -10.226 -24.890  -5.735
  184    HD1  HIS  71           HD1      HIS  71 -12.197 -26.597  -3.256
  185    HD2  HIS  71           HD2      HIS  71 -12.138 -26.361  -7.407
  186    HE1  HIS  71           HE1      HIS  71 -14.395 -27.391  -4.152
  187    H    PHE  72           H        PHE  72  -8.408 -25.476  -7.343
  188    HA   PHE  72           HA       PHE  72  -9.921 -26.439  -9.690
  189   1HB   PHE  72          2HB       PHE  72  -8.047 -24.157  -9.162
  190   2HB   PHE  72          1HB       PHE  72  -8.038 -24.686 -10.782
  191    HD1  PHE  72           HD1      PHE  72 -10.626 -24.206  -8.073
  192    HD2  PHE  72           HD2      PHE  72  -9.581 -23.491 -12.139
  193    HE1  PHE  72           HE1      PHE  72 -12.736 -23.001  -8.404
  194    HE2  PHE  72           HE2      PHE  72 -11.692 -22.285 -12.462
  195    HZ   PHE  72           HZ       PHE  72 -13.275 -22.036 -10.605
  196    H    ARG  73           H        ARG  73  -6.525 -26.472  -8.816
  197    HA   ARG  73           HA       ARG  73  -5.560 -27.771 -11.148
  198   1HB   ARG  73          2HB       ARG  73  -4.128 -26.729  -9.344
  199   2HB   ARG  73          1HB       ARG  73  -4.517 -28.072  -8.281
  200   1HG   ARG  73          2HG       ARG  73  -2.346 -28.410  -9.258
  201   2HG   ARG  73          1HG       ARG  73  -3.438 -29.592  -9.959
  202   1HD   ARG  73          2HD       ARG  73  -3.634 -28.300 -12.026
  203   2HD   ARG  73          1HD       ARG  73  -2.814 -26.913 -11.312
  204    HE   ARG  73           HE       ARG  73  -0.973 -28.958 -11.078
  205   1HH1  ARG  73          2HH1      ARG  73  -1.414 -30.467 -13.247
  206   2HH1  ARG  73          1HH1      ARG  73  -0.886 -29.596 -14.643
  207   1HH2  ARG  73          1HH2      ARG  73  -0.945 -26.516 -12.955
  208   2HH2  ARG  73          2HH2      ARG  73  -0.618 -27.273 -14.476
  209    H    ILE  74           H        ILE  74  -6.906 -29.042  -8.146
  210    HA   ILE  74           HA       ILE  74  -6.689 -31.803  -9.132
  211    HB   ILE  74           HB       ILE  74  -8.056 -30.675  -6.611
  212   1HG1  ILE  74          2HG1      ILE  74  -5.194 -31.679  -7.057
  213   2HG1  ILE  74          1HG1      ILE  74  -5.636 -30.030  -6.716
  214   1HG2  ILE  74          1HG2      ILE  74  -8.708 -32.993  -7.274
  215   2HG2  ILE  74          3HG2      ILE  74  -7.015 -33.462  -7.298
  216   3HG2  ILE  74          2HG2      ILE  74  -7.788 -33.002  -5.786
  217   1HD1  ILE  74          2HD1      ILE  74  -6.544 -30.659  -4.507
  218   2HD1  ILE  74          1HD1      ILE  74  -6.061 -32.330  -4.771
  219   3HD1  ILE  74          3HD1      ILE  74  -4.846 -31.074  -4.650
  220    H    GLY  75           H        GLY  75  -9.329 -29.601  -8.105
  221   1HA   GLY  75          2HA       GLY  75 -11.361 -31.196  -9.469
  222   2HA   GLY  75          1HA       GLY  75 -11.603 -29.644  -8.656
  223   1HN   NH2  76          1HT       GLY  75  -9.612 -30.690 -11.470
  224   2HN   NH2  76          2HT       GLY  75 -10.178 -29.445 -12.489
   
  No H/Q in entry =         224
  Start of MODEL    2
    1   1H    ACE  50A         1HA       ACE  50A  5.222   4.134  10.825
    2   2H    ACE  50A         2HA       ACE  50A  5.407   5.130   9.376
    3   3H    ACE  50A         3HA       ACE  50A  6.343   3.646   9.556
    4    H    TYR  50           H        TYR  50   3.269   4.976   8.727
    5    HA   TYR  50           HA       TYR  50   1.731   2.573   8.609
    6   1HB   TYR  50          2HB       TYR  50   1.428   5.303   7.292
    7   2HB   TYR  50          1HB       TYR  50   0.260   4.032   7.022
    8    HD1  TYR  50           HD2      TYR  50   1.816   6.125   9.695
    9    HD2  TYR  50           HD1      TYR  50  -1.341   3.441   8.696
   10    HE1  TYR  50           HE2      TYR  50   0.697   6.641  11.807
   11    HE2  TYR  50           HE1      TYR  50  -2.451   3.973  10.817
   12    HH   TYR  50           HH       TYR  50  -2.097   6.433  12.499
   13    H    GLY  51           H        GLY  51   4.309   2.274   7.124
   14   1HA   GLY  51          2HA       GLY  51   3.280   1.677   4.367
   15   2HA   GLY  51          1HA       GLY  51   4.981   1.846   4.801
   16    H    ASP  52           H        ASP  52   2.960   0.179   6.960
   17    HA   ASP  52           HA       ASP  52   4.041  -2.476   6.060
   18   1HB   ASP  52          2HB       ASP  52   4.244  -3.106   8.413
   19   2HB   ASP  52          1HB       ASP  52   5.060  -1.567   8.203
   20    H    THR  53           H        THR  53   1.507  -1.418   5.179
   21    HA   THR  53           HA       THR  53  -0.508  -2.875   6.717
   22    HB   THR  53           HB       THR  53  -2.022  -1.593   4.977
   23    HG1  THR  53           HG1      THR  53  -0.830  -0.954   3.322
   24   1HG2  THR  53          3HG2      THR  53  -1.223  -0.350   7.154
   25   2HG2  THR  53          2HG2      THR  53   0.163   0.207   6.235
   26   3HG2  THR  53          1HG2      THR  53  -1.447   0.710   5.772
   27    H    TRP  54           H        TRP  54   0.633  -2.701   3.716
   28    HA   TRP  54           HA       TRP  54  -0.858  -4.685   2.516
   29   1HB   TRP  54          2HB       TRP  54   2.047  -3.880   1.910
   30   2HB   TRP  54          1HB       TRP  54   1.063  -4.833   0.799
   31    HD1  TRP  54           HD1      TRP  54   1.507  -1.212   1.970
   32    HE1  TRP  54           HE1      TRP  54  -0.133   0.276   0.796
   33    HE3  TRP  54           HE3      TRP  54  -1.345  -4.804  -0.128
   34    HZ2  TRP  54           HZ2      TRP  54  -2.363  -0.012  -0.807
   35    HZ3  TRP  54           HZ3      TRP  54  -3.277  -4.144  -1.513
   36    HH2  TRP  54           HH2      TRP  54  -3.788  -1.741  -1.851
   37    H    ALA  55           H        ALA  55   1.446  -5.172   4.861
   38    HA   ALA  55           HA       ALA  55   2.306  -7.851   4.128
   39   1HB   ALA  55          2HB       ALA  55   3.544  -6.451   5.830
   40   2HB   ALA  55          1HB       ALA  55   2.149  -6.537   6.899
   41   3HB   ALA  55          3HB       ALA  55   3.053  -7.990   6.514
   42    H    GLY  56           H        GLY  56  -0.355  -6.483   5.873
   43   1HA   GLY  56          2HA       GLY  56  -1.421  -9.005   6.888
   44   2HA   GLY  56          1HA       GLY  56  -2.312  -7.466   6.806
   45    H    VAL  57           H        VAL  57  -2.034  -6.824   4.232
   46    HA   VAL  57           HA       VAL  57  -4.098  -8.180   2.929
   47    HB   VAL  57           HB       VAL  57  -1.723  -6.593   1.851
   48   1HG1  VAL  57          3HG1      VAL  57  -4.419  -7.175   0.539
   49   2HG1  VAL  57          2HG1      VAL  57  -3.181  -6.127  -0.132
   50   3HG1  VAL  57          1HG1      VAL  57  -2.876  -7.848   0.030
   51   1HG2  VAL  57          2HG2      VAL  57  -4.552  -5.667   2.571
   52   2HG2  VAL  57          1HG2      VAL  57  -3.106  -5.295   3.489
   53   3HG2  VAL  57          3HG2      VAL  57  -3.311  -4.637   1.881
   54    H    GLU  58           H        GLU  58  -0.567  -8.633   2.455
   55    HA   GLU  58           HA       GLU  58  -0.925 -10.729   0.569
   56   1HB   GLU  58          2HB       GLU  58   1.302  -9.944   2.427
   57   2HB   GLU  58          1HB       GLU  58   1.394 -11.517   1.679
   58   1HG   GLU  58          2HG       GLU  58   0.783  -9.957  -0.528
   59   2HG   GLU  58          1HG       GLU  58   1.603  -8.771   0.472
   60    H    ALA  59           H        ALA  59  -1.367 -10.821   3.951
   61    HA   ALA  59           HA       ALA  59  -0.888 -13.669   4.266
   62   1HB   ALA  59          2HB       ALA  59  -1.133 -12.073   6.240
   63   2HB   ALA  59          1HB       ALA  59  -2.827 -11.862   5.833
   64   3HB   ALA  59          3HB       ALA  59  -2.249 -13.429   6.369
   65    H    ILE  60           H        ILE  60  -3.372 -11.722   3.024
   66    HA   ILE  60           HA       ILE  60  -5.397 -13.832   2.916
   67    HB   ILE  60           HB       ILE  60  -5.421 -11.271   1.235
   68   1HG1  ILE  60          2HG1      ILE  60  -6.231 -11.356   4.198
   69   2HG1  ILE  60          1HG1      ILE  60  -4.704 -10.707   3.676
   70   1HG2  ILE  60          2HG2      ILE  60  -7.301 -12.923   1.016
   71   2HG2  ILE  60          1HG2      ILE  60  -7.606 -12.802   2.740
   72   3HG2  ILE  60          3HG2      ILE  60  -7.873 -11.415   1.704
   73   1HD1  ILE  60          2HD1      ILE  60  -5.830  -9.085   2.230
   74   2HD1  ILE  60          1HD1      ILE  60  -7.388  -9.650   2.811
   75   3HD1  ILE  60          3HD1      ILE  60  -6.250  -8.919   3.930
   76    H    ILE  61           H        ILE  61  -3.436 -12.117   0.473
   77    HA   ILE  61           HA       ILE  61  -4.172 -13.766  -1.755
   78    HB   ILE  61           HB       ILE  61  -2.437 -12.688  -2.905
   79   1HG1  ILE  61          2HG1      ILE  61  -0.766 -11.266  -1.492
   80   2HG1  ILE  61          1HG1      ILE  61  -1.139 -12.482  -0.271
   81   1HG2  ILE  61          1HG2      ILE  61  -4.247 -11.173  -2.271
   82   2HG2  ILE  61          3HG2      ILE  61  -3.422 -10.738  -0.787
   83   3HG2  ILE  61          2HG2      ILE  61  -2.723 -10.319  -2.335
   84   1HD1  ILE  61          3HD1      ILE  61  -0.532 -14.283  -1.831
   85   2HD1  ILE  61          2HD1      ILE  61  -0.223 -13.074  -3.056
   86   3HD1  ILE  61          1HD1      ILE  61   0.770 -13.135  -1.592
   87    H    ARG  62           H        ARG  62  -1.714 -14.146   0.766
   88    HA   ARG  62           HA       ARG  62  -0.388 -16.349  -0.436
   89   1HB   ARG  62          2HB       ARG  62  -0.627 -15.424   2.409
   90   2HB   ARG  62          1HB       ARG  62   0.158 -16.950   2.046
   91   1HG   ARG  62          2HG       ARG  62   1.470 -15.528   0.205
   92   2HG   ARG  62          1HG       ARG  62   1.008 -14.157   1.180
   93   1HD   ARG  62          2HD       ARG  62   2.576 -16.584   2.103
   94   2HD   ARG  62          1HD       ARG  62   3.192 -14.944   1.896
   95    HE   ARG  62           HE       ARG  62   1.152 -14.581   3.675
   96   1HH1  ARG  62          1HH2      ARG  62   0.941 -16.790   5.137
   97   2HH1  ARG  62          2HH2      ARG  62   2.358 -16.991   6.106
   98   1HH2  ARG  62          2HH1      ARG  62   4.237 -14.775   4.153
   99   2HH2  ARG  62          1HH1      ARG  62   4.287 -15.809   5.536
  100    H    ILE  63           H        ILE  63  -3.536 -16.250   0.969
  101    HA   ILE  63           HA       ILE  63  -3.568 -19.267   1.116
  102    HB   ILE  63           HB       ILE  63  -3.947 -18.217   3.251
  103   1HG1  ILE  63          2HG1      ILE  63  -6.703 -19.040   2.432
  104   2HG1  ILE  63          1HG1      ILE  63  -5.407 -20.178   2.183
  105   1HG2  ILE  63          3HG2      ILE  63  -6.290 -16.797   1.951
  106   2HG2  ILE  63          2HG2      ILE  63  -5.947 -16.847   3.675
  107   3HG2  ILE  63          1HG2      ILE  63  -4.825 -16.051   2.595
  108   1HD1  ILE  63          2HD1      ILE  63  -6.068 -18.797   4.826
  109   2HD1  ILE  63          1HD1      ILE  63  -6.442 -20.471   4.423
  110   3HD1  ILE  63          3HD1      ILE  63  -4.770 -19.963   4.575
  111    H    LEU  64           H        LEU  64  -4.848 -16.466  -0.265
  112    HA   LEU  64           HA       LEU  64  -7.342 -17.081  -1.313
  113   1HB   LEU  64          2HB       LEU  64  -6.166 -14.829  -1.255
  114   2HB   LEU  64          1HB       LEU  64  -5.129 -15.380  -2.548
  115    HG   LEU  64           HG       LEU  64  -7.219 -15.655  -3.979
  116   1HD1  LEU  64          1HD1      LEU  64  -8.874 -15.704  -2.067
  117   2HD1  LEU  64          3HD1      LEU  64  -8.459 -14.043  -1.681
  118   3HD1  LEU  64          2HD1      LEU  64  -9.242 -14.429  -3.203
  119   1HD2  LEU  64          3HD2      LEU  64  -6.579 -12.876  -2.903
  120   2HD2  LEU  64          2HD2      LEU  64  -5.702 -13.700  -4.179
  121   3HD2  LEU  64          1HD2      LEU  64  -7.370 -13.219  -4.433
  122    H    GLN  65           H        GLN  65  -4.538 -16.879  -3.562
  123    HA   GLN  65           HA       GLN  65  -5.919 -18.904  -5.112
  124   1HB   GLN  65          2HB       GLN  65  -3.720 -18.840  -6.505
  125   2HB   GLN  65          1HB       GLN  65  -4.596 -17.333  -6.450
  126   1HG   GLN  65          2HG       GLN  65  -2.579 -17.699  -4.258
  127   2HG   GLN  65          1HG       GLN  65  -1.895 -17.589  -5.865
  128   1HE2  GLN  65          2HE2      GLN  65  -2.649 -14.152  -6.136
  129   2HE2  GLN  65          1HE2      GLN  65  -1.988 -15.519  -6.909
  130    H    GLN  66           H        GLN  66  -4.226 -19.188  -2.379
  131    HA   GLN  66           HA       GLN  66  -2.769 -21.624  -3.220
  132   1HB   GLN  66          2HB       GLN  66  -3.110 -20.117  -0.652
  133   2HB   GLN  66          1HB       GLN  66  -2.789 -21.830  -0.484
  134   1HG   GLN  66          2HG       GLN  66  -0.675 -20.536  -0.484
  135   2HG   GLN  66          1HG       GLN  66  -0.732 -21.566  -1.897
  136   1HE2  GLN  66          2HE2      GLN  66  -0.249 -17.662  -2.447
  137   2HE2  GLN  66          1HE2      GLN  66  -0.110 -18.415  -0.920
  138    H    LEU  67           H        LEU  67  -5.845 -20.796  -1.821
  139    HA   LEU  67           HA       LEU  67  -6.466 -23.670  -1.390
  140   1HB   LEU  67          2HB       LEU  67  -8.484 -22.820  -0.317
  141   2HB   LEU  67          1HB       LEU  67  -7.143 -21.882   0.265
  142    HG   LEU  67           HG       LEU  67  -7.835 -20.220  -1.669
  143   1HD1  LEU  67          1HD1      LEU  67  -9.649 -21.672  -2.638
  144   2HD1  LEU  67          3HD1      LEU  67 -10.468 -21.645  -1.095
  145   3HD1  LEU  67          2HD1      LEU  67 -10.311 -20.175  -2.031
  146   1HD2  LEU  67          1HD2      LEU  67  -9.390 -20.436   0.930
  147   2HD2  LEU  67          3HD2      LEU  67  -7.857 -19.619   0.697
  148   3HD2  LEU  67          2HD2      LEU  67  -9.300 -19.001  -0.075
  149    H    LEU  68           H        LEU  68  -7.022 -21.093  -3.561
  150    HA   LEU  68           HA       LEU  68  -9.014 -22.569  -5.096
  151   1HB   LEU  68          2HB       LEU  68  -7.360 -20.053  -5.724
  152   2HB   LEU  68          1HB       LEU  68  -8.630 -20.609  -6.764
  153    HG   LEU  68           HG       LEU  68  -8.998 -19.660  -3.872
  154   1HD1  LEU  68          1HD1      LEU  68  -9.704 -18.290  -6.511
  155   2HD1  LEU  68          3HD1      LEU  68 -10.077 -17.672  -4.912
  156   3HD1  LEU  68          2HD1      LEU  68  -8.409 -17.808  -5.425
  157   1HD2  LEU  68          1HD2      LEU  68 -11.107 -20.342  -6.003
  158   2HD2  LEU  68          3HD2      LEU  68 -10.755 -21.328  -4.594
  159   3HD2  LEU  68          2HD2      LEU  68 -11.436 -19.730  -4.390
  160    H    PHE  69           H        PHE  69  -5.570 -22.085  -5.273
  161    HA   PHE  69           HA       PHE  69  -5.392 -23.280  -7.868
  162   1HB   PHE  69          2HB       PHE  69  -3.357 -22.118  -7.066
  163   2HB   PHE  69          1HB       PHE  69  -3.444 -22.933  -5.514
  164    HD1  PHE  69           HD2      PHE  69  -2.963 -23.652  -9.118
  165    HD2  PHE  69           HD1      PHE  69  -2.206 -24.877  -5.122
  166    HE1  PHE  69           HE2      PHE  69  -1.446 -25.403  -9.958
  167    HE2  PHE  69           HE1      PHE  69  -0.694 -26.637  -5.946
  168    HZ   PHE  69           HZ       PHE  69  -0.312 -26.907  -8.359
  169    H    ILE  70           H        ILE  70  -5.540 -24.499  -4.589
  170    HA   ILE  70           HA       ILE  70  -5.013 -27.143  -5.683
  171    HB   ILE  70           HB       ILE  70  -5.418 -27.940  -3.381
  172   1HG1  ILE  70          2HG1      ILE  70  -5.439 -25.918  -1.678
  173   2HG1  ILE  70          1HG1      ILE  70  -6.238 -25.123  -3.011
  174   1HG2  ILE  70          1HG2      ILE  70  -3.151 -27.221  -4.047
  175   2HG2  ILE  70          3HG2      ILE  70  -3.525 -25.571  -3.569
  176   3HG2  ILE  70          2HG2      ILE  70  -3.435 -26.837  -2.361
  177   1HD1  ILE  70          3HD1      ILE  70  -7.100 -27.739  -1.782
  178   2HD1  ILE  70          2HD1      ILE  70  -7.854 -26.162  -1.507
  179   3HD1  ILE  70          1HD1      ILE  70  -7.949 -26.922  -3.078
  180    H    HIS  71           H        HIS  71  -7.733 -25.189  -4.919
  181    HA   HIS  71           HA       HIS  71  -9.578 -27.429  -4.964
  182   1HB   HIS  71          2HB       HIS  71 -10.066 -25.058  -4.042
  183   2HB   HIS  71          1HB       HIS  71 -10.213 -24.518  -5.708
  184    HD1  HIS  71           HD1      HIS  71 -12.621 -24.116  -4.147
  185    HD2  HIS  71           HD2      HIS  71 -11.863 -27.778  -5.965
  186    HE1  HIS  71           HE1      HIS  71 -14.770 -25.353  -4.431
  187    H    PHE  72           H        PHE  72  -8.296 -25.234  -7.150
  188    HA   PHE  72           HA       PHE  72  -9.728 -26.142  -9.529
  189   1HB   PHE  72          2HB       PHE  72  -7.602 -24.103  -8.986
  190   2HB   PHE  72          1HB       PHE  72  -7.500 -24.798 -10.559
  191    HD1  PHE  72           HD2      PHE  72 -10.063 -23.406  -8.192
  192    HD2  PHE  72           HD1      PHE  72  -8.880 -23.926 -12.249
  193    HE1  PHE  72           HE2      PHE  72 -11.956 -22.007  -8.928
  194    HE2  PHE  72           HE1      PHE  72 -10.754 -22.539 -12.979
  195    HZ   PHE  72           HZ       PHE  72 -12.302 -21.573 -11.331
  196    H    ARG  73           H        ARG  73  -6.409 -26.592  -8.451
  197    HA   ARG  73           HA       ARG  73  -5.484 -28.129 -10.614
  198   1HB   ARG  73          2HB       ARG  73  -4.027 -27.393  -8.720
  199   2HB   ARG  73          1HB       ARG  73  -4.811 -28.547  -7.663
  200   1HG   ARG  73          2HG       ARG  73  -2.646 -29.430  -8.463
  201   2HG   ARG  73          1HG       ARG  73  -3.949 -30.426  -9.064
  202   1HD   ARG  73          2HD       ARG  73  -2.282 -29.989 -10.858
  203   2HD   ARG  73          1HD       ARG  73  -3.807 -29.234 -11.295
  204    HE   ARG  73           HE       ARG  73  -2.327 -27.301  -9.881
  205   1HH1  ARG  73          2HH1      ARG  73  -0.153 -28.770 -11.414
  206   2HH1  ARG  73          1HH1      ARG  73  -0.026 -27.826 -12.855
  207   1HH2  ARG  73          1HH2      ARG  73  -3.112 -26.242 -12.286
  208   2HH2  ARG  73          2HH2      ARG  73  -1.768 -26.336 -13.368
  209    H    ILE  74           H        ILE  74  -7.479 -29.226  -7.903
  210    HA   ILE  74           HA       ILE  74  -7.317 -32.023  -8.735
  211    HB   ILE  74           HB       ILE  74  -9.227 -30.550  -6.836
  212   1HG1  ILE  74          2HG1      ILE  74  -6.614 -32.080  -6.456
  213   2HG1  ILE  74          1HG1      ILE  74  -6.862 -30.384  -6.173
  214   1HG2  ILE  74          2HG2      ILE  74 -10.146 -32.754  -7.610
  215   2HG2  ILE  74          1HG2      ILE  74  -8.662 -33.543  -7.108
  216   3HG2  ILE  74          3HG2      ILE  74  -9.726 -32.807  -5.915
  217   1HD1  ILE  74          2HD1      ILE  74  -8.422 -30.858  -4.312
  218   2HD1  ILE  74          1HD1      ILE  74  -8.171 -32.588  -4.524
  219   3HD1  ILE  74          3HD1      ILE  74  -6.842 -31.565  -4.028
  220    H    GLY  75           H        GLY  75  -9.133 -29.342  -9.669
  221   1HA   GLY  75          2HA       GLY  75 -10.202 -30.039 -12.016
  222   2HA   GLY  75          1HA       GLY  75 -11.334 -30.859 -10.937
  223   1HN   NH2  76          1HT       GLY  75 -10.973 -28.554  -8.889
  224   2HN   NH2  76          2HT       GLY  75 -11.918 -27.318  -9.559
   
  No H/Q in entry =         224
  Start of MODEL    3
    1   1H    ACE  50A         1HA       ACE  50A  4.270   6.250   7.344
    2   2H    ACE  50A         2HA       ACE  50A  5.247   5.002   6.555
    3   3H    ACE  50A         3HA       ACE  50A  4.896   4.892   8.280
    4    H    TYR  50           H        TYR  50   2.795   5.590   5.509
    5    HA   TYR  50           HA       TYR  50   0.871   3.581   6.512
    6   1HB   TYR  50          2HB       TYR  50  -0.571   4.624   4.634
    7   2HB   TYR  50          1HB       TYR  50  -0.164   5.696   5.957
    8    HD1  TYR  50           HD1      TYR  50   0.635   4.807   2.442
    9    HD2  TYR  50           HD2      TYR  50   1.314   7.618   5.575
   10    HE1  TYR  50           HE1      TYR  50   1.683   6.351   0.847
   11    HE2  TYR  50           HE2      TYR  50   2.361   9.142   3.975
   12    HH   TYR  50           HH       TYR  50   2.343   9.586   1.535
   13    H    GLY  51           H        GLY  51   3.368   2.785   5.340
   14   1HA   GLY  51          2HA       GLY  51   2.434   1.305   2.885
   15   2HA   GLY  51          1HA       GLY  51   4.116   1.747   3.180
   16    H    ASP  52           H        ASP  52   1.660   0.361   5.251
   17    HA   ASP  52           HA       ASP  52   3.322  -2.124   5.541
   18   1HB   ASP  52          2HB       ASP  52   2.149  -0.515   7.852
   19   2HB   ASP  52          1HB       ASP  52   3.011  -2.042   8.008
   20    H    THR  53           H        THR  53   0.221  -0.857   5.063
   21    HA   THR  53           HA       THR  53  -1.399  -2.741   6.341
   22    HB   THR  53           HB       THR  53  -3.014  -1.887   4.365
   23    HG1  THR  53           HG1      THR  53  -1.754  -1.145   2.807
   24   1HG2  THR  53          3HG2      THR  53  -1.379   0.335   5.763
   25   2HG2  THR  53          2HG2      THR  53  -2.993   0.491   5.100
   26   3HG2  THR  53          1HG2      THR  53  -2.730  -0.466   6.547
   27    H    TRP  54           H        TRP  54   0.312  -2.663   3.655
   28    HA   TRP  54           HA       TRP  54  -0.769  -4.759   2.280
   29   1HB   TRP  54          2HB       TRP  54   2.162  -3.850   2.367
   30   2HB   TRP  54          1HB       TRP  54   1.537  -4.953   1.138
   31    HD1  TRP  54           HD1      TRP  54   1.555  -1.248   2.038
   32    HE1  TRP  54           HE1      TRP  54   0.247   0.062   0.349
   33    HE3  TRP  54           HE3      TRP  54  -0.559  -5.123  -0.373
   34    HZ2  TRP  54           HZ2      TRP  54  -1.482  -0.463  -1.743
   35    HZ3  TRP  54           HZ3      TRP  54  -2.082  -4.681  -2.262
   36    HH2  TRP  54           HH2      TRP  54  -2.548  -2.343  -2.954
   37    H    ALA  55           H        ALA  55   1.099  -4.891   5.114
   38    HA   ALA  55           HA       ALA  55   2.098  -7.596   4.883
   39   1HB   ALA  55          3HB       ALA  55   1.343  -5.999   7.400
   40   2HB   ALA  55          2HB       ALA  55   2.337  -7.445   7.379
   41   3HB   ALA  55          1HB       ALA  55   2.925  -5.960   6.639
   42    H    GLY  56           H        GLY  56  -0.882  -6.130   5.798
   43   1HA   GLY  56          2HA       GLY  56  -2.134  -8.540   6.873
   44   2HA   GLY  56          1HA       GLY  56  -2.987  -7.045   6.403
   45    H    VAL  57           H        VAL  57  -2.228  -6.675   3.900
   46    HA   VAL  57           HA       VAL  57  -3.894  -8.267   2.344
   47    HB   VAL  57           HB       VAL  57  -1.418  -6.663   1.624
   48   1HG1  VAL  57          3HG1      VAL  57  -3.714  -7.604  -0.145
   49   2HG1  VAL  57          2HG1      VAL  57  -2.448  -6.501  -0.667
   50   3HG1  VAL  57          1HG1      VAL  57  -2.050  -8.154  -0.249
   51   1HG2  VAL  57          2HG2      VAL  57  -4.383  -5.899   1.607
   52   2HG2  VAL  57          1HG2      VAL  57  -3.207  -5.333   2.776
   53   3HG2  VAL  57          3HG2      VAL  57  -3.073  -4.848   1.096
   54    H    GLU  58           H        GLU  58  -0.335  -8.632   2.709
   55    HA   GLU  58           HA       GLU  58  -0.286 -10.907   0.976
   56   1HB   GLU  58          2HB       GLU  58   1.614  -9.745   2.978
   57   2HB   GLU  58          1HB       GLU  58   1.776 -11.480   2.807
   58   1HG   GLU  58          2HG       GLU  58   1.770 -10.934   0.210
   59   2HG   GLU  58          1HG       GLU  58   2.229  -9.326   0.743
   60    H    ALA  59           H        ALA  59  -1.371 -10.681   4.222
   61    HA   ALA  59           HA       ALA  59  -1.014 -13.518   4.838
   62   1HB   ALA  59          3HB       ALA  59  -1.477 -11.785   6.619
   63   2HB   ALA  59          2HB       ALA  59  -3.075 -11.525   5.952
   64   3HB   ALA  59          1HB       ALA  59  -2.672 -13.072   6.664
   65    H    ILE  60           H        ILE  60  -3.121 -11.738   2.932
   66    HA   ILE  60           HA       ILE  60  -5.193 -13.832   2.778
   67    HB   ILE  60           HB       ILE  60  -4.960 -11.358   0.969
   68   1HG1  ILE  60          2HG1      ILE  60  -6.118 -11.282   3.809
   69   2HG1  ILE  60          1HG1      ILE  60  -4.552 -10.644   3.416
   70   1HG2  ILE  60          2HG2      ILE  60  -6.806 -12.998   0.579
   71   2HG2  ILE  60          1HG2      ILE  60  -7.362 -12.765   2.228
   72   3HG2  ILE  60          3HG2      ILE  60  -7.441 -11.442   1.080
   73   1HD1  ILE  60          1HD1      ILE  60  -5.621  -9.109   1.747
   74   2HD1  ILE  60          3HD1      ILE  60  -7.190  -9.659   2.299
   75   3HD1  ILE  60          2HD1      ILE  60  -6.109  -8.833   3.409
   76    H    ILE  61           H        ILE  61  -2.898 -12.245   0.576
   77    HA   ILE  61           HA       ILE  61  -3.276 -14.065  -1.601
   78    HB   ILE  61           HB       ILE  61  -1.419 -13.027  -2.569
   79   1HG1  ILE  61          2HG1      ILE  61   0.021 -11.466  -1.059
   80   2HG1  ILE  61          1HG1      ILE  61  -0.493 -12.628   0.177
   81   1HG2  ILE  61          3HG2      ILE  61  -3.326 -11.534  -2.344
   82   2HG2  ILE  61          2HG2      ILE  61  -2.748 -10.948  -0.799
   83   3HG2  ILE  61          1HG2      ILE  61  -1.831 -10.639  -2.254
   84   1HD1  ILE  61          1HD1      ILE  61   0.774 -13.379  -2.422
   85   2HD1  ILE  61          3HD1      ILE  61   1.587 -13.297  -0.852
   86   3HD1  ILE  61          2HD1      ILE  61   0.346 -14.492  -1.143
   87    H    ARG  62           H        ARG  62  -1.515 -14.207   1.370
   88    HA   ARG  62           HA       ARG  62   0.344 -16.253   0.876
   89   1HB   ARG  62          2HB       ARG  62  -0.346 -14.940   3.191
   90   2HB   ARG  62          1HB       ARG  62  -1.253 -16.389   3.445
   91   1HG   ARG  62          2HG       ARG  62   1.694 -16.512   2.724
   92   2HG   ARG  62          1HG       ARG  62   1.188 -16.190   4.367
   93   1HD   ARG  62          2HD       ARG  62   0.003 -18.299   4.494
   94   2HD   ARG  62          1HD       ARG  62   0.342 -18.656   2.805
   95    HE   ARG  62           HE       ARG  62   2.755 -18.754   3.376
   96   1HH1  ARG  62          2HH1      ARG  62   2.076 -17.429   6.080
   97   2HH1  ARG  62          1HH1      ARG  62   2.401 -18.730   7.176
   98   1HH2  ARG  62          1HH2      ARG  62   2.444 -21.101   4.557
   99   2HH2  ARG  62          2HH2      ARG  62   2.623 -20.913   6.265
  100    H    ILE  63           H        ILE  63  -3.173 -16.508   1.356
  101    HA   ILE  63           HA       ILE  63  -2.924 -19.443   0.702
  102    HB   ILE  63           HB       ILE  63  -3.365 -19.092   3.009
  103   1HG1  ILE  63          2HG1      ILE  63  -5.991 -19.956   1.805
  104   2HG1  ILE  63          1HG1      ILE  63  -4.530 -20.836   1.462
  105   1HG2  ILE  63          3HG2      ILE  63  -5.879 -17.642   2.111
  106   2HG2  ILE  63          2HG2      ILE  63  -5.491 -18.104   3.758
  107   3HG2  ILE  63          1HG2      ILE  63  -4.507 -16.905   2.932
  108   1HD1  ILE  63          2HD1      ILE  63  -4.130 -21.155   3.875
  109   2HD1  ILE  63          1HD1      ILE  63  -5.588 -20.238   4.241
  110   3HD1  ILE  63          3HD1      ILE  63  -5.706 -21.788   3.411
  111    H    LEU  64           H        LEU  64  -4.044 -16.625  -0.385
  112    HA   LEU  64           HA       LEU  64  -6.625 -16.824  -1.372
  113   1HB   LEU  64          2HB       LEU  64  -5.247 -14.790  -1.449
  114   2HB   LEU  64          1HB       LEU  64  -4.185 -15.525  -2.634
  115    HG   LEU  64           HG       LEU  64  -6.195 -15.632  -4.209
  116   1HD1  LEU  64          1HD1      LEU  64  -7.453 -13.834  -2.081
  117   2HD1  LEU  64          3HD1      LEU  64  -8.128 -14.190  -3.663
  118   3HD1  LEU  64          2HD1      LEU  64  -7.993 -15.459  -2.472
  119   1HD2  LEU  64          3HD2      LEU  64  -5.347 -12.874  -3.224
  120   2HD2  LEU  64          2HD2      LEU  64  -4.495 -13.857  -4.406
  121   3HD2  LEU  64          1HD2      LEU  64  -6.086 -13.227  -4.773
  122    H    GLN  65           H        GLN  65  -4.000 -17.108  -3.709
  123    HA   GLN  65           HA       GLN  65  -5.759 -18.882  -5.199
  124   1HB   GLN  65          2HB       GLN  65  -3.876 -18.849  -6.898
  125   2HB   GLN  65          1HB       GLN  65  -4.424 -17.239  -6.491
  126   1HG   GLN  65          2HG       GLN  65  -1.968 -18.516  -5.186
  127   2HG   GLN  65          1HG       GLN  65  -1.873 -17.583  -6.666
  128   1HE2  GLN  65          2HE2      GLN  65  -1.952 -15.649  -3.179
  129   2HE2  GLN  65          1HE2      GLN  65  -1.795 -17.329  -3.300
  130    H    GLN  66           H        GLN  66  -3.943 -19.373  -2.624
  131    HA   GLN  66           HA       GLN  66  -2.640 -21.849  -3.532
  132   1HB   GLN  66          2HB       GLN  66  -3.244 -20.764  -0.757
  133   2HB   GLN  66          1HB       GLN  66  -2.371 -22.237  -1.032
  134   1HG   GLN  66          2HG       GLN  66  -0.682 -20.588  -0.601
  135   2HG   GLN  66          1HG       GLN  66  -0.613 -20.867  -2.325
  136   1HE2  GLN  66          2HE2      GLN  66  -0.477 -17.215  -1.838
  137   2HE2  GLN  66          1HE2      GLN  66   0.528 -18.535  -1.478
  138    H    LEU  67           H        LEU  67  -5.597 -20.845  -1.964
  139    HA   LEU  67           HA       LEU  67  -6.418 -23.663  -1.595
  140   1HB   LEU  67          2HB       LEU  67  -8.340 -22.709  -0.454
  141   2HB   LEU  67          1HB       LEU  67  -6.944 -21.819   0.073
  142    HG   LEU  67           HG       LEU  67  -7.609 -20.122  -1.824
  143   1HD1  LEU  67          3HD1      LEU  67  -9.500 -21.509  -2.814
  144   2HD1  LEU  67          2HD1      LEU  67 -10.317 -21.466  -1.270
  145   3HD1  LEU  67          1HD1      LEU  67 -10.085 -19.994  -2.189
  146   1HD2  LEU  67          1HD2      LEU  67  -9.199 -20.345   0.765
  147   2HD2  LEU  67          3HD2      LEU  67  -7.637 -19.571   0.564
  148   3HD2  LEU  67          2HD2      LEU  67  -9.048 -18.892  -0.206
  149    H    LEU  68           H        LEU  68  -6.766 -21.095  -3.796
  150    HA   LEU  68           HA       LEU  68  -8.949 -22.404  -5.233
  151   1HB   LEU  68          2HB       LEU  68  -7.088 -20.087  -5.974
  152   2HB   LEU  68          1HB       LEU  68  -8.487 -20.497  -6.918
  153    HG   LEU  68           HG       LEU  68  -8.572 -19.520  -4.007
  154   1HD1  LEU  68          3HD1      LEU  68  -9.256 -18.050  -6.597
  155   2HD1  LEU  68          2HD1      LEU  68  -9.457 -17.416  -4.974
  156   3HD1  LEU  68          1HD1      LEU  68  -7.853 -17.737  -5.588
  157   1HD2  LEU  68          2HD2      LEU  68 -10.839 -19.931  -6.045
  158   2HD2  LEU  68          1HD2      LEU  68 -10.557 -20.966  -4.662
  159   3HD2  LEU  68          3HD2      LEU  68 -11.021 -19.299  -4.419
  160    H    PHE  69           H        PHE  69  -5.483 -22.209  -5.572
  161    HA   PHE  69           HA       PHE  69  -5.543 -23.480  -8.142
  162   1HB   PHE  69          2HB       PHE  69  -3.405 -22.429  -7.599
  163   2HB   PHE  69          1HB       PHE  69  -3.491 -22.968  -5.939
  164    HD1  PHE  69           HD2      PHE  69  -3.110 -24.428  -9.363
  165    HD2  PHE  69           HD1      PHE  69  -2.219 -24.706  -5.211
  166    HE1  PHE  69           HE2      PHE  69  -1.615 -26.320  -9.808
  167    HE2  PHE  69           HE1      PHE  69  -0.725 -26.598  -5.647
  168    HZ   PHE  69           HZ       PHE  69  -0.417 -27.412  -7.950
  169    H    ILE  70           H        ILE  70  -5.619 -24.575  -4.817
  170    HA   ILE  70           HA       ILE  70  -5.297 -27.289  -5.831
  171    HB   ILE  70           HB       ILE  70  -5.623 -27.958  -3.481
  172   1HG1  ILE  70          2HG1      ILE  70  -5.455 -25.854  -1.874
  173   2HG1  ILE  70          1HG1      ILE  70  -6.290 -25.084  -3.197
  174   1HG2  ILE  70          3HG2      ILE  70  -3.371 -27.393  -4.313
  175   2HG2  ILE  70          2HG2      ILE  70  -3.632 -25.705  -3.904
  176   3HG2  ILE  70          1HG2      ILE  70  -3.526 -26.908  -2.636
  177   1HD1  ILE  70          2HD1      ILE  70  -7.213 -27.622  -1.825
  178   2HD1  ILE  70          1HD1      ILE  70  -7.890 -26.014  -1.553
  179   3HD1  ILE  70          3HD1      ILE  70  -8.090 -26.806  -3.093
  180    H    HIS  71           H        HIS  71  -7.863 -25.136  -5.000
  181    HA   HIS  71           HA       HIS  71  -9.835 -27.265  -4.920
  182   1HB   HIS  71          2HB       HIS  71 -10.175 -24.841  -4.060
  183   2HB   HIS  71          1HB       HIS  71 -10.343 -24.363  -5.746
  184    HD1  HIS  71           HD1      HIS  71 -12.707 -23.786  -4.184
  185    HD2  HIS  71           HD2      HIS  71 -12.132 -27.572  -5.796
  186    HE1  HIS  71           HE1      HIS  71 -14.907 -24.941  -4.362
  187    H    PHE  72           H        PHE  72  -8.545 -25.195  -7.222
  188    HA   PHE  72           HA       PHE  72 -10.128 -26.128  -9.497
  189   1HB   PHE  72          2HB       PHE  72  -7.901 -24.146  -9.121
  190   2HB   PHE  72          1HB       PHE  72  -7.948 -24.831 -10.697
  191    HD1  PHE  72           HD2      PHE  72 -10.108 -23.261  -8.087
  192    HD2  PHE  72           HD1      PHE  72  -9.652 -24.068 -12.251
  193    HE1  PHE  72           HE2      PHE  72 -12.059 -21.844  -8.583
  194    HE2  PHE  72           HE1      PHE  72 -11.593 -22.655 -12.735
  195    HZ   PHE  72           HZ       PHE  72 -12.803 -21.541 -10.909
  196    H    ARG  73           H        ARG  73  -6.795 -26.699  -8.530
  197    HA   ARG  73           HA       ARG  73  -6.014 -28.307 -10.706
  198   1HB   ARG  73          2HB       ARG  73  -4.423 -27.537  -9.021
  199   2HB   ARG  73          1HB       ARG  73  -5.196 -28.509  -7.780
  200   1HG   ARG  73          2HG       ARG  73  -4.449 -30.562  -8.785
  201   2HG   ARG  73          1HG       ARG  73  -4.050 -29.765 -10.299
  202   1HD   ARG  73          2HD       ARG  73  -2.028 -30.329  -8.905
  203   2HD   ARG  73          1HD       ARG  73  -2.159 -28.618  -9.267
  204    HE   ARG  73           HE       ARG  73  -2.730 -28.189  -6.983
  205   1HH1  ARG  73          1HH2      ARG  73  -4.474 -30.377  -6.305
  206   2HH1  ARG  73          2HH2      ARG  73  -3.521 -31.422  -5.305
  207   1HH2  ARG  73          2HH1      ARG  73  -0.518 -29.910  -6.393
  208   2HH2  ARG  73          1HH1      ARG  73  -1.142 -31.123  -5.335
  209    H    ILE  74           H        ILE  74  -7.978 -29.239  -7.927
  210    HA   ILE  74           HA       ILE  74  -7.873 -32.084  -8.635
  211    HB   ILE  74           HB       ILE  74  -9.660 -30.518  -6.699
  212   1HG1  ILE  74          2HG1      ILE  74  -7.019 -32.019  -6.404
  213   2HG1  ILE  74          1HG1      ILE  74  -7.248 -30.309  -6.217
  214   1HG2  ILE  74          2HG2      ILE  74 -10.591 -32.778  -7.291
  215   2HG2  ILE  74          1HG2      ILE  74  -9.062 -33.516  -6.853
  216   3HG2  ILE  74          3HG2      ILE  74 -10.059 -32.735  -5.630
  217   1HD1  ILE  74          3HD1      ILE  74  -8.687 -30.670  -4.224
  218   2HD1  ILE  74          2HD1      ILE  74  -8.450 -32.408  -4.356
  219   3HD1  ILE  74          1HD1      ILE  74  -7.092 -31.368  -3.995
  220    H    GLY  75           H        GLY  75  -9.508 -29.448  -9.779
  221   1HA   GLY  75          2HA       GLY  75 -11.093 -29.231 -11.506
  222   2HA   GLY  75          1HA       GLY  75 -11.100 -30.993 -11.645
  223   1HN   NH2  76          1HT       GLY  75 -12.199 -32.098  -9.705
  224   2HN   NH2  76          2HT       GLY  75 -13.666 -31.409  -9.159
   
  No H/Q in entry =         224
  Start of MODEL    4
    1   1H    ACE  50A         1HA       ACE  50A  4.121  -4.011  -2.967
    2   2H    ACE  50A         2HA       ACE  50A  3.881  -2.270  -2.776
    3   3H    ACE  50A         3HA       ACE  50A  2.641  -3.399  -2.227
    4    H    TYR  50           H        TYR  50   6.172  -3.158  -1.754
    5    HA   TYR  50           HA       TYR  50   5.903  -4.023   1.031
    6   1HB   TYR  50          2HB       TYR  50   8.387  -2.880  -0.358
    7   2HB   TYR  50          1HB       TYR  50   8.364  -3.913   1.055
    8    HD1  TYR  50           HD2      TYR  50   6.913  -6.214   0.631
    9    HD2  TYR  50           HD1      TYR  50   8.908  -3.958  -2.389
   10    HE1  TYR  50           HE2      TYR  50   6.960  -8.186  -0.824
   11    HE2  TYR  50           HE1      TYR  50   8.947  -5.928  -3.827
   12    HH   TYR  50           HH       TYR  50   8.093  -8.051  -4.121
   13    H    GLY  51           H        GLY  51   4.327  -1.933   0.852
   14   1HA   GLY  51          2HA       GLY  51   5.701   0.569   1.586
   15   2HA   GLY  51          1HA       GLY  51   3.954   0.359   1.457
   16    H    ASP  52           H        ASP  52   3.803  -1.925   3.071
   17    HA   ASP  52           HA       ASP  52   4.766  -2.365   5.478
   18   1HB   ASP  52          2HB       ASP  52   3.759  -0.776   7.168
   19   2HB   ASP  52          1HB       ASP  52   5.028  -0.055   6.233
   20    H    THR  53           H        THR  53   1.636  -1.238   4.179
   21    HA   THR  53           HA       THR  53   0.284  -3.035   6.038
   22    HB   THR  53           HB       THR  53  -0.636  -0.691   5.707
   23    HG1  THR  53           HG1      THR  53  -2.051  -2.997   5.247
   24   1HG2  THR  53          1HG2      THR  53  -1.207  -1.654   2.840
   25   2HG2  THR  53          3HG2      THR  53  -1.690  -0.124   3.539
   26   3HG2  THR  53          2HG2      THR  53   0.003  -0.443   3.244
   27    H    TRP  54           H        TRP  54   1.325  -3.163   3.032
   28    HA   TRP  54           HA       TRP  54  -0.653  -4.904   1.970
   29   1HB   TRP  54          2HB       TRP  54   2.300  -4.572   1.284
   30   2HB   TRP  54          1HB       TRP  54   1.236  -5.581   0.318
   31    HD1  TRP  54           HD1      TRP  54   1.906  -1.829   1.007
   32    HE1  TRP  54           HE1      TRP  54   0.512  -0.444  -0.564
   33    HE3  TRP  54           HE3      TRP  54  -0.911  -5.538  -0.887
   34    HZ2  TRP  54           HZ2      TRP  54  -1.525  -0.860  -2.373
   35    HZ3  TRP  54           HZ3      TRP  54  -2.619  -5.003  -2.583
   36    HH2  TRP  54           HH2      TRP  54  -2.928  -2.657  -3.327
   37    H    ALA  55           H        ALA  55   1.848  -5.449   4.157
   38    HA   ALA  55           HA       ALA  55   2.261  -8.249   3.812
   39   1HB   ALA  55          2HB       ALA  55   3.584  -6.819   5.418
   40   2HB   ALA  55          1HB       ALA  55   2.158  -6.661   6.435
   41   3HB   ALA  55          3HB       ALA  55   2.918  -8.227   6.223
   42    H    GLY  56           H        GLY  56  -0.393  -6.426   5.010
   43   1HA   GLY  56          2HA       GLY  56  -1.779  -8.587   6.388
   44   2HA   GLY  56          1HA       GLY  56  -2.509  -7.050   5.875
   45    H    VAL  57           H        VAL  57  -2.129  -6.952   3.278
   46    HA   VAL  57           HA       VAL  57  -4.106  -8.538   2.122
   47    HB   VAL  57           HB       VAL  57  -1.670  -7.090   1.003
   48   1HG1  VAL  57          3HG1      VAL  57  -4.121  -8.114  -0.521
   49   2HG1  VAL  57          2HG1      VAL  57  -2.848  -7.123  -1.217
   50   3HG1  VAL  57          1HG1      VAL  57  -2.497  -8.757  -0.692
   51   1HG2  VAL  57          3HG2      VAL  57  -3.333  -5.656   2.171
   52   2HG2  VAL  57          2HG2      VAL  57  -3.309  -5.297   0.459
   53   3HG2  VAL  57          1HG2      VAL  57  -4.609  -6.265   1.138
   54    H    GLU  58           H        GLU  58  -0.641  -8.950   2.165
   55    HA   GLU  58           HA       GLU  58  -0.577 -11.365   0.637
   56   1HB   GLU  58          2HB       GLU  58   1.252 -10.086   2.683
   57   2HB   GLU  58          1HB       GLU  58   1.586 -11.746   2.270
   58   1HG   GLU  58          2HG       GLU  58   1.151 -10.204  -0.185
   59   2HG   GLU  58          1HG       GLU  58   2.322  -9.383   0.831
   60    H    ALA  59           H        ALA  59  -1.458 -10.884   3.938
   61    HA   ALA  59           HA       ALA  59  -1.118 -13.704   4.639
   62   1HB   ALA  59          1HB       ALA  59  -1.277 -11.900   6.414
   63   2HB   ALA  59          3HB       ALA  59  -2.931 -11.574   5.926
   64   3HB   ALA  59          2HB       ALA  59  -2.520 -13.119   6.651
   65    H    ILE  60           H        ILE  60  -3.279 -11.976   2.818
   66    HA   ILE  60           HA       ILE  60  -5.479 -13.931   3.056
   67    HB   ILE  60           HB       ILE  60  -5.289 -11.565   1.097
   68   1HG1  ILE  60          2HG1      ILE  60  -6.194 -11.416   4.020
   69   2HG1  ILE  60          1HG1      ILE  60  -4.697 -10.757   3.428
   70   1HG2  ILE  60          3HG2      ILE  60  -7.195 -13.164   0.861
   71   2HG2  ILE  60          2HG2      ILE  60  -7.657 -12.878   2.530
   72   3HG2  ILE  60          1HG2      ILE  60  -7.770 -11.589   1.348
   73   1HD1  ILE  60          2HD1      ILE  60  -5.934  -9.292   1.877
   74   2HD1  ILE  60          1HD1      ILE  60  -7.444  -9.865   2.560
   75   3HD1  ILE  60          3HD1      ILE  60  -6.291  -9.010   3.573
   76    H    ILE  61           H        ILE  61  -3.408 -12.568   0.478
   77    HA   ILE  61           HA       ILE  61  -4.077 -14.540  -1.470
   78    HB   ILE  61           HB       ILE  61  -2.154 -13.655  -2.661
   79   1HG1  ILE  61          2HG1      ILE  61  -0.579 -12.111  -1.317
   80   2HG1  ILE  61          1HG1      ILE  61  -1.109 -13.148   0.011
   81   1HG2  ILE  61          3HG2      ILE  61  -3.968 -12.016  -2.414
   82   2HG2  ILE  61          2HG2      ILE  61  -3.236 -11.389  -0.952
   83   3HG2  ILE  61          1HG2      ILE  61  -2.402 -11.249  -2.482
   84   1HD1  ILE  61          2HD1      ILE  61  -0.458 -15.155  -1.271
   85   2HD1  ILE  61          1HD1      ILE  61  -0.002 -14.116  -2.606
   86   3HD1  ILE  61          3HD1      ILE  61   0.878 -14.042  -1.073
   87    H    ARG  62           H        ARG  62  -1.863 -14.589   1.196
   88    HA   ARG  62           HA       ARG  62  -0.379 -16.879   0.628
   89   1HB   ARG  62          2HB       ARG  62  -1.342 -15.486   3.097
   90   2HB   ARG  62          1HB       ARG  62  -0.682 -17.077   3.321
   91   1HG   ARG  62          2HG       ARG  62   0.872 -15.101   1.610
   92   2HG   ARG  62          1HG       ARG  62   0.913 -14.917   3.356
   93   1HD   ARG  62          2HD       ARG  62   1.582 -17.503   1.884
   94   2HD   ARG  62          1HD       ARG  62   2.764 -16.381   2.572
   95    HE   ARG  62           HE       ARG  62   1.368 -16.759   4.757
   96   1HH1  ARG  62          1HH2      ARG  62   0.043 -19.043   2.988
   97   2HH1  ARG  62          2HH2      ARG  62   0.799 -20.414   3.737
   98   1HH2  ARG  62          2HH1      ARG  62   3.186 -18.453   5.383
   99   2HH2  ARG  62          1HH1      ARG  62   2.643 -20.073   5.134
  100    H    ILE  63           H        ILE  63  -3.707 -16.690   1.490
  101    HA   ILE  63           HA       ILE  63  -3.866 -19.689   1.582
  102    HB   ILE  63           HB       ILE  63  -4.055 -18.803   3.749
  103   1HG1  ILE  63          2HG1      ILE  63  -6.913 -19.381   2.996
  104   2HG1  ILE  63          1HG1      ILE  63  -5.685 -20.582   2.705
  105   1HG2  ILE  63          3HG2      ILE  63  -6.360 -17.127   2.699
  106   2HG2  ILE  63          2HG2      ILE  63  -5.892 -17.297   4.381
  107   3HG2  ILE  63          1HG2      ILE  63  -4.801 -16.511   3.256
  108   1HD1  ILE  63          2HD1      ILE  63  -6.210 -19.256   5.397
  109   2HD1  ILE  63          1HD1      ILE  63  -6.704 -20.884   4.934
  110   3HD1  ILE  63          3HD1      ILE  63  -4.996 -20.492   5.069
  111    H    LEU  64           H        LEU  64  -5.440 -16.773   0.654
  112    HA   LEU  64           HA       LEU  64  -7.951 -17.465  -0.290
  113   1HB   LEU  64          2HB       LEU  64  -7.127 -15.172  -0.005
  114   2HB   LEU  64          1HB       LEU  64  -5.929 -15.389  -1.247
  115    HG   LEU  64           HG       LEU  64  -7.872 -15.746  -2.888
  116   1HD1  LEU  64          1HD1      LEU  64  -9.646 -16.182  -1.163
  117   2HD1  LEU  64          3HD1      LEU  64  -9.453 -14.545  -0.559
  118   3HD1  LEU  64          2HD1      LEU  64 -10.076 -14.822  -2.177
  119   1HD2  LEU  64          1HD2      LEU  64  -7.605 -13.044  -1.492
  120   2HD2  LEU  64          3HD2      LEU  64  -6.574 -13.630  -2.783
  121   3HD2  LEU  64          2HD2      LEU  64  -8.261 -13.285  -3.097
  122    H    GLN  65           H        GLN  65  -5.446 -16.680  -2.684
  123    HA   GLN  65           HA       GLN  65  -6.718 -18.630  -4.399
  124   1HB   GLN  65          2HB       GLN  65  -4.918 -18.004  -6.022
  125   2HB   GLN  65          1HB       GLN  65  -5.647 -16.557  -5.372
  126   1HG   GLN  65          2HG       GLN  65  -3.732 -16.270  -3.801
  127   2HG   GLN  65          1HG       GLN  65  -3.054 -17.806  -4.321
  128   1HE2  GLN  65          2HE2      GLN  65  -1.235 -15.434  -6.338
  129   2HE2  GLN  65          1HE2      GLN  65  -1.228 -16.024  -4.745
  130    H    GLN  66           H        GLN  66  -4.796 -19.015  -1.870
  131    HA   GLN  66           HA       GLN  66  -3.007 -21.046  -2.981
  132   1HB   GLN  66          2HB       GLN  66  -2.834 -19.617  -0.687
  133   2HB   GLN  66          1HB       GLN  66  -3.813 -20.939  -0.063
  134   1HG   GLN  66          2HG       GLN  66  -1.588 -21.617   0.407
  135   2HG   GLN  66          1HG       GLN  66  -2.010 -22.532  -1.032
  136   1HE2  GLN  66          2HE2      GLN  66   0.683 -19.463  -1.295
  137   2HE2  GLN  66          1HE2      GLN  66  -0.399 -19.546   0.019
  138    H    LEU  67           H        LEU  67  -6.166 -20.918  -1.439
  139    HA   LEU  67           HA       LEU  67  -6.348 -23.870  -1.439
  140   1HB   LEU  67          2HB       LEU  67  -8.484 -23.513  -0.337
  141   2HB   LEU  67          1HB       LEU  67  -7.237 -22.611   0.467
  142    HG   LEU  67           HG       LEU  67  -8.115 -20.534  -0.779
  143   1HD1  LEU  67          2HD1      LEU  67  -9.590 -21.754  -2.476
  144   2HD1  LEU  67          1HD1      LEU  67 -10.541 -22.361  -1.150
  145   3HD1  LEU  67          3HD1      LEU  67 -10.502 -20.648  -1.493
  146   1HD2  LEU  67          1HD2      LEU  67  -9.925 -21.949   1.232
  147   2HD2  LEU  67          3HD2      LEU  67  -8.519 -20.972   1.620
  148   3HD2  LEU  67          2HD2      LEU  67  -9.925 -20.225   0.896
  149    H    LEU  68           H        LEU  68  -7.228 -21.137  -3.277
  150    HA   LEU  68           HA       LEU  68  -9.122 -22.604  -4.931
  151   1HB   LEU  68          2HB       LEU  68  -7.665 -19.958  -5.422
  152   2HB   LEU  68          1HB       LEU  68  -8.976 -20.536  -6.399
  153    HG   LEU  68           HG       LEU  68  -9.246 -19.805  -3.439
  154   1HD1  LEU  68          2HD1      LEU  68  -8.847 -17.805  -4.893
  155   2HD1  LEU  68          1HD1      LEU  68 -10.169 -18.304  -5.939
  156   3HD1  LEU  68          3HD1      LEU  68 -10.484 -17.826  -4.278
  157   1HD2  LEU  68          2HD2      LEU  68 -10.921 -21.539  -4.271
  158   2HD2  LEU  68          1HD2      LEU  68 -11.687 -20.014  -3.891
  159   3HD2  LEU  68          3HD2      LEU  68 -11.374 -20.443  -5.563
  160    H    PHE  69           H        PHE  69  -5.734 -21.776  -5.100
  161    HA   PHE  69           HA       PHE  69  -5.512 -22.677  -7.802
  162   1HB   PHE  69          2HB       PHE  69  -3.583 -21.382  -7.014
  163   2HB   PHE  69          1HB       PHE  69  -3.598 -22.160  -5.443
  164    HD1  PHE  69           HD2      PHE  69  -3.040 -23.047  -9.034
  165    HD2  PHE  69           HD1      PHE  69  -1.982 -23.765  -4.971
  166    HE1  PHE  69           HE2      PHE  69  -1.289 -24.598  -9.763
  167    HE2  PHE  69           HE1      PHE  69  -0.235 -25.319  -5.700
  168    HZ   PHE  69           HZ       PHE  69   0.118 -25.743  -8.096
  169    H    ILE  70           H        ILE  70  -5.491 -24.247  -4.702
  170    HA   ILE  70           HA       ILE  70  -4.703 -26.685  -6.068
  171    HB   ILE  70           HB       ILE  70  -4.913 -27.742  -3.857
  172   1HG1  ILE  70          2HG1      ILE  70  -5.080 -25.876  -1.961
  173   2HG1  ILE  70          1HG1      ILE  70  -6.061 -25.102  -3.179
  174   1HG2  ILE  70          1HG2      ILE  70  -2.780 -26.686  -4.530
  175   2HG2  ILE  70          3HG2      ILE  70  -3.321 -25.146  -3.879
  176   3HG2  ILE  70          2HG2      ILE  70  -3.021 -26.496  -2.802
  177   1HD1  ILE  70          3HD1      ILE  70  -7.499 -27.134  -3.335
  178   2HD1  ILE  70          2HD1      ILE  70  -6.481 -27.913  -2.143
  179   3HD1  ILE  70          1HD1      ILE  70  -7.445 -26.503  -1.705
  180    H    HIS  71           H        HIS  71  -7.573 -25.107  -4.998
  181    HA   HIS  71           HA       HIS  71  -9.204 -27.466  -5.227
  182   1HB   HIS  71          2HB       HIS  71  -9.925 -25.212  -4.130
  183   2HB   HIS  71          1HB       HIS  71 -10.112 -24.586  -5.768
  184    HD1  HIS  71           HD1      HIS  71 -11.961 -26.412  -3.251
  185    HD2  HIS  71           HD2      HIS  71 -11.864 -26.174  -7.394
  186    HE1  HIS  71           HE1      HIS  71 -14.082 -27.371  -4.167
  187    H    PHE  72           H        PHE  72  -8.229 -24.966  -7.240
  188    HA   PHE  72           HA       PHE  72  -9.582 -25.863  -9.667
  189   1HB   PHE  72          2HB       PHE  72  -7.712 -23.635  -8.952
  190   2HB   PHE  72          1HB       PHE  72  -7.623 -24.083 -10.598
  191    HD1  PHE  72           HD1      PHE  72  -9.788 -22.772  -7.927
  192    HD2  PHE  72           HD2      PHE  72  -9.657 -23.849 -12.049
  193    HE1  PHE  72           HE1      PHE  72 -11.910 -21.599  -8.299
  194    HE2  PHE  72           HE2      PHE  72 -11.778 -22.679 -12.418
  195    HZ   PHE  72           HZ       PHE  72 -12.914 -21.551 -10.551
  196    H    ARG  73           H        ARG  73  -6.216 -25.961  -8.653
  197    HA   ARG  73           HA       ARG  73  -5.227 -27.241 -10.984
  198   1HB   ARG  73          2HB       ARG  73  -3.756 -26.285  -9.160
  199   2HB   ARG  73          1HB       ARG  73  -4.215 -27.620  -8.114
  200   1HG   ARG  73          2HG       ARG  73  -2.099 -28.187  -9.077
  201   2HG   ARG  73          1HG       ARG  73  -3.268 -29.184  -9.915
  202   1HD   ARG  73          2HD       ARG  73  -3.319 -27.274 -11.732
  203   2HD   ARG  73          1HD       ARG  73  -1.883 -26.667 -10.925
  204    HE   ARG  73           HE       ARG  73  -0.826 -28.908 -11.422
  205   1HH1  ARG  73          1HH2      ARG  73  -3.628 -29.825 -12.388
  206   2HH1  ARG  73          2HH2      ARG  73  -3.358 -29.927 -14.094
  207   1HH2  ARG  73          2HH1      ARG  73  -0.384 -28.045 -13.895
  208   2HH2  ARG  73          1HH1      ARG  73  -1.456 -28.854 -14.979
  209    H    ILE  74           H        ILE  74  -6.691 -28.617  -8.074
  210    HA   ILE  74           HA       ILE  74  -6.357 -31.339  -9.130
  211    HB   ILE  74           HB       ILE  74  -7.771 -30.341  -6.602
  212   1HG1  ILE  74          2HG1      ILE  74  -4.869 -31.216  -7.093
  213   2HG1  ILE  74          1HG1      ILE  74  -5.380 -29.604  -6.674
  214   1HG2  ILE  74          2HG2      ILE  74  -8.344 -32.661  -7.321
  215   2HG2  ILE  74          1HG2      ILE  74  -6.636 -33.076  -7.367
  216   3HG2  ILE  74          3HG2      ILE  74  -7.415 -32.683  -5.837
  217   1HD1  ILE  74          1HD1      ILE  74  -6.242 -30.382  -4.493
  218   2HD1  ILE  74          3HD1      ILE  74  -5.675 -32.009  -4.838
  219   3HD1  ILE  74          2HD1      ILE  74  -4.526 -30.700  -4.668
  220    H    GLY  75           H        GLY  75  -9.104 -29.261  -8.187
  221   1HA   GLY  75          2HA       GLY  75 -11.247 -29.099  -9.089
  222   2HA   GLY  75          1HA       GLY  75 -10.689 -30.042 -10.466
  223   1HN   NH2  76          1HT       GLY  75 -10.201 -32.522  -9.550
  224   2HN   NH2  76          2HT       GLY  75 -11.558 -33.178  -8.749
   
  No H/Q in entry =         224
  Start of MODEL    5
    1   1H    ACE  50A         1HA       ACE  50A  2.727   4.027   6.581
    2   2H    ACE  50A         2HA       ACE  50A  1.273   3.231   7.182
    3   3H    ACE  50A         3HA       ACE  50A  1.190   4.886   6.561
    4    H    TYR  50           H        TYR  50  -0.095   2.268   5.711
    5    HA   TYR  50           HA       TYR  50  -0.851   1.303   3.805
    6   1HB   TYR  50          2HB       TYR  50   0.275   3.882   2.658
    7   2HB   TYR  50          1HB       TYR  50  -0.329   2.627   1.600
    8    HD1  TYR  50           HD1      TYR  50  -1.324   4.722   4.545
    9    HD2  TYR  50           HD2      TYR  50  -2.647   2.392   1.230
   10    HE1  TYR  50           HE1      TYR  50  -3.645   5.461   4.932
   11    HE2  TYR  50           HE2      TYR  50  -4.939   3.121   1.625
   12    HH   TYR  50           HH       TYR  50  -6.188   4.841   2.699
   13    H    GLY  51           H        GLY  51   2.024   2.551   2.823
   14   1HA   GLY  51          2HA       GLY  51   3.021   0.681   0.982
   15   2HA   GLY  51          1HA       GLY  51   4.101   1.599   2.015
   16    H    ASP  52           H        ASP  52   2.699   0.148   4.321
   17    HA   ASP  52           HA       ASP  52   4.273  -2.409   4.162
   18   1HB   ASP  52          2HB       ASP  52   4.704  -2.198   6.550
   19   2HB   ASP  52          1HB       ASP  52   5.067  -0.632   5.834
   20    H    THR  53           H        THR  53   1.153  -1.059   4.567
   21    HA   THR  53           HA       THR  53  -0.050  -2.990   6.198
   22    HB   THR  53           HB       THR  53  -1.366  -1.350   3.928
   23    HG1  THR  53           HG1      THR  53  -1.108  -0.198   6.416
   24   1HG2  THR  53          2HG2      THR  53  -2.279  -1.874   6.837
   25   2HG2  THR  53          1HG2      THR  53  -3.205  -1.068   5.577
   26   3HG2  THR  53          3HG2      THR  53  -2.869  -2.783   5.461
   27    H    TRP  54           H        TRP  54   1.039  -2.976   3.204
   28    HA   TRP  54           HA       TRP  54  -0.615  -4.887   2.076
   29   1HB   TRP  54          2HB       TRP  54   2.345  -4.256   1.495
   30   2HB   TRP  54          1HB       TRP  54   1.380  -5.306   0.456
   31    HD1  TRP  54           HD1      TRP  54   1.856  -1.618   1.299
   32    HE1  TRP  54           HE1      TRP  54   0.347  -0.193  -0.109
   33    HE3  TRP  54           HE3      TRP  54  -0.946  -5.304  -0.661
   34    HZ2  TRP  54           HZ2      TRP  54  -1.772  -0.573  -1.838
   35    HZ3  TRP  54           HZ3      TRP  54  -2.762  -4.726  -2.226
   36    HH2  TRP  54           HH2      TRP  54  -3.177  -2.359  -2.822
   37    H    ALA  55           H        ALA  55   1.799  -5.218   4.434
   38    HA   ALA  55           HA       ALA  55   2.486  -7.989   4.052
   39   1HB   ALA  55          1HB       ALA  55   3.717  -6.456   5.649
   40   2HB   ALA  55          3HB       ALA  55   2.285  -6.389   6.665
   41   3HB   ALA  55          2HB       ALA  55   3.153  -7.903   6.471
   42    H    GLY  56           H        GLY  56  -0.251  -6.365   5.339
   43   1HA   GLY  56          2HA       GLY  56  -1.444  -8.669   6.676
   44   2HA   GLY  56          1HA       GLY  56  -2.282  -7.147   6.281
   45    H    VAL  57           H        VAL  57  -1.912  -6.879   3.660
   46    HA   VAL  57           HA       VAL  57  -3.854  -8.472   2.462
   47    HB   VAL  57           HB       VAL  57  -1.450  -6.990   1.312
   48   1HG1  VAL  57          1HG1      VAL  57  -3.990  -7.925  -0.103
   49   2HG1  VAL  57          3HG1      VAL  57  -2.738  -6.925  -0.831
   50   3HG1  VAL  57          2HG1      VAL  57  -2.382  -8.583  -0.380
   51   1HG2  VAL  57          2HG2      VAL  57  -4.367  -6.138   1.651
   52   2HG2  VAL  57          1HG2      VAL  57  -3.024  -5.556   2.613
   53   3HG2  VAL  57          3HG2      VAL  57  -3.114  -5.163   0.909
   54    H    GLU  58           H        GLU  58  -0.368  -8.883   2.392
   55    HA   GLU  58           HA       GLU  58  -0.301 -11.219   0.768
   56   1HB   GLU  58          2HB       GLU  58   1.491 -10.080   2.960
   57   2HB   GLU  58          1HB       GLU  58   1.885 -11.646   2.313
   58   1HG   GLU  58          2HG       GLU  58   1.504  -9.190   0.541
   59   2HG   GLU  58          1HG       GLU  58   3.053  -9.583   1.256
   60    H    ALA  59           H        ALA  59  -1.183 -10.896   4.071
   61    HA   ALA  59           HA       ALA  59  -0.870 -13.760   4.619
   62   1HB   ALA  59          1HB       ALA  59  -0.854 -12.046   6.464
   63   2HB   ALA  59          3HB       ALA  59  -2.510 -11.623   6.082
   64   3HB   ALA  59          2HB       ALA  59  -2.142 -13.211   6.730
   65    H    ILE  60           H        ILE  60  -3.130 -11.844   3.079
   66    HA   ILE  60           HA       ILE  60  -5.336 -13.796   3.344
   67    HB   ILE  60           HB       ILE  60  -5.277 -11.321   1.514
   68   1HG1  ILE  60          2HG1      ILE  60  -5.886 -11.286   4.522
   69   2HG1  ILE  60          1HG1      ILE  60  -4.436 -10.650   3.811
   70   1HG2  ILE  60          2HG2      ILE  60  -7.258 -12.845   1.405
   71   2HG2  ILE  60          1HG2      ILE  60  -7.526 -12.626   3.125
   72   3HG2  ILE  60          3HG2      ILE  60  -7.717 -11.274   2.025
   73   1HD1  ILE  60          3HD1      ILE  60  -5.754  -9.040   2.486
   74   2HD1  ILE  60          2HD1      ILE  60  -7.213  -9.613   3.272
   75   3HD1  ILE  60          1HD1      ILE  60  -5.944  -8.859   4.224
   76    H    ILE  61           H        ILE  61  -3.373 -12.342   0.778
   77    HA   ILE  61           HA       ILE  61  -4.233 -14.033  -1.327
   78    HB   ILE  61           HB       ILE  61  -2.332 -13.138  -2.521
   79   1HG1  ILE  61          2HG1      ILE  61  -0.625 -11.814  -1.179
   80   2HG1  ILE  61          1HG1      ILE  61  -1.117 -12.908   0.116
   81   1HG2  ILE  61          3HG2      ILE  61  -4.070 -11.501  -2.069
   82   2HG2  ILE  61          2HG2      ILE  61  -3.280 -11.023  -0.582
   83   3HG2  ILE  61          1HG2      ILE  61  -2.488 -10.760  -2.118
   84   1HD1  ILE  61          2HD1      ILE  61  -0.669 -14.863  -1.411
   85   2HD1  ILE  61          1HD1      ILE  61  -0.215 -13.726  -2.652
   86   3HD1  ILE  61          3HD1      ILE  61   0.735 -13.860  -1.171
   87    H    ARG  62           H        ARG  62  -1.731 -14.435   1.156
   88    HA   ARG  62           HA       ARG  62  -0.507 -16.747   0.218
   89   1HB   ARG  62          2HB       ARG  62  -1.099 -15.641   2.955
   90   2HB   ARG  62          1HB       ARG  62  -0.517 -17.286   2.899
   91   1HG   ARG  62          2HG       ARG  62   0.958 -15.171   1.313
   92   2HG   ARG  62          1HG       ARG  62   1.181 -15.231   3.047
   93   1HD   ARG  62          2HD       ARG  62   2.911 -16.574   1.835
   94   2HD   ARG  62          1HD       ARG  62   1.957 -17.577   2.912
   95    HE   ARG  62           HE       ARG  62   1.381 -17.421  -0.023
   96   1HH1  ARG  62          1HH2      ARG  62   0.205 -19.008   2.513
   97   2HH1  ARG  62          2HH2      ARG  62   0.637 -20.616   2.053
   98   1HH2  ARG  62          2HH1      ARG  62   2.718 -19.513  -0.543
   99   2HH2  ARG  62          1HH1      ARG  62   2.093 -20.906   0.259
  100    H    ILE  63           H        ILE  63  -3.787 -16.549   1.536
  101    HA   ILE  63           HA       ILE  63  -3.945 -19.510   1.276
  102    HB   ILE  63           HB       ILE  63  -5.428 -17.539   3.012
  103   1HG1  ILE  63          2HG1      ILE  63  -4.324 -19.407   4.681
  104   2HG1  ILE  63          1HG1      ILE  63  -3.156 -19.489   3.393
  105   1HG2  ILE  63          2HG2      ILE  63  -5.798 -20.513   2.732
  106   2HG2  ILE  63          1HG2      ILE  63  -6.541 -19.486   3.967
  107   3HG2  ILE  63          3HG2      ILE  63  -6.948 -19.255   2.273
  108   1HD1  ILE  63          3HD1      ILE  63  -2.789 -17.007   3.573
  109   2HD1  ILE  63          2HD1      ILE  63  -3.948 -16.952   4.878
  110   3HD1  ILE  63          1HD1      ILE  63  -2.453 -17.840   5.074
  111    H    LEU  64           H        LEU  64  -5.428 -16.546   0.458
  112    HA   LEU  64           HA       LEU  64  -7.918 -16.942  -0.538
  113   1HB   LEU  64          2HB       LEU  64  -6.694 -14.763  -0.454
  114   2HB   LEU  64          1HB       LEU  64  -5.679 -15.291  -1.772
  115    HG   LEU  64           HG       LEU  64  -7.749 -15.420  -3.230
  116   1HD1  LEU  64          2HD1      LEU  64  -9.030 -13.955  -0.861
  117   2HD1  LEU  64          1HD1      LEU  64  -9.779 -14.208  -2.426
  118   3HD1  LEU  64          3HD1      LEU  64  -9.455 -15.578  -1.387
  119   1HD2  LEU  64          3HD2      LEU  64  -7.091 -12.717  -2.028
  120   2HD2  LEU  64          2HD2      LEU  64  -6.237 -13.503  -3.349
  121   3HD2  LEU  64          1HD2      LEU  64  -7.895 -12.988  -3.560
  122    H    GLN  65           H        GLN  65  -5.598 -16.567  -3.188
  123    HA   GLN  65           HA       GLN  65  -7.113 -18.640  -4.554
  124   1HB   GLN  65          2HB       GLN  65  -5.554 -18.175  -6.463
  125   2HB   GLN  65          1HB       GLN  65  -6.245 -16.684  -5.881
  126   1HG   GLN  65          2HG       GLN  65  -3.499 -17.625  -4.926
  127   2HG   GLN  65          1HG       GLN  65  -3.699 -16.696  -6.398
  128   1HE2  GLN  65          2HE2      GLN  65  -3.696 -14.706  -2.979
  129   2HE2  GLN  65          1HE2      GLN  65  -3.199 -16.323  -3.045
  130    H    GLN  66           H        GLN  66  -5.073 -18.919  -2.139
  131    HA   GLN  66           HA       GLN  66  -3.238 -20.876  -3.320
  132   1HB   GLN  66          2HB       GLN  66  -3.077 -19.450  -1.042
  133   2HB   GLN  66          1HB       GLN  66  -3.942 -20.829  -0.378
  134   1HG   GLN  66          2HG       GLN  66  -1.626 -21.340  -0.043
  135   2HG   GLN  66          1HG       GLN  66  -2.100 -22.310  -1.431
  136   1HE2  GLN  66          2HE2      GLN  66   0.462 -19.174  -1.916
  137   2HE2  GLN  66          1HE2      GLN  66  -0.421 -19.346  -0.470
  138    H    LEU  67           H        LEU  67  -6.329 -20.872  -1.645
  139    HA   LEU  67           HA       LEU  67  -6.433 -23.815  -1.609
  140   1HB   LEU  67          2HB       LEU  67  -8.552 -23.511  -0.488
  141   2HB   LEU  67          1HB       LEU  67  -7.383 -22.442   0.225
  142    HG   LEU  67           HG       LEU  67  -8.413 -20.589  -1.316
  143   1HD1  LEU  67          1HD1      LEU  67  -9.858 -22.162  -2.728
  144   2HD1  LEU  67          3HD1      LEU  67 -10.716 -22.619  -1.275
  145   3HD1  LEU  67          2HD1      LEU  67 -10.813 -20.979  -1.883
  146   1HD2  LEU  67          2HD2      LEU  67 -10.052 -21.787   0.981
  147   2HD2  LEU  67          1HD2      LEU  67  -8.700 -20.679   1.153
  148   3HD2  LEU  67          3HD2      LEU  67 -10.173 -20.138   0.388
  149    H    LEU  68           H        LEU  68  -7.353 -21.215  -3.551
  150    HA   LEU  68           HA       LEU  68  -9.235 -22.739  -5.182
  151   1HB   LEU  68          2HB       LEU  68  -7.805 -20.081  -5.707
  152   2HB   LEU  68          1HB       LEU  68  -9.163 -20.655  -6.631
  153    HG   LEU  68           HG       LEU  68  -9.342 -19.994  -3.639
  154   1HD1  LEU  68          2HD1      LEU  68 -10.279 -18.339  -6.034
  155   2HD1  LEU  68          1HD1      LEU  68 -10.577 -17.964  -4.349
  156   3HD1  LEU  68          3HD1      LEU  68  -8.952 -17.897  -4.979
  157   1HD2  LEU  68          3HD2      LEU  68 -11.502 -20.501  -5.758
  158   2HD2  LEU  68          2HD2      LEU  68 -11.054 -21.643  -4.507
  159   3HD2  LEU  68          1HD2      LEU  68 -11.797 -20.122  -4.070
  160    H    PHE  69           H        PHE  69  -5.894 -21.775  -5.426
  161    HA   PHE  69           HA       PHE  69  -5.636 -22.831  -8.067
  162   1HB   PHE  69          2HB       PHE  69  -3.838 -21.368  -7.350
  163   2HB   PHE  69          1HB       PHE  69  -3.775 -22.087  -5.750
  164    HD1  PHE  69           HD1      PHE  69  -3.040 -22.859  -9.300
  165    HD2  PHE  69           HD2      PHE  69  -2.160 -23.684  -5.225
  166    HE1  PHE  69           HE1      PHE  69  -1.132 -24.240  -9.997
  167    HE2  PHE  69           HE2      PHE  69  -0.257 -25.073  -5.908
  168    HZ   PHE  69           HZ       PHE  69   0.266 -25.360  -8.296
  169    H    ILE  70           H        ILE  70  -5.531 -24.188  -4.885
  170    HA   ILE  70           HA       ILE  70  -4.604 -26.659  -6.092
  171    HB   ILE  70           HB       ILE  70  -4.772 -27.584  -3.823
  172   1HG1  ILE  70          2HG1      ILE  70  -5.061 -25.662  -2.037
  173   2HG1  ILE  70          1HG1      ILE  70  -6.040 -24.964  -3.305
  174   1HG2  ILE  70          3HG2      ILE  70  -2.707 -26.402  -4.572
  175   2HG2  ILE  70          2HG2      ILE  70  -3.376 -24.880  -4.008
  176   3HG2  ILE  70          1HG2      ILE  70  -2.967 -26.133  -2.859
  177   1HD1  ILE  70          1HD1      ILE  70  -7.438 -27.026  -3.383
  178   2HD1  ILE  70          3HD1      ILE  70  -6.409 -27.729  -2.151
  179   3HD1  ILE  70          2HD1      ILE  70  -7.399 -26.315  -1.787
  180    H    HIS  71           H        HIS  71  -7.608 -25.226  -5.159
  181    HA   HIS  71           HA       HIS  71  -9.032 -27.757  -5.305
  182   1HB   HIS  71          2HB       HIS  71 -10.056 -25.610  -4.259
  183   2HB   HIS  71          1HB       HIS  71 -10.248 -24.986  -5.893
  184    HD1  HIS  71           HD1      HIS  71 -12.891 -25.114  -5.162
  185    HD2  HIS  71           HD2      HIS  71 -10.950 -28.740  -5.775
  186    HE1  HIS  71           HE1      HIS  71 -14.589 -26.915  -5.460
  187    H    PHE  72           H        PHE  72  -8.236 -25.219  -7.346
  188    HA   PHE  72           HA       PHE  72  -9.485 -26.136  -9.796
  189   1HB   PHE  72          2HB       PHE  72  -7.300 -24.126  -9.146
  190   2HB   PHE  72          1HB       PHE  72  -7.439 -24.625 -10.799
  191    HD1  PHE  72           HD1      PHE  72  -9.914 -23.740  -8.067
  192    HD2  PHE  72           HD2      PHE  72  -8.676 -23.119 -12.100
  193    HE1  PHE  72           HE1      PHE  72 -11.760 -22.161  -8.395
  194    HE2  PHE  72           HE2      PHE  72 -10.523 -21.540 -12.417
  195    HZ   PHE  72           HZ       PHE  72 -12.069 -21.057 -10.571
  196    H    ARG  73           H        ARG  73  -6.108 -26.258  -8.742
  197    HA   ARG  73           HA       ARG  73  -5.164 -27.945 -10.796
  198   1HB   ARG  73          2HB       ARG  73  -4.314 -27.511  -7.940
  199   2HB   ARG  73          1HB       ARG  73  -3.615 -28.873  -8.765
  200   1HG   ARG  73          2HG       ARG  73  -3.516 -26.033  -9.857
  201   2HG   ARG  73          1HG       ARG  73  -2.229 -26.784  -8.931
  202   1HD   ARG  73          2HD       ARG  73  -2.182 -28.663 -10.680
  203   2HD   ARG  73          1HD       ARG  73  -3.271 -27.690 -11.661
  204    HE   ARG  73           HE       ARG  73  -1.013 -26.115 -10.872
  205   1HH1  ARG  73          1HH2      ARG  73  -0.422 -29.047 -11.972
  206   2HH1  ARG  73          2HH2      ARG  73   0.098 -28.654 -13.576
  207   1HH2  ARG  73          2HH1      ARG  73  -1.101 -25.360 -13.330
  208   2HH2  ARG  73          1HH1      ARG  73  -0.309 -26.496 -14.364
  209    H    ILE  74           H        ILE  74  -6.721 -28.974  -7.766
  210    HA   ILE  74           HA       ILE  74  -6.447 -31.786  -8.483
  211    HB   ILE  74           HB       ILE  74  -8.106 -30.351  -6.336
  212   1HG1  ILE  74          2HG1      ILE  74  -5.365 -31.670  -6.366
  213   2HG1  ILE  74          1HG1      ILE  74  -5.644 -29.977  -6.164
  214   1HG2  ILE  74          3HG2      ILE  74  -8.950 -32.660  -6.826
  215   2HG2  ILE  74          2HG2      ILE  74  -7.339 -33.304  -6.576
  216   3HG2  ILE  74          1HG2      ILE  74  -8.227 -32.591  -5.238
  217   1HD1  ILE  74          2HD1      ILE  74  -6.842 -30.379  -4.016
  218   2HD1  ILE  74          1HD1      ILE  74  -6.478 -32.097  -4.144
  219   3HD1  ILE  74          3HD1      ILE  74  -5.180 -30.939  -3.966
  220    H    GLY  75           H        GLY  75  -8.690 -29.277  -9.103
  221   1HA   GLY  75          2HA       GLY  75 -10.500 -29.293 -10.650
  222   2HA   GLY  75          1HA       GLY  75 -10.221 -31.017 -10.909
  223   1HN   NH2  76          1HT       GLY  75 -11.025 -29.175  -7.949
  224   2HN   NH2  76          2HT       GLY  75 -12.422 -30.092  -7.585
   
  No H/Q in entry =         224
  Start of MODEL    6
    1   1H    ACE  50A         1HA       ACE  50A  7.045   5.571   4.145
    2   2H    ACE  50A         2HA       ACE  50A  8.051   6.082   5.498
    3   3H    ACE  50A         3HA       ACE  50A  6.403   6.690   5.358
    4    H    TYR  50           H        TYR  50   4.703   4.947   5.363
    5    HA   TYR  50           HA       TYR  50   5.440   2.606   7.065
    6   1HB   TYR  50          2HB       TYR  50   3.106   4.530   7.534
    7   2HB   TYR  50          1HB       TYR  50   3.345   3.027   8.402
    8    HD1  TYR  50           HD2      TYR  50   5.286   2.746   9.913
    9    HD2  TYR  50           HD1      TYR  50   4.529   6.482   8.008
   10    HE1  TYR  50           HE2      TYR  50   6.816   3.863  11.476
   11    HE2  TYR  50           HE1      TYR  50   6.056   7.586   9.572
   12    HH   TYR  50           HH       TYR  50   7.959   6.999  11.028
   13    H    GLY  51           H        GLY  51   4.999   2.652   4.278
   14   1HA   GLY  51          2HA       GLY  51   2.271   1.719   3.718
   15   2HA   GLY  51          1HA       GLY  51   3.616   1.704   2.583
   16    H    ASP  52           H        ASP  52   3.213   0.221   5.745
   17    HA   ASP  52           HA       ASP  52   4.090  -2.403   4.613
   18   1HB   ASP  52          2HB       ASP  52   4.492  -3.042   6.988
   19   2HB   ASP  52          1HB       ASP  52   5.316  -1.548   6.606
   20    H    THR  53           H        THR  53   1.231  -1.040   4.700
   21    HA   THR  53           HA       THR  53  -0.439  -2.710   6.225
   22    HB   THR  53           HB       THR  53  -2.161  -1.733   4.409
   23    HG1  THR  53           HG1      THR  53  -1.009  -1.119   2.720
   24   1HG2  THR  53          3HG2      THR  53  -0.219   0.324   5.658
   25   2HG2  THR  53          2HG2      THR  53  -1.865   0.634   5.135
   26   3HG2  THR  53          1HG2      THR  53  -1.568  -0.375   6.539
   27    H    TRP  54           H        TRP  54   0.949  -2.861   3.352
   28    HA   TRP  54           HA       TRP  54  -0.517  -4.868   2.182
   29   1HB   TRP  54          2HB       TRP  54   2.479  -4.220   1.864
   30   2HB   TRP  54          1HB       TRP  54   1.641  -5.322   0.773
   31    HD1  TRP  54           HD1      TRP  54   1.951  -1.556   1.519
   32    HE1  TRP  54           HE1      TRP  54   0.601  -0.247  -0.131
   33    HE3  TRP  54           HE3      TRP  54  -0.498  -5.402  -0.668
   34    HZ2  TRP  54           HZ2      TRP  54  -1.250  -0.731  -2.094
   35    HZ3  TRP  54           HZ3      TRP  54  -2.096  -4.914  -2.486
   36    HH2  TRP  54           HH2      TRP  54  -2.475  -2.574  -3.203
   37    H    ALA  55           H        ALA  55   1.631  -5.157   4.795
   38    HA   ALA  55           HA       ALA  55   2.372  -7.925   4.506
   39   1HB   ALA  55          1HB       ALA  55   3.387  -6.357   6.237
   40   2HB   ALA  55          3HB       ALA  55   1.840  -6.317   7.067
   41   3HB   ALA  55          2HB       ALA  55   2.754  -7.812   6.992
   42    H    GLY  56           H        GLY  56  -0.500  -6.334   5.485
   43   1HA   GLY  56          2HA       GLY  56  -1.824  -8.646   6.677
   44   2HA   GLY  56          1HA       GLY  56  -2.620  -7.130   6.188
   45    H    VAL  57           H        VAL  57  -1.943  -6.883   3.639
   46    HA   VAL  57           HA       VAL  57  -3.751  -8.452   2.212
   47    HB   VAL  57           HB       VAL  57  -1.217  -6.991   1.344
   48   1HG1  VAL  57          2HG1      VAL  57  -3.639  -7.828  -0.319
   49   2HG1  VAL  57          1HG1      VAL  57  -2.308  -6.840  -0.906
   50   3HG1  VAL  57          3HG1      VAL  57  -2.026  -8.516  -0.464
   51   1HG2  VAL  57          3HG2      VAL  57  -2.873  -5.528   2.510
   52   2HG2  VAL  57          2HG2      VAL  57  -2.778  -5.110   0.812
   53   3HG2  VAL  57          1HG2      VAL  57  -4.125  -6.058   1.409
   54    H    GLU  58           H        GLU  58  -0.259  -8.867   2.523
   55    HA   GLU  58           HA       GLU  58  -0.067 -11.247   0.915
   56   1HB   GLU  58          2HB       GLU  58   1.542  -9.954   3.151
   57   2HB   GLU  58          1HB       GLU  58   1.942 -11.610   2.795
   58   1HG   GLU  58          2HG       GLU  58   1.809  -9.612   0.517
   59   2HG   GLU  58          1HG       GLU  58   3.190  -9.575   1.595
   60    H    ALA  59           H        ALA  59  -1.374 -10.884   4.053
   61    HA   ALA  59           HA       ALA  59  -1.120 -13.780   4.587
   62   1HB   ALA  59          1HB       ALA  59  -2.712 -11.580   6.039
   63   2HB   ALA  59          3HB       ALA  59  -2.454 -13.200   6.665
   64   3HB   ALA  59          2HB       ALA  59  -1.096 -12.095   6.480
   65    H    ILE  60           H        ILE  60  -3.161 -11.775   2.892
   66    HA   ILE  60           HA       ILE  60  -5.477 -13.631   3.039
   67    HB   ILE  60           HB       ILE  60  -5.200 -11.170   1.196
   68   1HG1  ILE  60          2HG1      ILE  60  -6.051 -11.117   4.143
   69   2HG1  ILE  60          1HG1      ILE  60  -4.535 -10.512   3.543
   70   1HG2  ILE  60          2HG2      ILE  60  -7.183 -12.674   0.947
   71   2HG2  ILE  60          1HG2      ILE  60  -7.597 -12.412   2.633
   72   3HG2  ILE  60          3HG2      ILE  60  -7.679 -11.083   1.486
   73   1HD1  ILE  60          1HD1      ILE  60  -5.743  -8.849   2.127
   74   2HD1  ILE  60          3HD1      ILE  60  -7.256  -9.404   2.818
   75   3HD1  ILE  60          2HD1      ILE  60  -6.039  -8.670   3.845
   76    H    ILE  61           H        ILE  61  -3.310 -12.239   0.626
   77    HA   ILE  61           HA       ILE  61  -4.008 -13.880  -1.581
   78    HB   ILE  61           HB       ILE  61  -1.959 -13.048  -2.538
   79   1HG1  ILE  61          2HG1      ILE  61  -0.398 -11.760  -1.018
   80   2HG1  ILE  61          1HG1      ILE  61  -1.033 -12.852   0.219
   81   1HG2  ILE  61          3HG2      ILE  61  -3.120 -10.928  -0.725
   82   2HG2  ILE  61          2HG2      ILE  61  -2.124 -10.654  -2.136
   83   3HG2  ILE  61          1HG2      ILE  61  -3.701 -11.395  -2.309
   84   1HD1  ILE  61          2HD1      ILE  61  -0.487 -14.799  -1.377
   85   2HD1  ILE  61          1HD1      ILE  61   0.137 -13.614  -2.481
   86   3HD1  ILE  61          3HD1      ILE  61   0.919 -13.882  -0.921
   87    H    ARG  62           H        ARG  62  -1.598 -14.464   1.030
   88    HA   ARG  62           HA       ARG  62  -0.598 -16.894  -0.046
   89   1HB   ARG  62          2HB       ARG  62  -0.842 -15.840   2.730
   90   2HB   ARG  62          1HB       ARG  62  -0.226 -17.464   2.445
   91   1HG   ARG  62          2HG       ARG  62   1.378 -16.476   0.732
   92   2HG   ARG  62          1HG       ARG  62   0.871 -14.878   1.231
   93   1HD   ARG  62          2HD       ARG  62   2.020 -17.006   3.037
   94   2HD   ARG  62          1HD       ARG  62   2.920 -15.633   2.376
   95    HE   ARG  62           HE       ARG  62   0.871 -14.358   3.610
   96   1HH1  ARG  62          1HH2      ARG  62   3.748 -15.469   4.564
   97   2HH1  ARG  62          2HH2      ARG  62   3.405 -15.740   6.238
   98   1HH2  ARG  62          2HH1      ARG  62  -0.058 -15.348   5.741
   99   2HH2  ARG  62          1HH1      ARG  62   1.164 -15.643   6.923
  100    H    ILE  63           H        ILE  63  -3.772 -16.388   1.391
  101    HA   ILE  63           HA       ILE  63  -4.130 -19.357   1.440
  102    HB   ILE  63           HB       ILE  63  -5.320 -17.058   3.046
  103   1HG1  ILE  63          2HG1      ILE  63  -4.538 -18.987   4.828
  104   2HG1  ILE  63          1HG1      ILE  63  -3.433 -19.357   3.536
  105   1HG2  ILE  63          1HG2      ILE  63  -7.165 -18.544   2.454
  106   2HG2  ILE  63          3HG2      ILE  63  -6.239 -19.918   3.055
  107   3HG2  ILE  63          2HG2      ILE  63  -6.769 -18.647   4.161
  108   1HD1  ILE  63          3HD1      ILE  63  -2.632 -16.976   3.546
  109   2HD1  ILE  63          2HD1      ILE  63  -3.722 -16.662   4.886
  110   3HD1  ILE  63          1HD1      ILE  63  -2.391 -17.784   5.082
  111    H    LEU  64           H        LEU  64  -5.091 -16.484   0.027
  112    HA   LEU  64           HA       LEU  64  -7.694 -16.924  -0.929
  113   1HB   LEU  64          2HB       LEU  64  -6.468 -14.749  -0.924
  114   2HB   LEU  64          1HB       LEU  64  -5.316 -15.379  -2.071
  115    HG   LEU  64           HG       LEU  64  -7.244 -15.618  -3.715
  116   1HD1  LEU  64          2HD1      LEU  64  -8.646 -13.845  -1.653
  117   2HD1  LEU  64          1HD1      LEU  64  -9.272 -14.220  -3.248
  118   3HD1  LEU  64          3HD1      LEU  64  -9.120 -15.490  -2.050
  119   1HD2  LEU  64          2HD2      LEU  64  -5.612 -13.793  -3.891
  120   2HD2  LEU  64          1HD2      LEU  64  -7.212 -13.227  -4.327
  121   3HD2  LEU  64          3HD2      LEU  64  -6.542 -12.827  -2.758
  122    H    GLN  65           H        GLN  65  -5.391 -16.667  -3.458
  123    HA   GLN  65           HA       GLN  65  -6.611 -18.850  -4.840
  124   1HB   GLN  65          2HB       GLN  65  -4.678 -18.462  -6.505
  125   2HB   GLN  65          1HB       GLN  65  -5.611 -17.014  -6.180
  126   1HG   GLN  65          2HG       GLN  65  -3.933 -16.105  -4.749
  127   2HG   GLN  65          1HG       GLN  65  -3.157 -17.657  -4.464
  128   1HE2  GLN  65          2HE2      GLN  65  -1.019 -17.254  -7.189
  129   2HE2  GLN  65          1HE2      GLN  65  -1.402 -18.133  -5.785
  130    H    GLN  66           H        GLN  66  -4.706 -19.096  -2.240
  131    HA   GLN  66           HA       GLN  66  -2.920 -21.154  -3.372
  132   1HB   GLN  66          2HB       GLN  66  -2.836 -19.585  -1.072
  133   2HB   GLN  66          1HB       GLN  66  -3.480 -21.060  -0.395
  134   1HG   GLN  66          2HG       GLN  66  -1.218 -21.497  -0.146
  135   2HG   GLN  66          1HG       GLN  66  -1.405 -22.163  -1.757
  136   1HE2  GLN  66          2HE2      GLN  66  -0.115 -18.734  -2.901
  137   2HE2  GLN  66          1HE2      GLN  66  -1.686 -19.389  -2.995
  138    H    LEU  67           H        LEU  67  -5.940 -20.920  -1.772
  139    HA   LEU  67           HA       LEU  67  -6.187 -23.861  -1.590
  140   1HB   LEU  67          2HB       LEU  67  -8.140 -21.605  -0.947
  141   2HB   LEU  67          1HB       LEU  67  -8.366 -23.290  -0.517
  142    HG   LEU  67           HG       LEU  67  -6.076 -21.502   0.431
  143   1HD1  LEU  67          3HD1      LEU  67  -8.546 -22.587   1.884
  144   2HD1  LEU  67          2HD1      LEU  67  -7.255 -21.690   2.651
  145   3HD1  LEU  67          1HD1      LEU  67  -8.261 -20.909   1.447
  146   1HD2  LEU  67          2HD2      LEU  67  -6.793 -24.369   1.245
  147   2HD2  LEU  67          1HD2      LEU  67  -5.367 -23.901   0.339
  148   3HD2  LEU  67          3HD2      LEU  67  -5.546 -23.391   1.996
  149    H    LEU  68           H        LEU  68  -7.228 -21.198  -3.443
  150    HA   LEU  68           HA       LEU  68  -9.105 -22.794  -4.965
  151   1HB   LEU  68          2HB       LEU  68  -7.790 -20.106  -5.615
  152   2HB   LEU  68          1HB       LEU  68  -9.125 -20.754  -6.486
  153    HG   LEU  68           HG       LEU  68  -9.255 -20.072  -3.489
  154   1HD1  LEU  68          2HD1      LEU  68 -10.289 -18.467  -5.880
  155   2HD1  LEU  68          1HD1      LEU  68 -10.553 -18.071  -4.193
  156   3HD1  LEU  68          3HD1      LEU  68  -8.938 -18.003  -4.862
  157   1HD2  LEU  68          1HD2      LEU  68 -11.463 -20.689  -5.529
  158   2HD2  LEU  68          3HD2      LEU  68 -10.927 -21.789  -4.271
  159   3HD2  LEU  68          2HD2      LEU  68 -11.714 -20.290  -3.839
  160    H    PHE  69           H        PHE  69  -5.747 -21.892  -5.393
  161    HA   PHE  69           HA       PHE  69  -5.757 -22.951  -8.082
  162   1HB   PHE  69          2HB       PHE  69  -3.838 -21.538  -7.558
  163   2HB   PHE  69          1HB       PHE  69  -3.628 -22.288  -5.984
  164    HD1  PHE  69           HD2      PHE  69  -3.396 -23.117  -9.601
  165    HD2  PHE  69           HD1      PHE  69  -2.001 -23.916  -5.666
  166    HE1  PHE  69           HE2      PHE  69  -1.655 -24.593 -10.523
  167    HE2  PHE  69           HE1      PHE  69  -0.265 -25.399  -6.577
  168    HZ   PHE  69           HZ       PHE  69  -0.084 -25.739  -9.004
  169    H    ILE  70           H        ILE  70  -5.389 -24.295  -4.901
  170    HA   ILE  70           HA       ILE  70  -4.564 -26.782  -6.171
  171    HB   ILE  70           HB       ILE  70  -4.493 -27.671  -3.892
  172   1HG1  ILE  70          2HG1      ILE  70  -4.685 -25.792  -2.081
  173   2HG1  ILE  70          1HG1      ILE  70  -5.751 -25.061  -3.251
  174   1HG2  ILE  70          2HG2      ILE  70  -2.545 -26.435  -4.821
  175   2HG2  ILE  70          1HG2      ILE  70  -3.203 -24.923  -4.220
  176   3HG2  ILE  70          3HG2      ILE  70  -2.665 -26.153  -3.099
  177   1HD1  ILE  70          3HD1      ILE  70  -6.051 -27.857  -2.125
  178   2HD1  ILE  70          2HD1      ILE  70  -6.986 -26.437  -1.644
  179   3HD1  ILE  70          1HD1      ILE  70  -7.176 -27.118  -3.243
  180    H    HIS  71           H        HIS  71  -7.419 -25.282  -4.940
  181    HA   HIS  71           HA       HIS  71  -8.945 -27.744  -5.013
  182   1HB   HIS  71          2HB       HIS  71  -9.695 -25.579  -3.772
  183   2HB   HIS  71          1HB       HIS  71 -10.094 -24.910  -5.349
  184    HD1  HIS  71           HD1      HIS  71 -12.482 -24.953  -3.893
  185    HD2  HIS  71           HD2      HIS  71 -11.094 -28.525  -5.498
  186    HE1  HIS  71           HE1      HIS  71 -14.373 -26.576  -4.040
  187    H    PHE  72           H        PHE  72  -8.176 -25.260  -7.157
  188    HA   PHE  72           HA       PHE  72  -9.870 -26.219  -9.354
  189   1HB   PHE  72          2HB       PHE  72  -7.923 -23.958  -9.031
  190   2HB   PHE  72          1HB       PHE  72  -7.960 -24.600 -10.629
  191    HD1  PHE  72           HD2      PHE  72 -10.126 -23.256  -7.906
  192    HD2  PHE  72           HD1      PHE  72  -9.859 -24.209 -12.051
  193    HE1  PHE  72           HE2      PHE  72 -12.268 -22.113  -8.309
  194    HE2  PHE  72           HE1      PHE  72 -11.994 -23.070 -12.450
  195    HZ   PHE  72           HZ       PHE  72 -13.206 -22.020 -10.588
  196    H    ARG  73           H        ARG  73  -6.412 -26.351  -8.666
  197    HA   ARG  73           HA       ARG  73  -5.643 -27.751 -10.991
  198   1HB   ARG  73          2HB       ARG  73  -3.951 -26.961  -9.418
  199   2HB   ARG  73          1HB       ARG  73  -4.557 -28.024  -8.160
  200   1HG   ARG  73          2HG       ARG  73  -3.837 -30.021  -9.364
  201   2HG   ARG  73          1HG       ARG  73  -3.491 -29.101 -10.817
  202   1HD   ARG  73          2HD       ARG  73  -2.031 -28.665  -8.186
  203   2HD   ARG  73          1HD       ARG  73  -1.442 -29.727  -9.463
  204    HE   ARG  73           HE       ARG  73  -1.836 -26.779  -9.722
  205   1HH1  ARG  73          1HH2      ARG  73  -2.015 -27.892 -12.341
  206   2HH1  ARG  73          2HH2      ARG  73  -0.379 -28.033 -12.885
  207   1HH2  ARG  73          2HH1      ARG  73   0.897 -27.785  -9.623
  208   2HH2  ARG  73          1HH1      ARG  73   1.339 -27.969 -11.286
  209    H    ILE  74           H        ILE  74  -6.970 -29.130  -7.978
  210    HA   ILE  74           HA       ILE  74  -7.014 -31.775  -9.334
  211    HB   ILE  74           HB       ILE  74  -7.469 -31.082  -6.395
  212   1HG1  ILE  74          2HG1      ILE  74  -4.932 -31.751  -7.985
  213   2HG1  ILE  74          1HG1      ILE  74  -5.236 -30.315  -7.048
  214   1HG2  ILE  74          3HG2      ILE  74  -8.317 -33.299  -7.191
  215   2HG2  ILE  74          2HG2      ILE  74  -6.720 -33.671  -7.824
  216   3HG2  ILE  74          1HG2      ILE  74  -6.970 -33.490  -6.085
  217   1HD1  ILE  74          2HD1      ILE  74  -5.244 -31.612  -4.948
  218   2HD1  ILE  74          1HD1      ILE  74  -4.908 -33.088  -5.842
  219   3HD1  ILE  74          3HD1      ILE  74  -3.725 -31.797  -5.812
  220    H    GLY  75           H        GLY  75  -9.201 -29.360  -8.075
  221   1HA   GLY  75          2HA       GLY  75 -11.534 -31.151  -8.655
  222   2HA   GLY  75          1HA       GLY  75 -11.565 -29.764  -7.571
  223   1HN   NH2  76          1HT       GLY  75  -9.838 -28.868 -10.337
  224   2HN   NH2  76          2HT       GLY  75 -11.128 -28.138 -11.162
   
  No H/Q in entry =         224
  Start of MODEL    7
    1   1H    ACE  50A         1HA       ACE  50A  8.100   2.127   5.798
    2   2H    ACE  50A         2HA       ACE  50A  8.115   3.887   6.013
    3   3H    ACE  50A         3HA       ACE  50A  7.931   3.187   4.396
    4    H    TYR  50           H        TYR  50   6.085   4.969   5.132
    5    HA   TYR  50           HA       TYR  50   3.789   3.814   6.509
    6   1HB   TYR  50          2HB       TYR  50   3.967   6.332   4.756
    7   2HB   TYR  50          1HB       TYR  50   2.621   5.915   5.789
    8    HD1  TYR  50           HD1      TYR  50   3.071   5.642   8.317
    9    HD2  TYR  50           HD2      TYR  50   5.890   7.486   5.695
   10    HE1  TYR  50           HE1      TYR  50   4.189   6.680  10.228
   11    HE2  TYR  50           HE2      TYR  50   6.996   8.510   7.627
   12    HH   TYR  50           HH       TYR  50   6.368   7.563  10.814
   13    H    GLY  51           H        GLY  51   4.138   1.883   4.847
   14   1HA   GLY  51          2HA       GLY  51   1.700   1.802   3.290
   15   2HA   GLY  51          1HA       GLY  51   3.069   2.041   2.218
   16    H    ASP  52           H        ASP  52   3.660   0.063   4.987
   17    HA   ASP  52           HA       ASP  52   4.015  -2.279   3.215
   18   1HB   ASP  52          2HB       ASP  52   5.083  -3.308   5.188
   19   2HB   ASP  52          1HB       ASP  52   5.680  -1.663   5.042
   20    H    THR  53           H        THR  53   1.301  -1.159   3.803
   21    HA   THR  53           HA       THR  53  -0.038  -2.846   5.580
   22    HB   THR  53           HB       THR  53  -1.428  -1.505   3.184
   23    HG1  THR  53           HG1      THR  53  -0.874   0.352   5.000
   24   1HG2  THR  53          3HG2      THR  53  -1.866  -1.220   6.230
   25   2HG2  THR  53          2HG2      THR  53  -2.947  -0.656   4.965
   26   3HG2  THR  53          1HG2      THR  53  -2.739  -2.373   5.240
   27    H    TRP  54           H        TRP  54   1.004  -3.077   2.576
   28    HA   TRP  54           HA       TRP  54  -0.729  -5.027   1.613
   29   1HB   TRP  54          2HB       TRP  54   2.200  -4.463   0.893
   30   2HB   TRP  54          1HB       TRP  54   1.232  -5.619  -0.025
   31    HD1  TRP  54           HD1      TRP  54   1.620  -1.841   0.513
   32    HE1  TRP  54           HE1      TRP  54   0.090  -0.596  -1.020
   33    HE3  TRP  54           HE3      TRP  54  -1.065  -5.775  -1.178
   34    HZ2  TRP  54           HZ2      TRP  54  -1.991  -1.167  -2.718
   35    HZ3  TRP  54           HZ3      TRP  54  -2.871  -5.366  -2.807
   36    HH2  TRP  54           HH2      TRP  54  -3.345  -3.056  -3.585
   37    H    ALA  55           H        ALA  55   1.727  -5.342   3.933
   38    HA   ALA  55           HA       ALA  55   2.321  -8.137   3.575
   39   1HB   ALA  55          1HB       ALA  55   2.266  -6.482   6.141
   40   2HB   ALA  55          3HB       ALA  55   3.057  -8.042   5.960
   41   3HB   ALA  55          2HB       ALA  55   3.657  -6.643   5.078
   42    H    GLY  56           H        GLY  56  -0.311  -6.383   4.893
   43   1HA   GLY  56          2HA       GLY  56  -1.547  -8.566   6.389
   44   2HA   GLY  56          1HA       GLY  56  -2.360  -7.061   5.899
   45    H    VAL  57           H        VAL  57  -2.036  -6.990   3.290
   46    HA   VAL  57           HA       VAL  57  -4.047  -8.589   2.219
   47    HB   VAL  57           HB       VAL  57  -1.638  -7.230   0.948
   48   1HG1  VAL  57          2HG1      VAL  57  -4.200  -8.234  -0.371
   49   2HG1  VAL  57          1HG1      VAL  57  -2.962  -7.276  -1.174
   50   3HG1  VAL  57          3HG1      VAL  57  -2.594  -8.905  -0.631
   51   1HG2  VAL  57          2HG2      VAL  57  -3.182  -5.707   2.168
   52   2HG2  VAL  57          1HG2      VAL  57  -3.262  -5.407   0.443
   53   3HG2  VAL  57          3HG2      VAL  57  -4.533  -6.322   1.234
   54    H    GLU  58           H        GLU  58  -0.550  -9.025   1.959
   55    HA   GLU  58           HA       GLU  58  -0.670 -11.480   0.533
   56   1HB   GLU  58          2HB       GLU  58   1.366  -9.992   2.166
   57   2HB   GLU  58          1HB       GLU  58   1.673 -11.708   2.104
   58   1HG   GLU  58          2HG       GLU  58   1.224 -10.009  -0.394
   59   2HG   GLU  58          1HG       GLU  58   2.810 -10.310   0.292
   60    H    ALA  59           H        ALA  59  -1.350 -10.922   3.857
   61    HA   ALA  59           HA       ALA  59  -0.878 -13.712   4.627
   62   1HB   ALA  59          2HB       ALA  59  -2.615 -11.585   5.995
   63   2HB   ALA  59          1HB       ALA  59  -2.131 -13.120   6.696
   64   3HB   ALA  59          3HB       ALA  59  -0.924 -11.893   6.353
   65    H    ILE  60           H        ILE  60  -3.350 -11.907   3.155
   66    HA   ILE  60           HA       ILE  60  -5.466 -13.901   3.563
   67    HB   ILE  60           HB       ILE  60  -5.535 -11.614   1.504
   68   1HG1  ILE  60          2HG1      ILE  60  -6.039 -11.254   4.504
   69   2HG1  ILE  60          1HG1      ILE  60  -4.616 -10.706   3.680
   70   1HG2  ILE  60          2HG2      ILE  60  -7.466 -13.224   1.679
   71   2HG2  ILE  60          1HG2      ILE  60  -7.665 -12.786   3.368
   72   3HG2  ILE  60          3HG2      ILE  60  -7.954 -11.599   2.110
   73   1HD1  ILE  60          3HD1      ILE  60  -5.967  -9.265   2.208
   74   2HD1  ILE  60          2HD1      ILE  60  -7.411  -9.749   3.082
   75   3HD1  ILE  60          1HD1      ILE  60  -6.130  -8.883   3.912
   76    H    ILE  61           H        ILE  61  -3.580 -12.650   0.833
   77    HA   ILE  61           HA       ILE  61  -4.512 -14.577  -1.060
   78    HB   ILE  61           HB       ILE  61  -2.752 -13.775  -2.443
   79   1HG1  ILE  61          2HG1      ILE  61  -0.964 -12.284  -1.371
   80   2HG1  ILE  61          1HG1      ILE  61  -1.353 -13.238   0.067
   81   1HG2  ILE  61          1HG2      ILE  61  -4.480 -12.090  -1.980
   82   2HG2  ILE  61          3HG2      ILE  61  -3.555 -11.470  -0.634
   83   3HG2  ILE  61          2HG2      ILE  61  -2.928 -11.330  -2.258
   84   1HD1  ILE  61          3HD1      ILE  61  -0.949 -15.331  -1.232
   85   2HD1  ILE  61          2HD1      ILE  61  -0.606 -14.349  -2.634
   86   3HD1  ILE  61          1HD1      ILE  61   0.442 -14.282  -1.215
   87    H    ARG  62           H        ARG  62  -2.059 -14.607   1.445
   88    HA   ARG  62           HA       ARG  62  -0.621 -16.866   0.824
   89   1HB   ARG  62          2HB       ARG  62  -1.065 -15.348   3.219
   90   2HB   ARG  62          1HB       ARG  62  -1.378 -17.000   3.648
   91   1HG   ARG  62          2HG       ARG  62   0.953 -16.577   4.011
   92   2HG   ARG  62          1HG       ARG  62   0.790 -17.697   2.668
   93   1HD   ARG  62          2HD       ARG  62   0.944 -15.532   1.156
   94   2HD   ARG  62          1HD       ARG  62   1.551 -14.762   2.619
   95    HE   ARG  62           HE       ARG  62   3.025 -17.127   2.346
   96   1HH1  ARG  62          1HH2      ARG  62   2.504 -16.282  -0.534
   97   2HH1  ARG  62          2HH2      ARG  62   3.929 -15.376  -0.902
   98   1HH2  ARG  62          2HH1      ARG  62   4.775 -15.064   2.503
   99   2HH2  ARG  62          1HH1      ARG  62   5.252 -14.639   0.898
  100    H    ILE  63           H        ILE  63  -3.939 -16.744   1.894
  101    HA   ILE  63           HA       ILE  63  -4.026 -19.759   1.831
  102    HB   ILE  63           HB       ILE  63  -4.276 -18.850   4.063
  103   1HG1  ILE  63          2HG1      ILE  63  -7.102 -19.555   3.293
  104   2HG1  ILE  63          1HG1      ILE  63  -5.822 -20.689   2.962
  105   1HG2  ILE  63          2HG2      ILE  63  -6.617 -17.259   2.973
  106   2HG2  ILE  63          1HG2      ILE  63  -6.197 -17.435   4.670
  107   3HG2  ILE  63          3HG2      ILE  63  -5.100 -16.596   3.588
  108   1HD1  ILE  63          3HD1      ILE  63  -6.349 -19.463   5.692
  109   2HD1  ILE  63          2HD1      ILE  63  -6.815 -21.088   5.196
  110   3HD1  ILE  63          1HD1      ILE  63  -5.117 -20.658   5.306
  111    H    LEU  64           H        LEU  64  -5.475 -16.833   0.641
  112    HA   LEU  64           HA       LEU  64  -7.926 -17.951  -0.343
  113   1HB   LEU  64          2HB       LEU  64  -7.643 -15.541  -0.071
  114   2HB   LEU  64          1HB       LEU  64  -6.330 -15.521  -1.224
  115    HG   LEU  64           HG       LEU  64  -7.847 -16.262  -3.004
  116   1HD1  LEU  64          2HD1      LEU  64 -10.075 -16.148  -0.911
  117   2HD1  LEU  64          1HD1      LEU  64 -10.319 -16.328  -2.638
  118   3HD1  LEU  64          3HD1      LEU  64  -9.497 -17.583  -1.749
  119   1HD2  LEU  64          2HD2      LEU  64  -8.888 -13.827  -1.471
  120   2HD2  LEU  64          1HD2      LEU  64  -7.602 -13.815  -2.663
  121   3HD2  LEU  64          3HD2      LEU  64  -9.249 -14.162  -3.156
  122    H    GLN  65           H        GLN  65  -5.247 -16.811  -2.393
  123    HA   GLN  65           HA       GLN  65  -6.097 -18.633  -4.411
  124   1HB   GLN  65          2HB       GLN  65  -3.389 -17.243  -4.040
  125   2HB   GLN  65          1HB       GLN  65  -3.849 -18.102  -5.486
  126   1HG   GLN  65          2HG       GLN  65  -4.489 -15.988  -6.210
  127   2HG   GLN  65          1HG       GLN  65  -5.973 -16.376  -5.358
  128   1HE2  GLN  65          2HE2      GLN  65  -3.985 -13.226  -4.129
  129   2HE2  GLN  65          1HE2      GLN  65  -3.871 -13.909  -5.681
  130    H    GLN  66           H        GLN  66  -4.507 -19.385  -1.573
  131    HA   GLN  66           HA       GLN  66  -2.938 -21.507  -2.969
  132   1HB   GLN  66          2HB       GLN  66  -3.290 -20.699  -0.053
  133   2HB   GLN  66          1HB       GLN  66  -2.723 -22.306  -0.409
  134   1HG   GLN  66          2HG       GLN  66  -0.851 -20.640  -0.111
  135   2HG   GLN  66          1HG       GLN  66  -0.776 -21.410  -1.682
  136   1HE2  GLN  66          2HE2      GLN  66  -1.225 -17.422  -1.436
  137   2HE2  GLN  66          1HE2      GLN  66  -0.949 -18.433  -0.086
  138    H    LEU  67           H        LEU  67  -5.985 -21.027  -1.455
  139    HA   LEU  67           HA       LEU  67  -6.621 -23.923  -1.421
  140   1HB   LEU  67          2HB       LEU  67  -8.298 -21.445  -0.846
  141   2HB   LEU  67          1HB       LEU  67  -8.852 -23.097  -0.627
  142    HG   LEU  67           HG       LEU  67  -6.363 -21.940   0.685
  143   1HD1  LEU  67          2HD1      LEU  67  -9.181 -22.408   1.853
  144   2HD1  LEU  67          1HD1      LEU  67  -7.783 -21.898   2.781
  145   3HD1  LEU  67          3HD1      LEU  67  -8.450 -20.838   1.561
  146   1HD2  LEU  67          3HD2      LEU  67  -7.887 -24.538   1.241
  147   2HD2  LEU  67          2HD2      LEU  67  -6.293 -24.435   0.523
  148   3HD2  LEU  67          1HD2      LEU  67  -6.526 -23.952   2.180
  149    H    LEU  68           H        LEU  68  -7.202 -21.073  -3.214
  150    HA   LEU  68           HA       LEU  68  -9.029 -22.437  -5.018
  151   1HB   LEU  68          2HB       LEU  68  -7.555 -19.758  -5.107
  152   2HB   LEU  68          1HB       LEU  68  -8.556 -20.247  -6.451
  153    HG   LEU  68           HG       LEU  68  -9.502 -19.846  -3.548
  154   1HD1  LEU  68          2HD1      LEU  68  -8.889 -17.713  -4.725
  155   2HD1  LEU  68          1HD1      LEU  68  -9.967 -18.130  -6.048
  156   3HD1  LEU  68          3HD1      LEU  68 -10.612 -17.808  -4.447
  157   1HD2  LEU  68          2HD2      LEU  68 -11.134 -20.340  -6.113
  158   2HD2  LEU  68          1HD2      LEU  68 -10.917 -21.530  -4.844
  159   3HD2  LEU  68          3HD2      LEU  68 -11.803 -20.061  -4.520
  160    H    PHE  69           H        PHE  69  -5.592 -21.767  -5.017
  161    HA   PHE  69           HA       PHE  69  -5.323 -22.675  -7.734
  162   1HB   PHE  69          2HB       PHE  69  -3.286 -21.545  -6.945
  163   2HB   PHE  69          1HB       PHE  69  -3.417 -22.251  -5.350
  164    HD1  PHE  69           HD2      PHE  69  -2.744 -23.290  -8.887
  165    HD2  PHE  69           HD1      PHE  69  -2.049 -24.042  -4.750
  166    HE1  PHE  69           HE2      PHE  69  -1.129 -25.031  -9.472
  167    HE2  PHE  69           HE1      PHE  69  -0.437 -25.786  -5.341
  168    HZ   PHE  69           HZ       PHE  69   0.037 -26.289  -7.706
  169    H    ILE  70           H        ILE  70  -5.466 -24.240  -4.601
  170    HA   ILE  70           HA       ILE  70  -4.744 -26.705  -5.951
  171    HB   ILE  70           HB       ILE  70  -5.197 -27.791  -3.791
  172   1HG1  ILE  70          2HG1      ILE  70  -5.401 -25.992  -1.863
  173   2HG1  ILE  70          1HG1      ILE  70  -6.207 -25.105  -3.132
  174   1HG2  ILE  70          3HG2      ILE  70  -2.972 -26.880  -4.303
  175   2HG2  ILE  70          2HG2      ILE  70  -3.447 -25.311  -3.676
  176   3HG2  ILE  70          1HG2      ILE  70  -3.304 -26.680  -2.593
  177   1HD1  ILE  70          3HD1      ILE  70  -7.809 -26.982  -3.467
  178   2HD1  ILE  70          2HD1      ILE  70  -6.961 -27.902  -2.242
  179   3HD1  ILE  70          1HD1      ILE  70  -7.826 -26.427  -1.812
  180    H    HIS  71           H        HIS  71  -7.634 -25.010  -5.044
  181    HA   HIS  71           HA       HIS  71  -9.309 -27.315  -5.496
  182   1HB   HIS  71          2HB       HIS  71 -10.020 -25.184  -4.257
  183   2HB   HIS  71          1HB       HIS  71 -10.036 -24.371  -5.822
  184    HD1  HIS  71           HD1      HIS  71 -11.974 -26.811  -3.807
  185    HD2  HIS  71           HD2      HIS  71 -11.972 -25.124  -7.598
  186    HE1  HIS  71           HE1      HIS  71 -14.166 -27.309  -4.911
  187    H    PHE  72           H        PHE  72  -8.102 -24.783  -7.340
  188    HA   PHE  72           HA       PHE  72  -9.469 -25.542  -9.834
  189   1HB   PHE  72          2HB       PHE  72  -7.621 -23.333  -9.027
  190   2HB   PHE  72          1HB       PHE  72  -7.427 -23.786 -10.663
  191    HD1  PHE  72           HD1      PHE  72  -9.724 -22.438  -8.147
  192    HD2  PHE  72           HD2      PHE  72  -9.408 -23.586 -12.240
  193    HE1  PHE  72           HE1      PHE  72 -11.829 -21.253  -8.648
  194    HE2  PHE  72           HE2      PHE  72 -11.500 -22.412 -12.732
  195    HZ   PHE  72           HZ       PHE  72 -12.718 -21.240 -10.945
  196    H    ARG  73           H        ARG  73  -6.185 -25.892  -8.646
  197    HA   ARG  73           HA       ARG  73  -5.194 -27.064 -11.074
  198   1HB   ARG  73          2HB       ARG  73  -3.712 -26.208  -9.209
  199   2HB   ARG  73          1HB       ARG  73  -4.221 -27.559  -8.208
  200   1HG   ARG  73          2HG       ARG  73  -2.104 -28.114  -9.171
  201   2HG   ARG  73          1HG       ARG  73  -3.296 -29.119  -9.974
  202   1HD   ARG  73          2HD       ARG  73  -3.336 -27.351 -11.878
  203   2HD   ARG  73          1HD       ARG  73  -1.991 -26.567 -11.066
  204    HE   ARG  73           HE       ARG  73  -1.711 -28.675 -12.864
  205   1HH1  ARG  73          1HH2      ARG  73   0.222 -27.140 -10.821
  206   2HH1  ARG  73          2HH2      ARG  73   1.172 -28.488 -10.305
  207   1HH2  ARG  73          2HH1      ARG  73  -1.073 -30.817 -11.706
  208   2HH2  ARG  73          1HH1      ARG  73   0.410 -30.663 -10.835
  209    H    ILE  74           H        ILE  74  -6.717 -28.456  -8.176
  210    HA   ILE  74           HA       ILE  74  -6.522 -31.148  -9.329
  211    HB   ILE  74           HB       ILE  74  -7.870 -30.165  -6.766
  212   1HG1  ILE  74          2HG1      ILE  74  -5.041 -31.204  -7.318
  213   2HG1  ILE  74          1HG1      ILE  74  -5.447 -29.590  -6.817
  214   1HG2  ILE  74          1HG2      ILE  74  -8.609 -32.423  -7.525
  215   2HG2  ILE  74          3HG2      ILE  74  -6.930 -32.933  -7.630
  216   3HG2  ILE  74          2HG2      ILE  74  -7.645 -32.538  -6.069
  217   1HD1  ILE  74          2HD1      ILE  74  -6.312 -30.420  -4.637
  218   2HD1  ILE  74          1HD1      ILE  74  -5.872 -32.062  -5.081
  219   3HD1  ILE  74          3HD1      ILE  74  -4.628 -30.848  -4.878
  220    H    GLY  75           H        GLY  75  -9.118 -28.830  -8.587
  221   1HA   GLY  75          2HA       GLY  75 -11.030 -30.562 -10.121
  222   2HA   GLY  75          1HA       GLY  75 -11.493 -29.418  -8.876
  223   1HN   NH2  76          1HT       GLY  75  -9.132 -28.220 -11.153
  224   2HN   NH2  76          2HT       GLY  75 -10.233 -27.278 -12.029
   
  No H/Q in entry =         224
  Start of MODEL    8
    1   1H    ACE  50A         1HA       ACE  50A  8.912   0.044   6.280
    2   2H    ACE  50A         2HA       ACE  50A 10.079   1.368   6.414
    3   3H    ACE  50A         3HA       ACE  50A  9.822   0.570   4.865
    4    H    TYR  50           H        TYR  50   7.737   1.994   7.337
    5    HA   TYR  50           HA       TYR  50   5.828   3.333   7.171
    6   1HB   TYR  50          2HB       TYR  50   7.831   4.927   6.793
    7   2HB   TYR  50          1HB       TYR  50   7.486   4.789   5.074
    8    HD1  TYR  50           HD2      TYR  50   5.851   5.657   8.330
    9    HD2  TYR  50           HD1      TYR  50   5.818   6.180   4.102
   10    HE1  TYR  50           HE2      TYR  50   4.087   7.342   8.544
   11    HE2  TYR  50           HE1      TYR  50   4.059   7.864   4.327
   12    HH   TYR  50           HH       TYR  50   3.262   9.468   6.165
   13    H    GLY  51           H        GLY  51   5.093   1.254   5.962
   14   1HA   GLY  51          2HA       GLY  51   2.962   1.578   4.354
   15   2HA   GLY  51          1HA       GLY  51   4.221   1.848   3.162
   16    H    ASP  52           H        ASP  52   4.684  -0.489   5.670
   17    HA   ASP  52           HA       ASP  52   4.827  -2.652   3.653
   18   1HB   ASP  52          2HB       ASP  52   5.864  -3.964   5.512
   19   2HB   ASP  52          1HB       ASP  52   6.671  -2.416   5.369
   20    H    THR  53           H        THR  53   2.341  -1.756   3.774
   21    HA   THR  53           HA       THR  53   0.791  -3.209   5.728
   22    HB   THR  53           HB       THR  53  -1.128  -2.054   4.282
   23    HG1  THR  53           HG1      THR  53  -0.273  -1.449   2.397
   24   1HG2  THR  53          3HG2      THR  53   1.198  -0.192   5.100
   25   2HG2  THR  53          2HG2      THR  53  -0.480   0.280   4.909
   26   3HG2  THR  53          1HG2      THR  53  -0.008  -0.759   6.242
   27    H    TRP  54           H        TRP  54   1.565  -3.394   2.626
   28    HA   TRP  54           HA       TRP  54  -0.261  -5.260   1.729
   29   1HB   TRP  54          2HB       TRP  54   2.689  -4.937   0.916
   30   2HB   TRP  54          1HB       TRP  54   1.540  -5.885  -0.028
   31    HD1  TRP  54           HD1      TRP  54   2.464  -2.233   0.676
   32    HE1  TRP  54           HE1      TRP  54   0.977  -0.709  -0.651
   33    HE3  TRP  54           HE3      TRP  54  -0.863  -5.669  -0.931
   34    HZ2  TRP  54           HZ2      TRP  54  -1.297  -0.901  -2.164
   35    HZ3  TRP  54           HZ3      TRP  54  -2.744  -4.931  -2.357
   36    HH2  TRP  54           HH2      TRP  54  -2.959  -2.546  -2.974
   37    H    ALA  55           H        ALA  55   2.173  -5.891   3.939
   38    HA   ALA  55           HA       ALA  55   2.535  -8.715   3.464
   39   1HB   ALA  55          2HB       ALA  55   4.044  -7.367   5.000
   40   2HB   ALA  55          1HB       ALA  55   2.697  -7.149   6.107
   41   3HB   ALA  55          3HB       ALA  55   3.363  -8.749   5.841
   42    H    GLY  56           H        GLY  56   0.142  -6.799   5.024
   43   1HA   GLY  56          2HA       GLY  56  -1.251  -8.946   6.419
   44   2HA   GLY  56          1HA       GLY  56  -1.935  -7.346   6.042
   45    H    VAL  57           H        VAL  57  -1.740  -7.152   3.445
   46    HA   VAL  57           HA       VAL  57  -3.905  -8.508   2.374
   47    HB   VAL  57           HB       VAL  57  -1.409  -7.303   1.097
   48   1HG1  VAL  57          1HG1      VAL  57  -4.088  -7.962  -0.222
   49   2HG1  VAL  57          3HG1      VAL  57  -2.769  -7.089  -0.994
   50   3HG1  VAL  57          2HG1      VAL  57  -2.565  -8.774  -0.557
   51   1HG2  VAL  57          2HG2      VAL  57  -2.741  -5.699   2.439
   52   2HG2  VAL  57          1HG2      VAL  57  -2.850  -5.302   0.737
   53   3HG2  VAL  57          3HG2      VAL  57  -4.184  -6.116   1.537
   54    H    GLU  58           H        GLU  58  -0.465  -9.261   1.909
   55    HA   GLU  58           HA       GLU  58  -0.823 -11.634   0.403
   56   1HB   GLU  58          2HB       GLU  58   1.325 -10.322   2.043
   57   2HB   GLU  58          1HB       GLU  58   1.491 -12.052   2.055
   58   1HG   GLU  58          2HG       GLU  58   1.070 -10.787  -0.635
   59   2HG   GLU  58          1HG       GLU  58   2.604 -10.468   0.152
   60    H    ALA  59           H        ALA  59  -1.327 -11.197   3.778
   61    HA   ALA  59           HA       ALA  59  -1.134 -14.045   4.395
   62   1HB   ALA  59          2HB       ALA  59  -0.989 -12.283   6.188
   63   2HB   ALA  59          1HB       ALA  59  -2.656 -11.831   5.873
   64   3HB   ALA  59          3HB       ALA  59  -2.287 -13.419   6.522
   65    H    ILE  60           H        ILE  60  -3.475 -11.970   3.074
   66    HA   ILE  60           HA       ILE  60  -5.722 -13.824   3.447
   67    HB   ILE  60           HB       ILE  60  -5.684 -11.478   1.487
   68   1HG1  ILE  60          2HG1      ILE  60  -6.136 -11.129   4.495
   69   2HG1  ILE  60          1HG1      ILE  60  -4.633 -10.729   3.727
   70   1HG2  ILE  60          2HG2      ILE  60  -7.713 -12.940   1.644
   71   2HG2  ILE  60          1HG2      ILE  60  -7.836 -12.594   3.362
   72   3HG2  ILE  60          3HG2      ILE  60  -8.074 -11.315   2.186
   73   1HD1  ILE  60          3HD1      ILE  60  -5.795  -9.193   2.201
   74   2HD1  ILE  60          2HD1      ILE  60  -7.296  -9.497   3.061
   75   3HD1  ILE  60          1HD1      ILE  60  -5.936  -8.760   3.898
   76    H    ILE  61           H        ILE  61  -3.837 -12.595   0.720
   77    HA   ILE  61           HA       ILE  61  -5.024 -14.329  -1.233
   78    HB   ILE  61           HB       ILE  61  -3.280 -13.460  -2.655
   79   1HG1  ILE  61          2HG1      ILE  61  -1.337 -12.216  -1.505
   80   2HG1  ILE  61          1HG1      ILE  61  -1.692 -13.360  -0.207
   81   1HG2  ILE  61          2HG2      ILE  61  -4.838 -11.731  -1.968
   82   2HG2  ILE  61          1HG2      ILE  61  -3.817 -11.304  -0.609
   83   3HG2  ILE  61          3HG2      ILE  61  -3.237 -11.080  -2.242
   84   1HD1  ILE  61          2HD1      ILE  61  -1.595 -15.234  -1.853
   85   2HD1  ILE  61          1HD1      ILE  61  -1.254 -14.056  -3.103
   86   3HD1  ILE  61          3HD1      ILE  61  -0.103 -14.335  -1.806
   87    H    ARG  62           H        ARG  62  -2.381 -14.737   1.080
   88    HA   ARG  62           HA       ARG  62  -1.227 -17.136   0.147
   89   1HB   ARG  62          2HB       ARG  62  -0.287 -15.833   1.851
   90   2HB   ARG  62          1HB       ARG  62  -1.657 -16.084   2.914
   91   1HG   ARG  62          2HG       ARG  62  -0.942 -18.148   3.529
   92   2HG   ARG  62          1HG       ARG  62  -0.491 -18.608   1.895
   93   1HD   ARG  62          2HD       ARG  62   1.181 -16.593   3.323
   94   2HD   ARG  62          1HD       ARG  62   1.382 -18.323   3.665
   95    HE   ARG  62           HE       ARG  62   1.730 -18.572   1.158
   96   1HH1  ARG  62          1HH2      ARG  62   1.306 -15.854   0.260
   97   2HH1  ARG  62          2HH2      ARG  62   2.882 -15.165   0.226
   98   1HH2  ARG  62          2HH1      ARG  62   4.195 -17.652   2.333
   99   2HH2  ARG  62          1HH1      ARG  62   4.580 -16.205   1.467
  100    H    ILE  63           H        ILE  63  -4.421 -16.560   1.454
  101    HA   ILE  63           HA       ILE  63  -4.842 -19.497   1.737
  102    HB   ILE  63           HB       ILE  63  -5.875 -17.074   3.206
  103   1HG1  ILE  63          2HG1      ILE  63  -5.467 -18.987   5.074
  104   2HG1  ILE  63          1HG1      ILE  63  -4.425 -19.636   3.844
  105   1HG2  ILE  63          3HG2      ILE  63  -7.944 -18.238   2.592
  106   2HG2  ILE  63          2HG2      ILE  63  -7.291 -19.736   3.246
  107   3HG2  ILE  63          1HG2      ILE  63  -7.612 -18.374   4.304
  108   1HD1  ILE  63          1HD1      ILE  63  -3.209 -17.440   3.732
  109   2HD1  ILE  63          3HD1      ILE  63  -4.249 -16.851   5.018
  110   3HD1  ILE  63          2HD1      ILE  63  -3.145 -18.174   5.323
  111    H    LEU  64           H        LEU  64  -6.459 -16.566   0.795
  112    HA   LEU  64           HA       LEU  64  -8.824 -17.433  -0.305
  113   1HB   LEU  64          2HB       LEU  64  -8.234 -15.070   0.062
  114   2HB   LEU  64          1HB       LEU  64  -6.939 -15.159  -1.097
  115    HG   LEU  64           HG       LEU  64  -8.722 -15.639  -2.858
  116   1HD1  LEU  64          2HD1      LEU  64 -10.578 -14.686  -0.618
  117   2HD1  LEU  64          1HD1      LEU  64 -11.053 -14.925  -2.289
  118   3HD1  LEU  64          3HD1      LEU  64 -10.573 -16.297  -1.314
  119   1HD2  LEU  64          1HD2      LEU  64  -7.662 -13.412  -2.642
  120   2HD2  LEU  64          3HD2      LEU  64  -9.353 -13.243  -3.073
  121   3HD2  LEU  64          2HD2      LEU  64  -8.836 -12.959  -1.421
  122    H    GLN  65           H        GLN  65  -6.415 -16.370  -2.596
  123    HA   GLN  65           HA       GLN  65  -7.403 -18.435  -4.390
  124   1HB   GLN  65          2HB       GLN  65  -4.934 -16.660  -4.774
  125   2HB   GLN  65          1HB       GLN  65  -5.855 -17.440  -6.022
  126   1HG   GLN  65          2HG       GLN  65  -7.674 -15.906  -5.898
  127   2HG   GLN  65          1HG       GLN  65  -7.189 -15.270  -4.337
  128   1HE2  GLN  65          2HE2      GLN  65  -4.295 -13.608  -5.924
  129   2HE2  GLN  65          1HE2      GLN  65  -4.500 -14.749  -4.679
  130    H    GLN  66           H        GLN  66  -5.393 -18.684  -1.804
  131    HA   GLN  66           HA       GLN  66  -3.456 -20.340  -3.381
  132   1HB   GLN  66          2HB       GLN  66  -2.833 -19.056  -1.241
  133   2HB   GLN  66          1HB       GLN  66  -3.729 -20.304  -0.396
  134   1HG   GLN  66          2HG       GLN  66  -2.279 -22.044  -0.980
  135   2HG   GLN  66          1HG       GLN  66  -1.658 -21.234  -2.406
  136   1HE2  GLN  66          2HE2      GLN  66   0.444 -19.074  -0.365
  137   2HE2  GLN  66          1HE2      GLN  66  -0.718 -18.884  -1.596
  138    H    LEU  67           H        LEU  67  -6.298 -20.639  -1.489
  139    HA   LEU  67           HA       LEU  67  -6.090 -23.589  -1.350
  140   1HB   LEU  67          2HB       LEU  67  -8.281 -21.630  -0.554
  141   2HB   LEU  67          1HB       LEU  67  -8.344 -23.358  -0.251
  142    HG   LEU  67           HG       LEU  67  -6.154 -21.470   0.765
  143   1HD1  LEU  67          3HD1      LEU  67  -8.370 -21.153   1.909
  144   2HD1  LEU  67          2HD1      LEU  67  -8.439 -22.871   2.264
  145   3HD1  LEU  67          1HD1      LEU  67  -7.203 -21.874   3.004
  146   1HD2  LEU  67          3HD2      LEU  67  -6.644 -24.429   1.400
  147   2HD2  LEU  67          2HD2      LEU  67  -5.282 -23.804   0.491
  148   3HD2  LEU  67          1HD2      LEU  67  -5.447 -23.417   2.180
  149    H    LEU  68           H        LEU  68  -7.567 -21.066  -3.111
  150    HA   LEU  68           HA       LEU  68  -9.223 -22.884  -4.652
  151   1HB   LEU  68          2HB       LEU  68  -8.340 -19.988  -5.164
  152   2HB   LEU  68          1HB       LEU  68  -9.569 -20.773  -6.104
  153    HG   LEU  68           HG       LEU  68  -9.804 -20.330  -3.077
  154   1HD1  LEU  68          1HD1      LEU  68 -11.067 -18.745  -5.370
  155   2HD1  LEU  68          3HD1      LEU  68 -11.402 -18.514  -3.665
  156   3HD1  LEU  68          2HD1      LEU  68  -9.810 -18.154  -4.295
  157   1HD2  LEU  68          2HD2      LEU  68 -11.889 -21.147  -5.165
  158   2HD2  LEU  68          1HD2      LEU  68 -11.193 -22.226  -3.966
  159   3HD2  LEU  68          3HD2      LEU  68 -12.196 -20.887  -3.457
  160    H    PHE  69           H        PHE  69  -6.065 -21.366  -5.136
  161    HA   PHE  69           HA       PHE  69  -5.886 -22.394  -7.791
  162   1HB   PHE  69          2HB       PHE  69  -4.152 -20.718  -7.280
  163   2HB   PHE  69          1HB       PHE  69  -3.908 -21.365  -5.673
  164    HD1  PHE  69           HD2      PHE  69  -3.440 -22.382  -9.246
  165    HD2  PHE  69           HD1      PHE  69  -2.040 -22.683  -5.234
  166    HE1  PHE  69           HE2      PHE  69  -1.508 -23.682 -10.020
  167    HE2  PHE  69           HE1      PHE  69  -0.112 -23.985  -6.012
  168    HZ   PHE  69           HZ       PHE  69   0.163 -24.486  -8.399
  169    H    ILE  70           H        ILE  70  -5.325 -23.774  -4.621
  170    HA   ILE  70           HA       ILE  70  -4.151 -26.033  -6.018
  171    HB   ILE  70           HB       ILE  70  -4.004 -27.083  -3.815
  172   1HG1  ILE  70          2HG1      ILE  70  -4.390 -25.253  -1.906
  173   2HG1  ILE  70          1HG1      ILE  70  -5.599 -24.728  -3.050
  174   1HG2  ILE  70          2HG2      ILE  70  -2.165 -25.705  -4.647
  175   2HG2  ILE  70          1HG2      ILE  70  -2.919 -24.259  -3.990
  176   3HG2  ILE  70          3HG2      ILE  70  -2.301 -25.492  -2.908
  177   1HD1  ILE  70          1HD1      ILE  70  -6.610 -26.990  -3.075
  178   2HD1  ILE  70          3HD1      ILE  70  -5.359 -27.536  -1.973
  179   3HD1  ILE  70          2HD1      ILE  70  -6.538 -26.328  -1.454
  180    H    HIS  71           H        HIS  71  -7.211 -25.075  -4.778
  181    HA   HIS  71           HA       HIS  71  -8.281 -27.779  -4.855
  182   1HB   HIS  71          2HB       HIS  71  -9.386 -25.635  -3.757
  183   2HB   HIS  71          1HB       HIS  71  -9.965 -25.268  -5.377
  184    HD1  HIS  71           HD1      HIS  71 -11.946 -25.888  -3.148
  185    HD2  HIS  71           HD2      HIS  71 -10.447 -28.756  -5.746
  186    HE1  HIS  71           HE1      HIS  71 -13.523 -27.813  -3.239
  187    H    PHE  72           H        PHE  72  -8.053 -25.155  -6.934
  188    HA   PHE  72           HA       PHE  72  -9.331 -26.369  -9.256
  189   1HB   PHE  72          2HB       PHE  72  -7.939 -23.768  -8.706
  190   2HB   PHE  72          1HB       PHE  72  -7.917 -24.237 -10.358
  191    HD1  PHE  72           HD2      PHE  72 -10.093 -23.489  -7.455
  192    HD2  PHE  72           HD1      PHE  72 -10.021 -24.360 -11.626
  193    HE1  PHE  72           HE2      PHE  72 -12.452 -22.818  -7.636
  194    HE2  PHE  72           HE1      PHE  72 -12.372 -23.697 -11.810
  195    HZ   PHE  72           HZ       PHE  72 -13.597 -22.924  -9.820
  196    H    ARG  73           H        ARG  73  -5.947 -25.714  -8.524
  197    HA   ARG  73           HA       ARG  73  -4.851 -26.729 -10.916
  198   1HB   ARG  73          2HB       ARG  73  -3.430 -25.609  -9.196
  199   2HB   ARG  73          1HB       ARG  73  -3.689 -26.942  -8.084
  200   1HG   ARG  73          2HG       ARG  73  -1.493 -27.176  -9.142
  201   2HG   ARG  73          1HG       ARG  73  -2.512 -28.476  -9.711
  202   1HD   ARG  73          2HD       ARG  73  -3.015 -26.941 -11.778
  203   2HD   ARG  73          1HD       ARG  73  -1.684 -25.952 -11.196
  204    HE   ARG  73           HE       ARG  73  -0.281 -28.077 -11.349
  205   1HH1  ARG  73          2HH1      ARG  73  -3.090 -29.296 -12.251
  206   2HH1  ARG  73          1HH1      ARG  73  -2.702 -29.649 -13.904
  207   1HH2  ARG  73          1HH2      ARG  73   0.222 -27.715 -13.841
  208   2HH2  ARG  73          2HH2      ARG  73  -0.786 -28.709 -14.830
  209    H    ILE  74           H        ILE  74  -5.863 -28.444  -8.016
  210    HA   ILE  74           HA       ILE  74  -5.051 -31.034  -9.078
  211    HB   ILE  74           HB       ILE  74  -6.820 -30.262  -6.696
  212   1HG1  ILE  74          2HG1      ILE  74  -3.828 -30.854  -6.952
  213   2HG1  ILE  74          1HG1      ILE  74  -4.515 -29.305  -6.584
  214   1HG2  ILE  74          1HG2      ILE  74  -7.122 -32.636  -7.439
  215   2HG2  ILE  74          3HG2      ILE  74  -5.390 -32.888  -7.335
  216   3HG2  ILE  74          2HG2      ILE  74  -6.329 -32.567  -5.882
  217   1HD1  ILE  74          3HD1      ILE  74  -5.473 -30.187  -4.465
  218   2HD1  ILE  74          2HD1      ILE  74  -4.709 -31.743  -4.776
  219   3HD1  ILE  74          1HD1      ILE  74  -3.723 -30.321  -4.509
  220    H    GLY  75           H        GLY  75  -8.068 -29.239  -8.701
  221   1HA   GLY  75          2HA       GLY  75  -9.848 -29.376 -10.354
  222   2HA   GLY  75          1HA       GLY  75  -9.305 -31.000 -10.779
  223   1HN   NH2  76          1HT       GLY  75 -10.000 -29.638  -7.548
  224   2HN   NH2  76          2HT       GLY  75 -11.226 -30.774  -7.178
   
  No H/Q in entry =         224
  Start of MODEL    9
    1   1H    ACE  50A         1HA       ACE  50A  1.067   2.347   5.794
    2   2H    ACE  50A         2HA       ACE  50A  0.426   3.455   4.582
    3   3H    ACE  50A         3HA       ACE  50A  1.393   4.080   5.923
    4    H    TYR  50           H        TYR  50   3.554   2.494   5.992
    5    HA   TYR  50           HA       TYR  50   5.005   3.293   3.573
    6   1HB   TYR  50          2HB       TYR  50   5.941   3.352   5.992
    7   2HB   TYR  50          1HB       TYR  50   6.009   1.598   5.910
    8    HD1  TYR  50           HD2      TYR  50   7.279   4.697   4.281
    9    HD2  TYR  50           HD1      TYR  50   7.839   0.507   4.806
   10    HE1  TYR  50           HE2      TYR  50   9.465   4.844   3.180
   11    HE2  TYR  50           HE1      TYR  50  10.019   0.664   3.712
   12    HH   TYR  50           HH       TYR  50  11.239   2.111   2.188
   13    H    GLY  51           H        GLY  51   3.255   1.792   2.531
   14   1HA   GLY  51          2HA       GLY  51   2.717  -0.120   1.311
   15   2HA   GLY  51          1HA       GLY  51   4.448  -0.238   1.080
   16    H    ASP  52           H        ASP  52   3.864  -0.679   4.334
   17    HA   ASP  52           HA       ASP  52   4.426  -3.536   4.113
   18   1HB   ASP  52          2HB       ASP  52   3.827  -1.832   6.582
   19   2HB   ASP  52          1HB       ASP  52   4.507  -3.449   6.604
   20    H    THR  53           H        THR  53   1.724  -1.710   3.809
   21    HA   THR  53           HA       THR  53  -0.142  -3.065   5.343
   22    HB   THR  53           HB       THR  53  -1.720  -2.001   3.411
   23    HG1  THR  53           HG1      THR  53  -0.458  -1.703   1.711
   24   1HG2  THR  53          3HG2      THR  53  -0.956  -0.559   5.449
   25   2HG2  THR  53          2HG2      THR  53   0.467  -0.122   4.521
   26   3HG2  THR  53          1HG2      THR  53  -1.126   0.353   3.959
   27    H    TRP  54           H        TRP  54   1.169  -3.370   2.443
   28    HA   TRP  54           HA       TRP  54  -0.373  -5.417   1.419
   29   1HB   TRP  54          2HB       TRP  54   2.568  -4.716   0.865
   30   2HB   TRP  54          1HB       TRP  54   1.671  -5.858  -0.138
   31    HD1  TRP  54           HD1      TRP  54   2.012  -2.104   0.466
   32    HE1  TRP  54           HE1      TRP  54   0.489  -0.808  -1.038
   33    HE3  TRP  54           HE3      TRP  54  -0.682  -5.970  -1.302
   34    HZ2  TRP  54           HZ2      TRP  54  -1.594  -1.327  -2.740
   35    HZ3  TRP  54           HZ3      TRP  54  -2.503  -5.513  -2.918
   36    HH2  TRP  54           HH2      TRP  54  -2.956  -3.187  -3.638
   37    H    ALA  55           H        ALA  55   1.901  -5.560   3.905
   38    HA   ALA  55           HA       ALA  55   2.659  -8.352   3.694
   39   1HB   ALA  55          1HB       ALA  55   3.910  -6.692   5.155
   40   2HB   ALA  55          3HB       ALA  55   2.491  -6.555   6.183
   41   3HB   ALA  55          2HB       ALA  55   3.359  -8.075   6.087
   42    H    GLY  56           H        GLY  56   0.003  -6.580   5.010
   43   1HA   GLY  56          2HA       GLY  56  -1.235  -8.824   6.422
   44   2HA   GLY  56          1HA       GLY  56  -2.000  -7.250   6.078
   45    H    VAL  57           H        VAL  57  -1.555  -7.067   3.376
   46    HA   VAL  57           HA       VAL  57  -3.713  -8.444   2.279
   47    HB   VAL  57           HB       VAL  57  -1.185  -7.317   1.009
   48   1HG1  VAL  57          2HG1      VAL  57  -3.836  -8.026  -0.307
   49   2HG1  VAL  57          1HG1      VAL  57  -2.505  -7.201  -1.102
   50   3HG1  VAL  57          3HG1      VAL  57  -2.311  -8.860  -0.568
   51   1HG2  VAL  57          2HG2      VAL  57  -2.582  -5.642   2.267
   52   2HG2  VAL  57          1HG2      VAL  57  -2.639  -5.314   0.546
   53   3HG2  VAL  57          3HG2      VAL  57  -3.986  -6.111   1.334
   54    H    GLU  58           H        GLU  58  -0.249  -9.343   2.211
   55    HA   GLU  58           HA       GLU  58  -0.720 -11.697   0.660
   56   1HB   GLU  58          2HB       GLU  58   1.489 -10.744   2.432
   57   2HB   GLU  58          1HB       GLU  58   1.383 -12.487   2.342
   58   1HG   GLU  58          2HG       GLU  58   1.184 -11.940  -0.312
   59   2HG   GLU  58          1HG       GLU  58   2.062 -10.505   0.198
   60    H    ALA  59           H        ALA  59  -1.403 -11.091   3.974
   61    HA   ALA  59           HA       ALA  59  -1.438 -13.911   4.711
   62   1HB   ALA  59          2HB       ALA  59  -1.312 -12.048   6.433
   63   2HB   ALA  59          1HB       ALA  59  -2.917 -11.515   5.970
   64   3HB   ALA  59          3HB       ALA  59  -2.707 -13.077   6.742
   65    H    ILE  60           H        ILE  60  -3.390 -11.996   2.848
   66    HA   ILE  60           HA       ILE  60  -5.820 -13.653   3.178
   67    HB   ILE  60           HB       ILE  60  -5.356 -11.409   1.133
   68   1HG1  ILE  60          2HG1      ILE  60  -6.285 -10.976   4.021
   69   2HG1  ILE  60          1HG1      ILE  60  -4.660 -10.623   3.489
   70   1HG2  ILE  60          1HG2      ILE  60  -7.448 -12.781   0.981
   71   2HG2  ILE  60          3HG2      ILE  60  -7.842 -12.354   2.638
   72   3HG2  ILE  60          2HG2      ILE  60  -7.810 -11.118   1.393
   73   1HD1  ILE  60          2HD1      ILE  60  -5.547  -9.042   1.787
   74   2HD1  ILE  60          1HD1      ILE  60  -7.164  -9.307   2.410
   75   3HD1  ILE  60          3HD1      ILE  60  -5.932  -8.594   3.439
   76    H    ILE  61           H        ILE  61  -3.668 -12.624   0.577
   77    HA   ILE  61           HA       ILE  61  -4.558 -14.468  -1.405
   78    HB   ILE  61           HB       ILE  61  -2.619 -13.769  -2.600
   79   1HG1  ILE  61          2HG1      ILE  61  -0.849 -12.426  -1.284
   80   2HG1  ILE  61          1HG1      ILE  61  -1.435 -13.419   0.053
   81   1HG2  ILE  61          1HG2      ILE  61  -4.243 -11.949  -2.267
   82   2HG2  ILE  61          3HG2      ILE  61  -3.404 -11.433  -0.820
   83   3HG2  ILE  61          2HG2      ILE  61  -2.611 -11.337  -2.374
   84   1HD1  ILE  61          3HD1      ILE  61  -1.038 -15.477  -1.316
   85   2HD1  ILE  61          2HD1      ILE  61  -0.497 -14.447  -2.617
   86   3HD1  ILE  61          1HD1      ILE  61   0.408 -14.519  -1.098
   87    H    ARG  62           H        ARG  62  -2.200 -14.812   1.261
   88    HA   ARG  62           HA       ARG  62  -1.188 -17.305   0.362
   89   1HB   ARG  62          2HB       ARG  62  -1.280 -15.955   3.029
   90   2HB   ARG  62          1HB       ARG  62  -0.697 -17.607   2.888
   91   1HG   ARG  62          2HG       ARG  62   0.781 -16.790   0.928
   92   2HG   ARG  62          1HG       ARG  62   0.386 -15.162   1.412
   93   1HD   ARG  62          2HD       ARG  62   1.362 -15.521   3.580
   94   2HD   ARG  62          1HD       ARG  62   1.569 -17.250   3.241
   95    HE   ARG  62           HE       ARG  62   2.888 -15.206   1.512
   96   1HH1  ARG  62          2HH1      ARG  62   3.706 -17.653   0.587
   97   2HH1  ARG  62          1HH1      ARG  62   5.025 -18.175   1.578
   98   1HH2  ARG  62          1HH2      ARG  62   4.211 -15.910   4.132
   99   2HH2  ARG  62          2HH2      ARG  62   5.324 -17.151   3.669
  100    H    ILE  63           H        ILE  63  -4.304 -16.565   1.634
  101    HA   ILE  63           HA       ILE  63  -4.741 -19.498   1.900
  102    HB   ILE  63           HB       ILE  63  -4.402 -18.354   4.097
  103   1HG1  ILE  63          2HG1      ILE  63  -7.320 -19.072   3.874
  104   2HG1  ILE  63          1HG1      ILE  63  -6.084 -20.243   3.500
  105   1HG2  ILE  63          3HG2      ILE  63  -5.334 -16.139   3.512
  106   2HG2  ILE  63          2HG2      ILE  63  -6.941 -16.849   3.361
  107   3HG2  ILE  63          1HG2      ILE  63  -6.135 -16.809   4.925
  108   1HD1  ILE  63          3HD1      ILE  63  -6.249 -18.712   6.101
  109   2HD1  ILE  63          2HD1      ILE  63  -6.742 -20.389   5.859
  110   3HD1  ILE  63          1HD1      ILE  63  -5.050 -19.939   5.692
  111    H    LEU  64           H        LEU  64  -5.466 -16.943   0.181
  112    HA   LEU  64           HA       LEU  64  -8.329 -17.654  -0.239
  113   1HB   LEU  64          2HB       LEU  64  -7.829 -15.254   0.105
  114   2HB   LEU  64          1HB       LEU  64  -6.598 -15.283  -1.128
  115    HG   LEU  64           HG       LEU  64  -8.317 -15.853  -2.815
  116   1HD1  LEU  64          3HD1      LEU  64 -10.320 -15.406  -0.549
  117   2HD1  LEU  64          2HD1      LEU  64 -10.746 -15.607  -2.238
  118   3HD1  LEU  64          1HD1      LEU  64 -10.043 -16.941  -1.354
  119   1HD2  LEU  64          3HD2      LEU  64  -8.924 -13.337  -1.203
  120   2HD2  LEU  64          2HD2      LEU  64  -7.721 -13.472  -2.471
  121   3HD2  LEU  64          1HD2      LEU  64  -9.422 -13.603  -2.864
  122    H    GLN  65           H        GLN  65  -6.134 -16.406  -2.707
  123    HA   GLN  65           HA       GLN  65  -6.976 -18.514  -4.412
  124   1HB   GLN  65          2HB       GLN  65  -5.292 -17.682  -5.997
  125   2HB   GLN  65          1HB       GLN  65  -6.196 -16.354  -5.331
  126   1HG   GLN  65          2HG       GLN  65  -4.321 -15.744  -3.861
  127   2HG   GLN  65          1HG       GLN  65  -3.409 -17.163  -4.374
  128   1HE2  GLN  65          2HE2      GLN  65  -2.061 -14.776  -6.701
  129   2HE2  GLN  65          1HE2      GLN  65  -1.749 -15.453  -5.177
  130    H    GLN  66           H        GLN  66  -4.893 -18.784  -1.820
  131    HA   GLN  66           HA       GLN  66  -3.052 -20.640  -3.211
  132   1HB   GLN  66          2HB       GLN  66  -3.366 -19.643  -0.403
  133   2HB   GLN  66          1HB       GLN  66  -2.699 -21.244  -0.525
  134   1HG   GLN  66          2HG       GLN  66  -1.051 -20.177  -2.308
  135   2HG   GLN  66          1HG       GLN  66  -1.573 -18.635  -1.638
  136   1HE2  GLN  66          2HE2      GLN  66   1.042 -19.122   0.758
  137   2HE2  GLN  66          1HE2      GLN  66   0.496 -18.152  -0.528
  138    H    LEU  67           H        LEU  67  -6.038 -20.675  -1.510
  139    HA   LEU  67           HA       LEU  67  -6.093 -23.618  -1.292
  140   1HB   LEU  67          2HB       LEU  67  -8.270 -21.553  -0.761
  141   2HB   LEU  67          1HB       LEU  67  -8.312 -23.241  -0.319
  142    HG   LEU  67           HG       LEU  67  -6.376 -21.148   0.770
  143   1HD1  LEU  67          2HD1      LEU  67  -8.674 -22.688   2.084
  144   2HD1  LEU  67          1HD1      LEU  67  -7.615 -21.559   2.900
  145   3HD1  LEU  67          3HD1      LEU  67  -8.692 -20.986   1.656
  146   1HD2  LEU  67          3HD2      LEU  67  -6.625 -24.111   1.502
  147   2HD2  LEU  67          2HD2      LEU  67  -5.265 -23.398   0.650
  148   3HD2  LEU  67          1HD2      LEU  67  -5.589 -22.943   2.303
  149    H    LEU  68           H        LEU  68  -7.398 -21.024  -3.090
  150    HA   LEU  68           HA       LEU  68  -9.113 -22.705  -4.679
  151   1HB   LEU  68          2HB       LEU  68  -7.940 -19.936  -5.213
  152   2HB   LEU  68          1HB       LEU  68  -9.244 -20.589  -6.159
  153    HG   LEU  68           HG       LEU  68  -9.421 -19.931  -3.162
  154   1HD1  LEU  68          2HD1      LEU  68  -9.311 -17.911  -4.641
  155   2HD1  LEU  68          1HD1      LEU  68 -10.637 -18.546  -5.601
  156   3HD1  LEU  68          3HD1      LEU  68 -10.900 -18.089  -3.929
  157   1HD2  LEU  68          2HD2      LEU  68 -11.619 -20.800  -5.114
  158   2HD2  LEU  68          1HD2      LEU  68 -10.964 -21.807  -3.835
  159   3HD2  LEU  68          3HD2      LEU  68 -11.847 -20.354  -3.431
  160    H    PHE  69           H        PHE  69  -5.853 -21.515  -5.117
  161    HA   PHE  69           HA       PHE  69  -5.712 -22.528  -7.785
  162   1HB   PHE  69          2HB       PHE  69  -3.868 -21.011  -7.223
  163   2HB   PHE  69          1HB       PHE  69  -3.707 -21.680  -5.614
  164    HD1  PHE  69           HD2      PHE  69  -3.240 -22.739  -9.180
  165    HD2  PHE  69           HD1      PHE  69  -1.962 -23.106  -5.134
  166    HE1  PHE  69           HE2      PHE  69  -1.384 -24.166  -9.894
  167    HE2  PHE  69           HE1      PHE  69  -0.106 -24.536  -5.849
  168    HZ   PHE  69           HZ       PHE  69   0.192 -25.074  -8.237
  169    H    ILE  70           H        ILE  70  -5.315 -23.963  -4.593
  170    HA   ILE  70           HA       ILE  70  -4.335 -26.329  -5.985
  171    HB   ILE  70           HB       ILE  70  -4.295 -27.388  -3.780
  172   1HG1  ILE  70          2HG1      ILE  70  -4.528 -25.584  -1.849
  173   2HG1  ILE  70          1HG1      ILE  70  -5.625 -24.878  -3.003
  174   1HG2  ILE  70          2HG2      ILE  70  -2.315 -26.152  -4.578
  175   2HG2  ILE  70          1HG2      ILE  70  -2.954 -24.664  -3.896
  176   3HG2  ILE  70          3HG2      ILE  70  -2.463 -25.973  -2.841
  177   1HD1  ILE  70          1HD1      ILE  70  -5.799 -27.736  -2.024
  178   2HD1  ILE  70          3HD1      ILE  70  -6.795 -26.402  -1.443
  179   3HD1  ILE  70          2HD1      ILE  70  -6.955 -26.960  -3.087
  180    H    HIS  71           H        HIS  71  -7.271 -25.074  -4.810
  181    HA   HIS  71           HA       HIS  71  -8.643 -27.627  -4.856
  182   1HB   HIS  71          2HB       HIS  71  -9.445 -25.512  -3.675
  183   2HB   HIS  71          1HB       HIS  71  -9.787 -24.822  -5.257
  184    HD1  HIS  71           HD1      HIS  71 -12.127 -24.834  -3.699
  185    HD2  HIS  71           HD2      HIS  71 -10.956 -28.322  -5.632
  186    HE1  HIS  71           HE1      HIS  71 -14.112 -26.345  -3.946
  187    H    PHE  72           H        PHE  72  -8.091 -25.082  -6.941
  188    HA   PHE  72           HA       PHE  72  -9.550 -26.158  -9.238
  189   1HB   PHE  72          2HB       PHE  72  -8.031 -23.642  -8.702
  190   2HB   PHE  72          1HB       PHE  72  -8.005 -24.107 -10.345
  191    HD1  PHE  72           HD2      PHE  72 -10.385 -24.894 -11.316
  192    HD2  PHE  72           HD1      PHE  72  -9.909 -22.476  -7.838
  193    HE1  PHE  72           HE2      PHE  72 -12.683 -24.106 -11.550
  194    HE2  PHE  72           HE1      PHE  72 -12.223 -21.684  -8.084
  195    HZ   PHE  72           HZ       PHE  72 -13.617 -22.497  -9.945
  196    H    ARG  73           H        ARG  73  -6.119 -25.735  -8.598
  197    HA   ARG  73           HA       ARG  73  -5.139 -26.667 -11.055
  198   1HB   ARG  73          2HB       ARG  73  -3.726 -25.733  -9.244
  199   2HB   ARG  73          1HB       ARG  73  -3.954 -27.181  -8.280
  200   1HG   ARG  73          2HG       ARG  73  -1.791 -27.231  -9.394
  201   2HG   ARG  73          1HG       ARG  73  -2.795 -28.475 -10.111
  202   1HD   ARG  73          2HD       ARG  73  -3.277 -27.009 -12.058
  203   2HD   ARG  73          1HD       ARG  73  -2.429 -25.667 -11.288
  204    HE   ARG  73           HE       ARG  73  -0.529 -27.675 -11.401
  205   1HH1  ARG  73          2HH1      ARG  73  -1.407 -28.925 -13.713
  206   2HH1  ARG  73          1HH1      ARG  73  -0.926 -27.929 -15.037
  207   1HH2  ARG  73          1HH2      ARG  73  -0.434 -25.131 -12.975
  208   2HH2  ARG  73          2HH2      ARG  73  -0.333 -25.698 -14.605
  209    H    ILE  74           H        ILE  74  -6.432 -28.572  -8.402
  210    HA   ILE  74           HA       ILE  74  -5.625 -31.104  -9.636
  211    HB   ILE  74           HB       ILE  74  -7.546 -30.485  -7.325
  212   1HG1  ILE  74          2HG1      ILE  74  -4.572 -31.135  -7.396
  213   2HG1  ILE  74          1HG1      ILE  74  -5.228 -29.578  -7.010
  214   1HG2  ILE  74          3HG2      ILE  74  -6.083 -33.072  -8.085
  215   2HG2  ILE  74          2HG2      ILE  74  -7.096 -32.858  -6.660
  216   3HG2  ILE  74          1HG2      ILE  74  -7.808 -32.791  -8.253
  217   1HD1  ILE  74          2HD1      ILE  74  -5.719 -32.046  -5.303
  218   2HD1  ILE  74          1HD1      ILE  74  -4.637 -30.724  -4.927
  219   3HD1  ILE  74          3HD1      ILE  74  -6.364 -30.436  -5.011
  220    H    GLY  75           H        GLY  75  -8.197 -28.939  -9.909
  221   1HA   GLY  75          2HA       GLY  75  -9.427 -29.765 -12.174
  222   2HA   GLY  75          1HA       GLY  75 -10.152 -30.859 -11.003
  223   1HN   NH2  76          1HT       GLY  75 -10.092 -28.712  -8.836
  224   2HN   NH2  76          2HT       GLY  75 -11.351 -27.667  -9.273
   
  No H/Q in entry =         224
  Start of MODEL   10
    1   1H    ACE  50A         1HA       ACE  50A  5.607  -5.689  -2.453
    2   2H    ACE  50A         2HA       ACE  50A  6.742  -4.363  -2.154
    3   3H    ACE  50A         3HA       ACE  50A  5.083  -4.015  -2.642
    4    H    TYR  50           H        TYR  50   7.048  -5.300  -0.030
    5    HA   TYR  50           HA       TYR  50   4.865  -5.450   1.877
    6   1HB   TYR  50          2HB       TYR  50   6.965  -5.707   3.490
    7   2HB   TYR  50          1HB       TYR  50   6.623  -6.990   2.343
    8    HD1  TYR  50           HD2      TYR  50   8.809  -4.026   2.994
    9    HD2  TYR  50           HD1      TYR  50   8.108  -7.412   0.494
   10    HE1  TYR  50           HE2      TYR  50  11.006  -3.730   1.956
   11    HE2  TYR  50           HE1      TYR  50  10.305  -7.100  -0.535
   12    HH   TYR  50           HH       TYR  50  12.582  -5.971   0.304
   13    H    GLY  51           H        GLY  51   4.395  -3.099   1.094
   14   1HA   GLY  51          2HA       GLY  51   5.807  -0.861   2.118
   15   2HA   GLY  51          1HA       GLY  51   4.094  -0.852   1.741
   16    H    ASP  52           H        ASP  52   3.556  -2.919   3.748
   17    HA   ASP  52           HA       ASP  52   4.058  -2.926   6.307
   18   1HB   ASP  52          2HB       ASP  52   4.402  -0.475   6.637
   19   2HB   ASP  52          1HB       ASP  52   2.855  -0.108   5.886
   20    H    THR  53           H        THR  53   1.342  -1.133   4.783
   21    HA   THR  53           HA       THR  53  -0.559  -2.726   6.117
   22    HB   THR  53           HB       THR  53  -1.243  -1.307   3.478
   23    HG1  THR  53           HG1      THR  53  -0.898   0.463   5.521
   24   1HG2  THR  53          2HG2      THR  53  -2.348  -0.910   6.336
   25   2HG2  THR  53          1HG2      THR  53  -3.056  -0.293   4.848
   26   3HG2  THR  53          3HG2      THR  53  -3.055  -2.013   5.171
   27    H    TRP  54           H        TRP  54   1.015  -2.791   3.330
   28    HA   TRP  54           HA       TRP  54  -0.457  -4.748   2.024
   29   1HB   TRP  54          2HB       TRP  54   2.519  -4.053   1.763
   30   2HB   TRP  54          1HB       TRP  54   1.714  -5.160   0.661
   31    HD1  TRP  54           HD1      TRP  54   1.911  -1.419   1.462
   32    HE1  TRP  54           HE1      TRP  54   0.556  -0.118  -0.205
   33    HE3  TRP  54           HE3      TRP  54  -0.434  -5.303  -0.779
   34    HZ2  TRP  54           HZ2      TRP  54  -1.249  -0.630  -2.183
   35    HZ3  TRP  54           HZ3      TRP  54  -2.021  -4.825  -2.614
   36    HH2  TRP  54           HH2      TRP  54  -2.429  -2.482  -3.316
   37    H    ALA  55           H        ALA  55   1.652  -5.038   4.678
   38    HA   ALA  55           HA       ALA  55   2.393  -7.806   4.311
   39   1HB   ALA  55          3HB       ALA  55   3.528  -6.258   5.998
   40   2HB   ALA  55          2HB       ALA  55   2.028  -6.188   6.909
   41   3HB   ALA  55          1HB       ALA  55   2.905  -7.702   6.779
   42    H    GLY  56           H        GLY  56  -0.399  -6.140   5.442
   43   1HA   GLY  56          2HA       GLY  56  -1.689  -8.456   6.675
   44   2HA   GLY  56          1HA       GLY  56  -2.499  -6.940   6.218
   45    H    VAL  57           H        VAL  57  -1.946  -6.632   3.698
   46    HA   VAL  57           HA       VAL  57  -3.786  -8.118   2.276
   47    HB   VAL  57           HB       VAL  57  -1.230  -6.789   1.321
   48   1HG1  VAL  57          1HG1      VAL  57  -3.833  -7.404  -0.167
   49   2HG1  VAL  57          3HG1      VAL  57  -2.483  -6.508  -0.844
   50   3HG1  VAL  57          2HG1      VAL  57  -2.292  -8.206  -0.448
   51   1HG2  VAL  57          3HG2      VAL  57  -4.039  -5.631   1.650
   52   2HG2  VAL  57          2HG2      VAL  57  -2.653  -5.217   2.639
   53   3HG2  VAL  57          1HG2      VAL  57  -2.679  -4.777   0.946
   54    H    GLU  58           H        GLU  58  -0.308  -8.647   2.365
   55    HA   GLU  58           HA       GLU  58  -0.265 -10.993   0.716
   56   1HB   GLU  58          2HB       GLU  58   1.476 -10.016   3.032
   57   2HB   GLU  58          1HB       GLU  58   1.890 -11.418   2.107
   58   1HG   GLU  58          2HG       GLU  58   1.461  -8.598   0.932
   59   2HG   GLU  58          1HG       GLU  58   3.035  -9.167   1.437
   60    H    ALA  59           H        ALA  59  -1.198 -10.656   3.974
   61    HA   ALA  59           HA       ALA  59  -0.886 -13.533   4.541
   62   1HB   ALA  59          1HB       ALA  59  -0.953 -11.834   6.416
   63   2HB   ALA  59          3HB       ALA  59  -2.607 -11.435   5.982
   64   3HB   ALA  59          2HB       ALA  59  -2.225 -13.032   6.603
   65    H    ILE  60           H        ILE  60  -3.203 -11.479   3.151
   66    HA   ILE  60           HA       ILE  60  -5.434 -13.379   3.270
   67    HB   ILE  60           HB       ILE  60  -5.160 -11.028   1.313
   68   1HG1  ILE  60          2HG1      ILE  60  -6.093 -10.807   4.219
   69   2HG1  ILE  60          1HG1      ILE  60  -4.526 -10.300   3.673
   70   1HG2  ILE  60          3HG2      ILE  60  -7.134 -12.529   1.066
   71   2HG2  ILE  60          2HG2      ILE  60  -7.576 -12.238   2.739
   72   3HG2  ILE  60          1HG2      ILE  60  -7.631 -10.929   1.569
   73   1HD1  ILE  60          2HD1      ILE  60  -5.586  -8.757   2.061
   74   2HD1  ILE  60          1HD1      ILE  60  -7.151  -9.179   2.726
   75   3HD1  ILE  60          3HD1      ILE  60  -5.945  -8.408   3.748
   76    H    ILE  61           H        ILE  61  -3.481 -12.068   0.648
   77    HA   ILE  61           HA       ILE  61  -4.244 -13.833  -1.445
   78    HB   ILE  61           HB       ILE  61  -2.266 -13.017  -2.547
   79   1HG1  ILE  61          2HG1      ILE  61  -0.662 -11.631  -1.177
   80   2HG1  ILE  61          1HG1      ILE  61  -1.227 -12.642   0.149
   81   1HG2  ILE  61          1HG2      ILE  61  -4.035 -11.372  -2.250
   82   2HG2  ILE  61          3HG2      ILE  61  -3.327 -10.833  -0.742
   83   3HG2  ILE  61          2HG2      ILE  61  -2.455 -10.619  -2.241
   84   1HD1  ILE  61          3HD1      ILE  61  -0.665 -14.686  -1.292
   85   2HD1  ILE  61          2HD1      ILE  61  -0.136 -13.574  -2.521
   86   3HD1  ILE  61          1HD1      ILE  61   0.717 -13.661  -0.977
   87    H    ARG  62           H        ARG  62  -1.754 -14.206   1.088
   88    HA   ARG  62           HA       ARG  62  -0.606 -16.592   0.230
   89   1HB   ARG  62          2HB       ARG  62   0.202 -15.322   2.047
   90   2HB   ARG  62          1HB       ARG  62  -1.213 -15.675   3.021
   91   1HG   ARG  62          2HG       ARG  62  -0.636 -17.983   3.171
   92   2HG   ARG  62          1HG       ARG  62   0.460 -17.891   1.795
   93   1HD   ARG  62          2HD       ARG  62   1.675 -17.995   3.960
   94   2HD   ARG  62          1HD       ARG  62   2.000 -16.506   3.060
   95    HE   ARG  62           HE       ARG  62  -0.228 -16.257   4.926
   96   1HH1  ARG  62          1HH2      ARG  62   1.414 -13.983   4.298
   97   2HH1  ARG  62          2HH2      ARG  62   2.478 -13.811   5.654
   98   1HH2  ARG  62          2HH1      ARG  62   1.844 -17.115   6.725
   99   2HH2  ARG  62          1HH1      ARG  62   2.739 -15.686   7.099
  100    H    ILE  63           H        ILE  63  -3.847 -16.233   1.704
  101    HA   ILE  63           HA       ILE  63  -4.151 -19.217   1.543
  102    HB   ILE  63           HB       ILE  63  -5.371 -17.035   3.303
  103   1HG1  ILE  63          2HG1      ILE  63  -4.437 -19.048   4.965
  104   2HG1  ILE  63          1HG1      ILE  63  -3.314 -19.185   3.644
  105   1HG2  ILE  63          1HG2      ILE  63  -6.176 -19.931   3.187
  106   2HG2  ILE  63          3HG2      ILE  63  -6.683 -18.768   4.421
  107   3HG2  ILE  63          2HG2      ILE  63  -7.172 -18.542   2.751
  108   1HD1  ILE  63          3HD1      ILE  63  -2.759 -16.780   3.823
  109   2HD1  ILE  63          2HD1      ILE  63  -3.870 -16.615   5.165
  110   3HD1  ILE  63          1HD1      ILE  63  -2.444 -17.625   5.327
  111    H    LEU  64           H        LEU  64  -4.753 -16.551  -0.158
  112    HA   LEU  64           HA       LEU  64  -7.507 -16.945  -0.927
  113   1HB   LEU  64          2HB       LEU  64  -6.196 -14.794  -1.117
  114   2HB   LEU  64          1HB       LEU  64  -5.172 -15.535  -2.329
  115    HG   LEU  64           HG       LEU  64  -7.194 -15.795  -3.795
  116   1HD1  LEU  64          3HD1      LEU  64  -8.506 -13.994  -1.687
  117   2HD1  LEU  64          2HD1      LEU  64  -9.223 -14.435  -3.225
  118   3HD1  LEU  64          1HD1      LEU  64  -8.962 -15.661  -2.002
  119   1HD2  LEU  64          3HD2      LEU  64  -6.521 -12.964  -2.940
  120   2HD2  LEU  64          2HD2      LEU  64  -5.642 -13.931  -4.118
  121   3HD2  LEU  64          1HD2      LEU  64  -7.283 -13.414  -4.456
  122    H    GLN  65           H        GLN  65  -5.376 -16.928  -3.670
  123    HA   GLN  65           HA       GLN  65  -6.655 -19.261  -4.647
  124   1HB   GLN  65          2HB       GLN  65  -5.075 -19.154  -6.522
  125   2HB   GLN  65          1HB       GLN  65  -5.551 -17.519  -6.137
  126   1HG   GLN  65          2HG       GLN  65  -2.919 -18.850  -5.293
  127   2HG   GLN  65          1HG       GLN  65  -3.101 -17.611  -6.526
  128   1HE2  GLN  65          2HE2      GLN  65  -2.546 -16.364  -2.838
  129   2HE2  GLN  65          1HE2      GLN  65  -2.072 -17.885  -3.429
  130    H    GLN  66           H        GLN  66  -4.547 -19.233  -2.158
  131    HA   GLN  66           HA       GLN  66  -2.805 -21.404  -2.937
  132   1HB   GLN  66          2HB       GLN  66  -3.366 -19.898  -0.479
  133   2HB   GLN  66          1HB       GLN  66  -3.281 -21.605  -0.108
  134   1HG   GLN  66          2HG       GLN  66  -1.057 -20.717   0.119
  135   2HG   GLN  66          1HG       GLN  66  -1.051 -21.691  -1.338
  136   1HE2  GLN  66          2HE2      GLN  66   0.157 -17.969  -1.680
  137   2HE2  GLN  66          1HE2      GLN  66   0.088 -18.823  -0.209
  138    H    LEU  67           H        LEU  67  -5.971 -21.162  -1.522
  139    HA   LEU  67           HA       LEU  67  -6.257 -24.077  -1.189
  140   1HB   LEU  67          2HB       LEU  67  -8.445 -21.965  -1.094
  141   2HB   LEU  67          1HB       LEU  67  -8.442 -23.537  -0.336
  142    HG   LEU  67           HG       LEU  67  -6.588 -21.228   0.405
  143   1HD1  LEU  67          1HD1      LEU  67  -8.979 -22.446   1.874
  144   2HD1  LEU  67          3HD1      LEU  67  -7.923 -21.201   2.510
  145   3HD1  LEU  67          2HD1      LEU  67  -8.918 -20.857   1.118
  146   1HD2  LEU  67          2HD2      LEU  67  -6.906 -23.977   1.725
  147   2HD2  LEU  67          1HD2      LEU  67  -5.499 -23.443   0.820
  148   3HD2  LEU  67          3HD2      LEU  67  -5.912 -22.666   2.332
  149    H    LEU  68           H        LEU  68  -6.935 -21.719  -3.440
  150    HA   LEU  68           HA       LEU  68  -8.765 -23.260  -5.096
  151   1HB   LEU  68          2HB       LEU  68  -7.113 -20.788  -5.689
  152   2HB   LEU  68          1HB       LEU  68  -8.276 -21.447  -6.779
  153    HG   LEU  68           HG       LEU  68  -8.948 -20.366  -3.986
  154   1HD1  LEU  68          2HD1      LEU  68  -9.513 -19.149  -6.739
  155   2HD1  LEU  68          1HD1      LEU  68 -10.052 -18.479  -5.209
  156   3HD1  LEU  68          3HD1      LEU  68  -8.347 -18.518  -5.592
  157   1HD2  LEU  68          1HD2      LEU  68 -10.791 -21.290  -6.247
  158   2HD2  LEU  68          3HD2      LEU  68 -10.525 -22.148  -4.736
  159   3HD2  LEU  68          2HD2      LEU  68 -11.316 -20.589  -4.727
  160    H    PHE  69           H        PHE  69  -5.391 -22.755  -4.784
  161    HA   PHE  69           HA       PHE  69  -4.784 -23.733  -7.339
  162   1HB   PHE  69          2HB       PHE  69  -2.905 -22.759  -5.969
  163   2HB   PHE  69          1HB       PHE  69  -3.287 -23.831  -4.624
  164    HD1  PHE  69           HD2      PHE  69  -2.385 -24.065  -8.245
  165    HD2  PHE  69           HD1      PHE  69  -1.907 -25.725  -4.353
  166    HE1  PHE  69           HE2      PHE  69  -0.800 -25.712  -9.146
  167    HE2  PHE  69           HE1      PHE  69  -0.321 -27.372  -5.256
  168    HZ   PHE  69           HZ       PHE  69   0.228 -27.369  -7.650
  169    H    ILE  70           H        ILE  70  -5.517 -25.350  -4.288
  170    HA   ILE  70           HA       ILE  70  -5.114 -27.769  -5.896
  171    HB   ILE  70           HB       ILE  70  -5.953 -28.904  -3.700
  172   1HG1  ILE  70          2HG1      ILE  70  -6.616 -26.524  -2.871
  173   2HG1  ILE  70          1HG1      ILE  70  -5.968 -27.721  -1.799
  174   1HG2  ILE  70          2HG2      ILE  70  -3.246 -27.518  -3.953
  175   2HG2  ILE  70          1HG2      ILE  70  -3.586 -28.849  -2.854
  176   3HG2  ILE  70          3HG2      ILE  70  -3.664 -29.096  -4.589
  177   1HD1  ILE  70          1HD1      ILE  70  -4.250 -25.573  -3.027
  178   2HD1  ILE  70          3HD1      ILE  70  -4.908 -25.537  -1.397
  179   3HD1  ILE  70          2HD1      ILE  70  -3.757 -26.760  -1.845
  180    H    HIS  71           H        HIS  71  -7.605 -25.743  -4.891
  181    HA   HIS  71           HA       HIS  71  -9.699 -27.756  -5.412
  182   1HB   HIS  71          2HB       HIS  71  -9.852 -26.095  -3.568
  183   2HB   HIS  71          1HB       HIS  71  -9.868 -24.806  -4.745
  184    HD1  HIS  71           HD1      HIS  71 -12.259 -24.042  -4.130
  185    HD2  HIS  71           HD2      HIS  71 -12.029 -28.004  -5.352
  186    HE1  HIS  71           HE1      HIS  71 -14.564 -24.903  -4.527
  187    H    PHE  72           H        PHE  72  -7.832 -25.739  -7.254
  188    HA   PHE  72           HA       PHE  72  -9.869 -25.650  -9.456
  189   1HB   PHE  72          2HB       PHE  72  -8.323 -23.455  -8.436
  190   2HB   PHE  72          1HB       PHE  72  -7.503 -23.901  -9.902
  191    HD1  PHE  72           HD1      PHE  72 -10.594 -22.782  -8.304
  192    HD2  PHE  72           HD2      PHE  72  -8.783 -23.555 -12.084
  193    HE1  PHE  72           HE1      PHE  72 -12.412 -21.581  -9.410
  194    HE2  PHE  72           HE2      PHE  72 -10.611 -22.355 -13.192
  195    HZ   PHE  72           HZ       PHE  72 -12.431 -21.363 -11.865
  196    H    ARG  73           H        ARG  73  -6.435 -26.100  -8.697
  197    HA   ARG  73           HA       ARG  73  -5.574 -26.999 -11.220
  198   1HB   ARG  73          2HB       ARG  73  -4.003 -26.656  -9.346
  199   2HB   ARG  73          1HB       ARG  73  -4.723 -28.006  -8.473
  200   1HG   ARG  73          2HG       ARG  73  -2.628 -28.681  -9.446
  201   2HG   ARG  73          1HG       ARG  73  -3.938 -29.571 -10.193
  202   1HD   ARG  73          2HD       ARG  73  -3.879 -27.956 -12.137
  203   2HD   ARG  73          1HD       ARG  73  -2.521 -27.130 -11.370
  204    HE   ARG  73           HE       ARG  73  -1.876 -29.890 -11.563
  205   1HH1  ARG  73          2HH1      ARG  73  -3.379 -29.000 -14.119
  206   2HH1  ARG  73          1HH1      ARG  73  -2.054 -28.690 -15.186
  207   1HH2  ARG  73          1HH2      ARG  73   0.259 -28.677 -12.517
  208   2HH2  ARG  73          2HH2      ARG  73   0.109 -28.499 -14.229
  209    H    ILE  74           H        ILE  74  -7.145 -28.893  -8.692
  210    HA   ILE  74           HA       ILE  74  -6.982 -31.372 -10.213
  211    HB   ILE  74           HB       ILE  74  -8.598 -30.571  -7.723
  212   1HG1  ILE  74          2HG1      ILE  74  -5.881 -31.897  -8.170
  213   2HG1  ILE  74          1HG1      ILE  74  -6.157 -30.324  -7.460
  214   1HG2  ILE  74          3HG2      ILE  74  -9.522 -32.622  -8.834
  215   2HG2  ILE  74          2HG2      ILE  74  -7.928 -33.357  -8.799
  216   3HG2  ILE  74          1HG2      ILE  74  -8.787 -33.011  -7.298
  217   1HD1  ILE  74          1HD1      ILE  74  -7.303 -31.341  -5.512
  218   2HD1  ILE  74          3HD1      ILE  74  -7.004 -32.949  -6.164
  219   3HD1  ILE  74          2HD1      ILE  74  -5.660 -31.934  -5.682
  220    H    GLY  75           H        GLY  75  -8.840 -28.683 -10.431
  221   1HA   GLY  75          2HA       GLY  75 -10.296 -28.849 -12.599
  222   2HA   GLY  75          1HA       GLY  75 -11.211 -30.033 -11.657
  223   1HN   NH2  76          1HT       GLY  75 -10.600 -28.429  -9.167
  224   2HN   NH2  76          2HT       GLY  75 -11.672 -27.124  -9.196
   
  No H/Q in entry =         224
  Start of MODEL   11
    1   1H    ACE  50A         1HA       ACE  50A  4.346   4.094   5.564
    2   2H    ACE  50A         2HA       ACE  50A  2.855   3.201   5.897
    3   3H    ACE  50A         3HA       ACE  50A  2.785   4.894   5.386
    4    H    TYR  50           H        TYR  50   1.302   3.414   3.920
    5    HA   TYR  50           HA       TYR  50   0.795   2.716   1.828
    6   1HB   TYR  50          2HB       TYR  50   3.333   4.295   1.127
    7   2HB   TYR  50          1HB       TYR  50   2.241   3.650  -0.073
    8    HD1  TYR  50           HD2      TYR  50   2.627   6.135   2.623
    9    HD2  TYR  50           HD1      TYR  50   0.027   4.717  -0.454
   10    HE1  TYR  50           HE2      TYR  50   1.243   8.145   2.852
   11    HE2  TYR  50           HE1      TYR  50  -1.342   6.738  -0.206
   12    HH   TYR  50           HH       TYR  50  -0.390   9.463   1.284
   13    H    GLY  51           H        GLY  51   3.700   1.714   2.870
   14   1HA   GLY  51          2HA       GLY  51   3.716  -0.677   1.038
   15   2HA   GLY  51          1HA       GLY  51   5.202   0.184   1.411
   16    H    ASP  52           H        ASP  52   2.641  -0.615   3.555
   17    HA   ASP  52           HA       ASP  52   4.376  -2.641   4.932
   18   1HB   ASP  52          2HB       ASP  52   2.969  -0.432   6.477
   19   2HB   ASP  52          1HB       ASP  52   4.087  -1.630   7.111
   20    H    THR  53           H        THR  53   1.301  -1.133   4.517
   21    HA   THR  53           HA       THR  53  -0.219  -2.953   6.088
   22    HB   THR  53           HB       THR  53  -1.128  -0.658   5.449
   23    HG1  THR  53           HG1      THR  53  -2.991  -1.910   4.088
   24   1HG2  THR  53          3HG2      THR  53  -0.110  -0.602   3.067
   25   2HG2  THR  53          2HG2      THR  53  -1.275  -1.821   2.584
   26   3HG2  THR  53          1HG2      THR  53  -1.815  -0.226   3.084
   27    H    TRP  54           H        TRP  54   1.005  -2.915   3.127
   28    HA   TRP  54           HA       TRP  54  -0.589  -4.874   1.975
   29   1HB   TRP  54          2HB       TRP  54   2.366  -4.311   1.382
   30   2HB   TRP  54          1HB       TRP  54   1.308  -5.259   0.342
   31    HD1  TRP  54           HD1      TRP  54   2.049  -1.684   1.314
   32    HE1  TRP  54           HE1      TRP  54   0.699  -0.085  -0.046
   33    HE3  TRP  54           HE3      TRP  54  -1.107  -5.032  -0.783
   34    HZ2  TRP  54           HZ2      TRP  54  -1.430  -0.185  -1.723
   35    HZ3  TRP  54           HZ3      TRP  54  -2.862  -4.184  -2.317
   36    HH2  TRP  54           HH2      TRP  54  -3.024  -1.757  -2.787
   37    H    ALA  55           H        ALA  55   1.824  -5.139   4.356
   38    HA   ALA  55           HA       ALA  55   2.572  -7.898   3.959
   39   1HB   ALA  55          1HB       ALA  55   3.781  -6.315   5.522
   40   2HB   ALA  55          3HB       ALA  55   2.365  -6.281   6.559
   41   3HB   ALA  55          2HB       ALA  55   3.271  -7.772   6.367
   42    H    GLY  56           H        GLY  56  -0.109  -6.269   5.352
   43   1HA   GLY  56          2HA       GLY  56  -1.315  -8.561   6.690
   44   2HA   GLY  56          1HA       GLY  56  -2.140  -7.030   6.300
   45    H    VAL  57           H        VAL  57  -1.805  -6.759   3.691
   46    HA   VAL  57           HA       VAL  57  -3.782  -8.278   2.494
   47    HB   VAL  57           HB       VAL  57  -1.327  -6.913   1.332
   48   1HG1  VAL  57          1HG1      VAL  57  -3.870  -7.773  -0.099
   49   2HG1  VAL  57          3HG1      VAL  57  -2.570  -6.826  -0.812
   50   3HG1  VAL  57          2HG1      VAL  57  -2.278  -8.484  -0.336
   51   1HG2  VAL  57          1HG2      VAL  57  -2.823  -5.419   2.615
   52   2HG2  VAL  57          3HG2      VAL  57  -2.894  -5.024   0.908
   53   3HG2  VAL  57          2HG2      VAL  57  -4.196  -5.930   1.654
   54    H    GLU  58           H        GLU  58  -0.303  -8.824   2.355
   55    HA   GLU  58           HA       GLU  58  -0.435 -11.156   0.747
   56   1HB   GLU  58          2HB       GLU  58   1.558  -9.722   2.402
   57   2HB   GLU  58          1HB       GLU  58   1.803 -11.439   2.561
   58   1HG   GLU  58          2HG       GLU  58   1.406 -10.532  -0.254
   59   2HG   GLU  58          1HG       GLU  58   2.816  -9.859   0.532
   60    H    ALA  59           H        ALA  59  -1.118 -10.784   4.098
   61    HA   ALA  59           HA       ALA  59  -0.811 -13.646   4.695
   62   1HB   ALA  59          1HB       ALA  59  -0.746 -11.902   6.517
   63   2HB   ALA  59          3HB       ALA  59  -2.419 -11.488   6.172
   64   3HB   ALA  59          2HB       ALA  59  -2.022 -13.075   6.812
   65    H    ILE  60           H        ILE  60  -3.161 -11.587   3.383
   66    HA   ILE  60           HA       ILE  60  -5.388 -13.501   3.618
   67    HB   ILE  60           HB       ILE  60  -5.313 -11.070   1.741
   68   1HG1  ILE  60          2HG1      ILE  60  -5.866 -10.903   4.740
   69   2HG1  ILE  60          1HG1      ILE  60  -4.400 -10.371   3.983
   70   1HG2  ILE  60          2HG2      ILE  60  -7.312 -12.564   1.715
   71   2HG2  ILE  60          1HG2      ILE  60  -7.557 -12.290   3.433
   72   3HG2  ILE  60          3HG2      ILE  60  -7.744 -10.970   2.290
   73   1HD1  ILE  60          1HD1      ILE  60  -5.667  -8.789   2.580
   74   2HD1  ILE  60          3HD1      ILE  60  -7.133  -9.249   3.421
   75   3HD1  ILE  60          2HD1      ILE  60  -5.812  -8.490   4.302
   76    H    ILE  61           H        ILE  61  -3.486 -12.125   0.965
   77    HA   ILE  61           HA       ILE  61  -4.534 -13.858  -1.070
   78    HB   ILE  61           HB       ILE  61  -2.711 -13.072  -2.383
   79   1HG1  ILE  61          2HG1      ILE  61  -0.843 -11.750  -1.217
   80   2HG1  ILE  61          1HG1      ILE  61  -1.291 -12.795   0.139
   81   1HG2  ILE  61          2HG2      ILE  61  -4.341 -11.355  -1.910
   82   2HG2  ILE  61          1HG2      ILE  61  -3.464 -10.849  -0.484
   83   3HG2  ILE  61          3HG2      ILE  61  -2.743 -10.662  -2.070
   84   1HD1  ILE  61          3HD1      ILE  61  -0.666 -13.774  -2.644
   85   2HD1  ILE  61          2HD1      ILE  61   0.451 -13.823  -1.277
   86   3HD1  ILE  61          1HD1      ILE  61  -0.986 -14.803  -1.268
   87    H    ARG  62           H        ARG  62  -2.041 -14.226   1.370
   88    HA   ARG  62           HA       ARG  62  -0.833 -16.552   0.418
   89   1HB   ARG  62          2HB       ARG  62  -1.261 -15.369   3.143
   90   2HB   ARG  62          1HB       ARG  62  -0.732 -17.036   3.101
   91   1HG   ARG  62          2HG       ARG  62   0.647 -14.914   1.402
   92   2HG   ARG  62          1HG       ARG  62   1.142 -15.222   3.060
   93   1HD   ARG  62          2HD       ARG  62   1.946 -17.327   2.550
   94   2HD   ARG  62          1HD       ARG  62   0.844 -17.579   1.199
   95    HE   ARG  62           HE       ARG  62   2.518 -15.439   0.458
   96   1HH1  ARG  62          1HH2      ARG  62   2.121 -18.656  -0.007
   97   2HH1  ARG  62          2HH2      ARG  62   3.766 -19.054  -0.368
   98   1HH2  ARG  62          2HH1      ARG  62   4.912 -15.881   0.620
   99   2HH2  ARG  62          1HH1      ARG  62   5.405 -17.414   0.002
  100    H    ILE  63           H        ILE  63  -4.085 -16.337   1.720
  101    HA   ILE  63           HA       ILE  63  -4.248 -19.339   1.356
  102    HB   ILE  63           HB       ILE  63  -4.146 -18.615   3.773
  103   1HG1  ILE  63          2HG1      ILE  63  -7.003 -19.388   3.286
  104   2HG1  ILE  63          1HG1      ILE  63  -5.741 -20.425   2.679
  105   1HG2  ILE  63          3HG2      ILE  63  -6.703 -17.101   3.130
  106   2HG2  ILE  63          2HG2      ILE  63  -6.039 -17.342   4.743
  107   3HG2  ILE  63          1HG2      ILE  63  -5.159 -16.375   3.567
  108   1HD1  ILE  63          1HD1      ILE  63  -5.964 -19.484   5.560
  109   2HD1  ILE  63          3HD1      ILE  63  -6.398 -21.092   4.969
  110   3HD1  ILE  63          2HD1      ILE  63  -4.720 -20.554   4.913
  111    H    LEU  64           H        LEU  64  -4.674 -17.107  -0.405
  112    HA   LEU  64           HA       LEU  64  -7.622 -17.264  -0.807
  113   1HB   LEU  64          2HB       LEU  64  -6.502 -15.019  -0.717
  114   2HB   LEU  64          1HB       LEU  64  -5.437 -15.475  -2.020
  115    HG   LEU  64           HG       LEU  64  -7.482 -15.722  -3.498
  116   1HD1  LEU  64          3HD1      LEU  64  -9.211 -15.983  -1.656
  117   2HD1  LEU  64          2HD1      LEU  64  -8.896 -14.330  -1.159
  118   3HD1  LEU  64          1HD1      LEU  64  -9.604 -14.661  -2.727
  119   1HD2  LEU  64          3HD2      LEU  64  -6.128 -13.676  -3.585
  120   2HD2  LEU  64          2HD2      LEU  64  -7.822 -13.304  -3.818
  121   3HD2  LEU  64          1HD2      LEU  64  -7.064 -12.979  -2.272
  122    H    GLN  65           H        GLN  65  -5.435 -16.741  -3.444
  123    HA   GLN  65           HA       GLN  65  -6.618 -18.858  -4.915
  124   1HB   GLN  65          2HB       GLN  65  -4.734 -18.362  -6.578
  125   2HB   GLN  65          1HB       GLN  65  -5.598 -16.933  -6.071
  126   1HG   GLN  65          2HG       GLN  65  -3.380 -16.185  -5.879
  127   2HG   GLN  65          1HG       GLN  65  -3.577 -16.800  -4.246
  128   1HE2  GLN  65          2HE2      GLN  65  -0.898 -19.015  -4.775
  129   2HE2  GLN  65          1HE2      GLN  65  -1.728 -17.998  -3.687
  130    H    GLN  66           H        GLN  66  -4.657 -19.302  -2.385
  131    HA   GLN  66           HA       GLN  66  -3.022 -21.488  -3.418
  132   1HB   GLN  66          2HB       GLN  66  -3.763 -20.478  -0.625
  133   2HB   GLN  66          1HB       GLN  66  -2.809 -21.909  -0.786
  134   1HG   GLN  66          2HG       GLN  66  -1.235 -20.147  -0.506
  135   2HG   GLN  66          1HG       GLN  66  -1.197 -20.439  -2.242
  136   1HE2  GLN  66          2HE2      GLN  66  -1.454 -16.798  -1.823
  137   2HE2  GLN  66          1HE2      GLN  66  -0.280 -18.015  -1.566
  138    H    LEU  67           H        LEU  67  -6.075 -20.984  -1.858
  139    HA   LEU  67           HA       LEU  67  -6.724 -23.809  -1.490
  140   1HB   LEU  67          2HB       LEU  67  -8.580 -21.381  -1.546
  141   2HB   LEU  67          1HB       LEU  67  -8.965 -22.954  -0.895
  142    HG   LEU  67           HG       LEU  67  -6.884 -21.002   0.179
  143   1HD1  LEU  67          2HD1      LEU  67  -9.495 -22.025   1.374
  144   2HD1  LEU  67          1HD1      LEU  67  -8.358 -20.947   2.159
  145   3HD1  LEU  67          3HD1      LEU  67  -9.202 -20.417   0.729
  146   1HD2  LEU  67          1HD2      LEU  67  -7.590 -23.788   1.229
  147   2HD2  LEU  67          3HD2      LEU  67  -6.060 -23.349   0.490
  148   3HD2  LEU  67          2HD2      LEU  67  -6.520 -22.646   2.018
  149    H    LEU  68           H        LEU  68  -7.322 -21.337  -3.749
  150    HA   LEU  68           HA       LEU  68  -9.045 -22.984  -5.384
  151   1HB   LEU  68          2HB       LEU  68  -7.594 -20.333  -5.806
  152   2HB   LEU  68          1HB       LEU  68  -8.575 -20.990  -7.077
  153    HG   LEU  68           HG       LEU  68  -9.616 -20.400  -4.252
  154   1HD1  LEU  68          2HD1      LEU  68  -9.930 -18.742  -6.808
  155   2HD1  LEU  68          1HD1      LEU  68 -10.704 -18.397  -5.273
  156   3HD1  LEU  68          3HD1      LEU  68  -8.965 -18.294  -5.414
  157   1HD2  LEU  68          2HD2      LEU  68 -11.096 -20.989  -6.880
  158   2HD2  LEU  68          1HD2      LEU  68 -10.952 -22.123  -5.551
  159   3HD2  LEU  68          3HD2      LEU  68 -11.865 -20.650  -5.339
  160    H    PHE  69           H        PHE  69  -5.650 -22.276  -5.296
  161    HA   PHE  69           HA       PHE  69  -5.192 -23.470  -7.834
  162   1HB   PHE  69          2HB       PHE  69  -3.301 -22.171  -6.895
  163   2HB   PHE  69          1HB       PHE  69  -3.561 -22.849  -5.299
  164    HD1  PHE  69           HD1      PHE  69  -2.609 -24.081  -8.724
  165    HD2  PHE  69           HD2      PHE  69  -2.040 -24.357  -4.517
  166    HE1  PHE  69           HE1      PHE  69  -0.832 -25.736  -9.070
  167    HE2  PHE  69           HE2      PHE  69  -0.262 -26.014  -4.858
  168    HZ   PHE  69           HZ       PHE  69   0.345 -26.710  -7.143
  169    H    ILE  70           H        ILE  70  -5.517 -24.708  -4.559
  170    HA   ILE  70           HA       ILE  70  -4.911 -27.314  -5.699
  171    HB   ILE  70           HB       ILE  70  -5.336 -28.167  -3.400
  172   1HG1  ILE  70          2HG1      ILE  70  -5.390 -26.126  -1.690
  173   2HG1  ILE  70          1HG1      ILE  70  -6.181 -25.347  -3.029
  174   1HG2  ILE  70          1HG2      ILE  70  -3.070 -27.410  -4.099
  175   2HG2  ILE  70          3HG2      ILE  70  -3.466 -25.773  -3.609
  176   3HG2  ILE  70          2HG2      ILE  70  -3.323 -27.037  -2.406
  177   1HD1  ILE  70          2HD1      ILE  70  -7.083 -27.960  -1.809
  178   2HD1  ILE  70          1HD1      ILE  70  -7.827 -26.386  -1.532
  179   3HD1  ILE  70          3HD1      ILE  70  -7.907 -27.125  -3.110
  180    H    HIS  71           H        HIS  71  -7.652 -25.486  -5.053
  181    HA   HIS  71           HA       HIS  71  -9.481 -27.779  -5.228
  182   1HB   HIS  71          2HB       HIS  71  -9.807 -25.800  -3.774
  183   2HB   HIS  71          1HB       HIS  71  -9.963 -24.812  -5.218
  184    HD1  HIS  71           HD1      HIS  71 -12.345 -24.241  -4.097
  185    HD2  HIS  71           HD2      HIS  71 -11.878 -28.093  -5.590
  186    HE1  HIS  71           HE1      HIS  71 -14.594 -25.288  -4.379
  187    H    PHE  72           H        PHE  72  -8.125 -25.521  -7.263
  188    HA   PHE  72           HA       PHE  72 -10.012 -26.156  -9.509
  189   1HB   PHE  72          2HB       PHE  72  -8.787 -23.702  -8.717
  190   2HB   PHE  72          1HB       PHE  72  -8.036 -24.091 -10.218
  191    HD1  PHE  72           HD2      PHE  72 -11.165 -23.595  -8.338
  192    HD2  PHE  72           HD1      PHE  72  -9.495 -23.862 -12.251
  193    HE1  PHE  72           HE2      PHE  72 -13.256 -22.738  -9.276
  194    HE2  PHE  72           HE1      PHE  72 -11.593 -23.004 -13.190
  195    HZ   PHE  72           HZ       PHE  72 -13.478 -22.442 -11.712
  196    H    ARG  73           H        ARG  73  -6.582 -26.140  -8.752
  197    HA   ARG  73           HA       ARG  73  -5.818 -27.136 -11.365
  198   1HB   ARG  73          2HB       ARG  73  -4.430 -25.971  -9.377
  199   2HB   ARG  73          1HB       ARG  73  -4.115 -27.627  -8.909
  200   1HG   ARG  73          2HG       ARG  73  -3.566 -26.263 -11.523
  201   2HG   ARG  73          1HG       ARG  73  -2.394 -26.653 -10.275
  202   1HD   ARG  73          2HD       ARG  73  -2.958 -29.130 -10.634
  203   2HD   ARG  73          1HD       ARG  73  -3.908 -28.634 -12.038
  204    HE   ARG  73           HE       ARG  73  -1.751 -27.600 -12.914
  205   1HH1  ARG  73          1HH2      ARG  73  -0.377 -28.466 -10.312
  206   2HH1  ARG  73          2HH2      ARG  73   0.530 -29.837 -10.848
  207   1HH2  ARG  73          2HH1      ARG  73  -1.312 -30.082 -13.835
  208   2HH2  ARG  73          1HH1      ARG  73  -0.014 -30.780 -12.933
  209    H    ILE  74           H        ILE  74  -6.324 -28.686  -8.190
  210    HA   ILE  74           HA       ILE  74  -5.817 -31.325  -9.327
  211    HB   ILE  74           HB       ILE  74  -7.058 -30.548  -6.636
  212   1HG1  ILE  74          2HG1      ILE  74  -4.136 -31.050  -7.426
  213   2HG1  ILE  74          1HG1      ILE  74  -4.793 -29.495  -6.992
  214   1HG2  ILE  74          1HG2      ILE  74  -5.671 -33.095  -7.556
  215   2HG2  ILE  74          3HG2      ILE  74  -6.282 -32.795  -5.933
  216   3HG2  ILE  74          2HG2      ILE  74  -7.396 -32.906  -7.277
  217   1HD1  ILE  74          3HD1      ILE  74  -5.343 -30.321  -4.716
  218   2HD1  ILE  74          2HD1      ILE  74  -4.616 -31.878  -5.095
  219   3HD1  ILE  74          1HD1      ILE  74  -3.624 -30.432  -5.058
  220    H    GLY  75           H        GLY  75  -8.546 -29.300  -8.698
  221   1HA   GLY  75          2HA       GLY  75 -10.363 -31.379  -9.863
  222   2HA   GLY  75          1HA       GLY  75 -10.875 -30.302  -8.560
  223   1HN   NH2  76          1HT       GLY  75 -11.178 -27.984  -9.126
  224   2HN   NH2  76          2HT       GLY  75 -11.381 -27.554 -10.760
   
  No H/Q in entry =         224
  Start of MODEL   12
    1   1H    ACE  50A         1HA       ACE  50A  7.459   5.674   3.067
    2   2H    ACE  50A         2HA       ACE  50A  8.310   4.143   3.276
    3   3H    ACE  50A         3HA       ACE  50A  8.466   5.421   4.490
    4    H    TYR  50           H        TYR  50   7.779   3.221   5.592
    5    HA   TYR  50           HA       TYR  50   6.257   2.085   6.876
    6   1HB   TYR  50          2HB       TYR  50   4.610   4.650   6.583
    7   2HB   TYR  50          1HB       TYR  50   4.335   3.425   7.801
    8    HD1  TYR  50           HD2      TYR  50   6.577   6.136   6.725
    9    HD2  TYR  50           HD1      TYR  50   5.872   3.180   9.711
   10    HE1  TYR  50           HE2      TYR  50   8.202   7.229   8.206
   11    HE2  TYR  50           HE1      TYR  50   7.488   4.273  11.178
   12    HH   TYR  50           HH       TYR  50   9.274   5.794  11.168
   13    H    GLY  51           H        GLY  51   5.416   2.705   3.866
   14   1HA   GLY  51          2HA       GLY  51   2.672   1.760   3.741
   15   2HA   GLY  51          1HA       GLY  51   3.752   1.904   2.367
   16    H    ASP  52           H        ASP  52   4.292  -0.111   5.195
   17    HA   ASP  52           HA       ASP  52   4.566  -2.467   3.404
   18   1HB   ASP  52          2HB       ASP  52   5.079  -2.189   6.408
   19   2HB   ASP  52          1HB       ASP  52   5.525  -3.574   5.421
   20    H    THR  53           H        THR  53   1.963  -1.232   3.984
   21    HA   THR  53           HA       THR  53   0.499  -2.864   5.786
   22    HB   THR  53           HB       THR  53  -0.257  -0.518   4.990
   23    HG1  THR  53           HG1      THR  53  -2.164  -1.274   5.423
   24   1HG2  THR  53          3HG2      THR  53  -0.880  -1.997   2.373
   25   2HG2  THR  53          2HG2      THR  53  -1.248  -0.324   2.720
   26   3HG2  THR  53          1HG2      THR  53   0.419  -0.828   2.529
   27    H    TRP  54           H        TRP  54   1.543  -3.153   2.781
   28    HA   TRP  54           HA       TRP  54  -0.207  -5.044   1.813
   29   1HB   TRP  54          2HB       TRP  54   2.783  -4.665   1.214
   30   2HB   TRP  54          1HB       TRP  54   1.783  -5.763   0.271
   31    HD1  TRP  54           HD1      TRP  54   2.389  -2.006   0.775
   32    HE1  TRP  54           HE1      TRP  54   1.051  -0.706  -0.906
   33    HE3  TRP  54           HE3      TRP  54  -0.412  -5.803  -1.041
   34    HZ2  TRP  54           HZ2      TRP  54  -0.921  -1.188  -2.747
   35    HZ3  TRP  54           HZ3      TRP  54  -2.058  -5.321  -2.816
   36    HH2  TRP  54           HH2      TRP  54  -2.318  -3.011  -3.673
   37    H    ALA  55           H        ALA  55   2.147  -5.428   4.222
   38    HA   ALA  55           HA       ALA  55   2.612  -8.258   3.950
   39   1HB   ALA  55          3HB       ALA  55   2.522  -6.526   6.489
   40   2HB   ALA  55          2HB       ALA  55   3.256  -8.116   6.388
   41   3HB   ALA  55          1HB       ALA  55   3.955  -6.771   5.501
   42    H    GLY  56           H        GLY  56  -0.010  -6.387   5.125
   43   1HA   GLY  56          2HA       GLY  56  -1.382  -8.522   6.563
   44   2HA   GLY  56          1HA       GLY  56  -2.118  -6.987   6.029
   45    H    VAL  57           H        VAL  57  -1.708  -6.898   3.468
   46    HA   VAL  57           HA       VAL  57  -3.695  -8.388   2.258
   47    HB   VAL  57           HB       VAL  57  -1.127  -7.214   1.108
   48   1HG1  VAL  57          3HG1      VAL  57  -3.740  -7.909  -0.290
   49   2HG1  VAL  57          2HG1      VAL  57  -2.380  -7.096  -1.052
   50   3HG1  VAL  57          1HG1      VAL  57  -2.214  -8.757  -0.515
   51   1HG2  VAL  57          2HG2      VAL  57  -3.905  -6.001   1.381
   52   2HG2  VAL  57          1HG2      VAL  57  -2.500  -5.545   2.323
   53   3HG2  VAL  57          3HG2      VAL  57  -2.538  -5.225   0.602
   54    H    GLU  58           H        GLU  58  -0.226  -9.050   2.198
   55    HA   GLU  58           HA       GLU  58  -0.454 -11.485   0.737
   56   1HB   GLU  58          2HB       GLU  58   1.597 -10.129   2.448
   57   2HB   GLU  58          1HB       GLU  58   1.777 -11.865   2.450
   58   1HG   GLU  58          2HG       GLU  58   1.541 -10.193  -0.076
   59   2HG   GLU  58          1HG       GLU  58   3.071 -10.684   0.621
   60    H    ALA  59           H        ALA  59  -1.254 -10.922   4.015
   61    HA   ALA  59           HA       ALA  59  -1.059 -13.790   4.676
   62   1HB   ALA  59          1HB       ALA  59  -2.431 -11.471   6.147
   63   2HB   ALA  59          3HB       ALA  59  -2.161 -13.067   6.826
   64   3HB   ALA  59          2HB       ALA  59  -0.794 -12.023   6.456
   65    H    ILE  60           H        ILE  60  -3.225 -11.714   3.175
   66    HA   ILE  60           HA       ILE  60  -5.581 -13.448   3.608
   67    HB   ILE  60           HB       ILE  60  -5.450 -11.127   1.612
   68   1HG1  ILE  60          2HG1      ILE  60  -5.936 -10.773   4.623
   69   2HG1  ILE  60          1HG1      ILE  60  -4.447 -10.367   3.836
   70   1HG2  ILE  60          1HG2      ILE  60  -7.513 -12.530   1.757
   71   2HG2  ILE  60          3HG2      ILE  60  -7.663 -12.156   3.463
   72   3HG2  ILE  60          2HG2      ILE  60  -7.852 -10.893   2.265
   73   1HD1  ILE  60          2HD1      ILE  60  -5.661  -8.779   2.359
   74   2HD1  ILE  60          1HD1      ILE  60  -7.141  -9.135   3.226
   75   3HD1  ILE  60          3HD1      ILE  60  -5.793  -8.385   4.066
   76    H    ILE  61           H        ILE  61  -3.525 -12.320   0.928
   77    HA   ILE  61           HA       ILE  61  -4.642 -13.973  -1.110
   78    HB   ILE  61           HB       ILE  61  -2.776 -13.319  -2.387
   79   1HG1  ILE  61          2HG1      ILE  61  -0.861 -12.087  -1.212
   80   2HG1  ILE  61          1HG1      ILE  61  -1.341 -13.117   0.147
   81   1HG2  ILE  61          1HG2      ILE  61  -4.289 -11.500  -1.944
   82   2HG2  ILE  61          3HG2      ILE  61  -3.408 -11.050  -0.505
   83   3HG2  ILE  61          2HG2      ILE  61  -2.648 -10.913  -2.071
   84   1HD1  ILE  61          3HD1      ILE  61  -0.782 -14.097  -2.649
   85   2HD1  ILE  61          2HD1      ILE  61   0.340 -14.220  -1.300
   86   3HD1  ILE  61          1HD1      ILE  61  -1.146 -15.124  -1.289
   87    H    ARG  62           H        ARG  62  -2.033 -14.612   1.281
   88    HA   ARG  62           HA       ARG  62  -1.154 -17.048   0.249
   89   1HB   ARG  62          2HB       ARG  62  -0.251 -15.777   2.278
   90   2HB   ARG  62          1HB       ARG  62  -1.574 -16.431   3.218
   91   1HG   ARG  62          2HG       ARG  62   0.175 -18.299   1.626
   92   2HG   ARG  62          1HG       ARG  62   0.802 -17.616   3.107
   93   1HD   ARG  62          2HD       ARG  62  -0.647 -18.827   4.477
   94   2HD   ARG  62          1HD       ARG  62  -1.931 -18.912   3.291
   95    HE   ARG  62           HE       ARG  62  -0.999 -20.909   2.490
   96   1HH1  ARG  62          2HH1      ARG  62   0.666 -20.300   5.258
   97   2HH1  ARG  62          1HH1      ARG  62   2.134 -21.091   4.795
   98   1HH2  ARG  62          1HH2      ARG  62   1.065 -21.395   1.453
   99   2HH2  ARG  62          2HH2      ARG  62   2.388 -21.713   2.533
  100    H    ILE  63           H        ILE  63  -4.123 -16.340   1.998
  101    HA   ILE  63           HA       ILE  63  -4.896 -19.219   1.656
  102    HB   ILE  63           HB       ILE  63  -4.518 -18.480   4.002
  103   1HG1  ILE  63          2HG1      ILE  63  -7.507 -18.691   3.765
  104   2HG1  ILE  63          1HG1      ILE  63  -6.528 -19.960   3.100
  105   1HG2  ILE  63          2HG2      ILE  63  -6.746 -16.500   3.444
  106   2HG2  ILE  63          1HG2      ILE  63  -6.041 -16.816   5.027
  107   3HG2  ILE  63          3HG2      ILE  63  -5.066 -16.090   3.758
  108   1HD1  ILE  63          3HD1      ILE  63  -6.331 -18.939   5.945
  109   2HD1  ILE  63          2HD1      ILE  63  -7.110 -20.440   5.441
  110   3HD1  ILE  63          1HD1      ILE  63  -5.373 -20.247   5.251
  111    H    LEU  64           H        LEU  64  -5.149 -16.860  -0.127
  112    HA   LEU  64           HA       LEU  64  -8.114 -16.726  -0.333
  113   1HB   LEU  64          2HB       LEU  64  -6.672 -14.607  -0.527
  114   2HB   LEU  64          1HB       LEU  64  -5.930 -15.292  -1.963
  115    HG   LEU  64           HG       LEU  64  -8.143 -15.303  -3.092
  116   1HD1  LEU  64          2HD1      LEU  64  -9.135 -13.894  -0.558
  117   2HD1  LEU  64          1HD1      LEU  64 -10.071 -14.112  -2.023
  118   3HD1  LEU  64          3HD1      LEU  64  -9.629 -15.502  -1.062
  119   1HD2  LEU  64          1HD2      LEU  64  -7.392 -12.598  -1.924
  120   2HD2  LEU  64          3HD2      LEU  64  -6.690 -13.342  -3.354
  121   3HD2  LEU  64          2HD2      LEU  64  -8.371 -12.857  -3.357
  122    H    GLN  65           H        GLN  65  -6.592 -16.475  -3.372
  123    HA   GLN  65           HA       GLN  65  -7.795 -18.955  -4.120
  124   1HB   GLN  65          2HB       GLN  65  -6.971 -18.481  -6.359
  125   2HB   GLN  65          1HB       GLN  65  -7.455 -16.947  -5.688
  126   1HG   GLN  65          2HG       GLN  65  -4.550 -17.918  -5.765
  127   2HG   GLN  65          1HG       GLN  65  -5.279 -16.921  -6.999
  128   1HE2  GLN  65          2HE2      GLN  65  -3.475 -14.642  -4.733
  129   2HE2  GLN  65          1HE2      GLN  65  -3.052 -15.896  -5.800
  130    H    GLN  66           H        GLN  66  -5.499 -19.092  -2.071
  131    HA   GLN  66           HA       GLN  66  -3.522 -20.659  -3.599
  132   1HB   GLN  66          2HB       GLN  66  -3.022 -19.280  -1.440
  133   2HB   GLN  66          1HB       GLN  66  -3.881 -20.527  -0.569
  134   1HG   GLN  66          2HG       GLN  66  -2.334 -22.237  -1.129
  135   2HG   GLN  66          1HG       GLN  66  -1.574 -21.294  -2.402
  136   1HE2  GLN  66          2HE2      GLN  66   0.196 -19.248  -0.004
  137   2HE2  GLN  66          1HE2      GLN  66  -0.659 -19.066  -1.463
  138    H    LEU  67           H        LEU  67  -6.252 -21.121  -1.496
  139    HA   LEU  67           HA       LEU  67  -6.100 -24.041  -1.424
  140   1HB   LEU  67          2HB       LEU  67  -8.445 -22.184  -0.770
  141   2HB   LEU  67          1HB       LEU  67  -8.300 -23.859  -0.300
  142    HG   LEU  67           HG       LEU  67  -6.445 -21.613   0.618
  143   1HD1  LEU  67          1HD1      LEU  67  -8.631 -23.143   2.097
  144   2HD1  LEU  67          3HD1      LEU  67  -7.537 -21.985   2.826
  145   3HD1  LEU  67          2HD1      LEU  67  -8.696 -21.449   1.629
  146   1HD2  LEU  67          3HD2      LEU  67  -6.558 -24.543   1.487
  147   2HD2  LEU  67          2HD2      LEU  67  -5.263 -23.824   0.547
  148   3HD2  LEU  67          1HD2      LEU  67  -5.525 -23.316   2.195
  149    H    LEU  68           H        LEU  68  -7.611 -21.551  -3.171
  150    HA   LEU  68           HA       LEU  68  -9.260 -23.356  -4.747
  151   1HB   LEU  68          2HB       LEU  68  -8.427 -20.449  -5.212
  152   2HB   LEU  68          1HB       LEU  68  -9.690 -21.242  -6.097
  153    HG   LEU  68           HG       LEU  68  -9.771 -20.740  -3.066
  154   1HD1  LEU  68          1HD1      LEU  68 -11.272 -19.314  -5.319
  155   2HD1  LEU  68          3HD1      LEU  68 -11.492 -19.035  -3.603
  156   3HD1  LEU  68          2HD1      LEU  68  -9.979 -18.606  -4.367
  157   1HD2  LEU  68          3HD2      LEU  68 -11.955 -21.736  -4.975
  158   2HD2  LEU  68          2HD2      LEU  68 -11.119 -22.737  -3.801
  159   3HD2  LEU  68          1HD2      LEU  68 -12.148 -21.432  -3.258
  160    H    PHE  69           H        PHE  69  -6.153 -21.845  -5.108
  161    HA   PHE  69           HA       PHE  69  -5.928 -22.652  -7.846
  162   1HB   PHE  69          2HB       PHE  69  -4.219 -21.033  -7.125
  163   2HB   PHE  69          1HB       PHE  69  -3.955 -21.888  -5.614
  164    HD1  PHE  69           HD2      PHE  69  -3.594 -22.478  -9.295
  165    HD2  PHE  69           HD1      PHE  69  -2.065 -23.201  -5.390
  166    HE1  PHE  69           HE2      PHE  69  -1.673 -23.668 -10.266
  167    HE2  PHE  69           HE1      PHE  69  -0.148 -24.386  -6.356
  168    HZ   PHE  69           HZ       PHE  69   0.055 -24.626  -8.797
  169    H    ILE  70           H        ILE  70  -5.362 -24.207  -4.750
  170    HA   ILE  70           HA       ILE  70  -4.269 -26.438  -6.256
  171    HB   ILE  70           HB       ILE  70  -4.130 -27.565  -4.060
  172   1HG1  ILE  70          2HG1      ILE  70  -4.528 -25.866  -2.093
  173   2HG1  ILE  70          1HG1      ILE  70  -5.629 -25.145  -3.225
  174   1HG2  ILE  70          1HG2      ILE  70  -2.291 -26.082  -4.834
  175   2HG2  ILE  70          3HG2      ILE  70  -3.079 -24.701  -4.094
  176   3HG2  ILE  70          2HG2      ILE  70  -2.449 -25.997  -3.093
  177   1HD1  ILE  70          3HD1      ILE  70  -6.856 -27.332  -3.421
  178   2HD1  ILE  70          2HD1      ILE  70  -5.689 -28.037  -2.328
  179   3HD1  ILE  70          1HD1      ILE  70  -6.777 -26.766  -1.771
  180    H    HIS  71           H        HIS  71  -7.290 -25.457  -4.967
  181    HA   HIS  71           HA       HIS  71  -8.512 -28.050  -5.237
  182   1HB   HIS  71          2HB       HIS  71  -9.582 -26.076  -3.921
  183   2HB   HIS  71          1HB       HIS  71  -9.937 -25.329  -5.478
  184    HD1  HIS  71           HD1      HIS  71 -12.487 -25.611  -4.531
  185    HD2  HIS  71           HD2      HIS  71 -10.506 -29.095  -5.661
  186    HE1  HIS  71           HE1      HIS  71 -14.160 -27.435  -4.865
  187    H    PHE  72           H        PHE  72  -8.000 -25.401  -7.212
  188    HA   PHE  72           HA       PHE  72  -9.468 -26.417  -9.557
  189   1HB   PHE  72          2HB       PHE  72  -7.888 -23.945  -8.914
  190   2HB   PHE  72          1HB       PHE  72  -7.867 -24.357 -10.581
  191    HD1  PHE  72           HD1      PHE  72 -10.043 -24.490 -11.845
  192    HD2  PHE  72           HD2      PHE  72  -9.968 -23.252  -7.766
  193    HE1  PHE  72           HE1      PHE  72 -12.310 -23.603 -12.069
  194    HE2  PHE  72           HE2      PHE  72 -12.243 -22.362  -8.002
  195    HZ   PHE  72           HZ       PHE  72 -13.421 -22.531 -10.151
  196    H    ARG  73           H        ARG  73  -6.070 -26.037  -8.736
  197    HA   ARG  73           HA       ARG  73  -4.892 -27.039 -11.078
  198   1HB   ARG  73          2HB       ARG  73  -3.588 -26.151  -9.113
  199   2HB   ARG  73          1HB       ARG  73  -4.019 -27.571  -8.188
  200   1HG   ARG  73          2HG       ARG  73  -1.926 -28.238  -8.890
  201   2HG   ARG  73          1HG       ARG  73  -2.810 -28.827 -10.273
  202   1HD   ARG  73          2HD       ARG  73  -1.388 -26.137 -10.122
  203   2HD   ARG  73          1HD       ARG  73  -0.797 -27.560 -10.958
  204    HE   ARG  73           HE       ARG  73  -3.321 -26.154 -11.752
  205   1HH1  ARG  73          2HH1      ARG  73  -2.694 -28.762 -12.991
  206   2HH1  ARG  73          1HH1      ARG  73  -1.832 -28.340 -14.434
  207   1HH2  ARG  73          1HH2      ARG  73  -1.237 -25.067 -13.278
  208   2HH2  ARG  73          2HH2      ARG  73  -0.985 -26.150 -14.603
  209    H    ILE  74           H        ILE  74  -6.212 -28.859  -8.350
  210    HA   ILE  74           HA       ILE  74  -5.790 -31.373  -9.852
  211    HB   ILE  74           HB       ILE  74  -6.733 -30.968  -6.973
  212   1HG1  ILE  74          2HG1      ILE  74  -3.900 -31.225  -8.147
  213   2HG1  ILE  74          1HG1      ILE  74  -4.536 -29.854  -7.280
  214   1HG2  ILE  74          1HG2      ILE  74  -7.125 -33.204  -8.021
  215   2HG2  ILE  74          3HG2      ILE  74  -5.417 -33.310  -8.429
  216   3HG2  ILE  74          2HG2      ILE  74  -5.934 -33.302  -6.741
  217   1HD1  ILE  74          2HD1      ILE  74  -4.744 -31.176  -5.207
  218   2HD1  ILE  74          1HD1      ILE  74  -4.088 -32.584  -6.025
  219   3HD1  ILE  74          3HD1      ILE  74  -3.090 -31.168  -5.797
  220    H    GLY  75           H        GLY  75  -8.427 -29.445  -8.480
  221   1HA   GLY  75          2HA       GLY  75 -10.497 -31.380  -9.125
  222   2HA   GLY  75          1HA       GLY  75 -10.755 -29.708  -8.638
  223   1HN   NH2  76          1HT       GLY  75  -9.024 -30.987 -11.504
  224   2HN   NH2  76          2HT       GLY  75 -10.024 -30.196 -12.634
   
  No H/Q in entry =         224
  Start of MODEL   13
    1   1H    ACE  50A         1HA       ACE  50A  6.075   0.583   6.713
    2   2H    ACE  50A         2HA       ACE  50A  5.516   2.073   7.472
    3   3H    ACE  50A         3HA       ACE  50A  7.230   1.863   7.110
    4    H    TYR  50           H        TYR  50   7.687   1.475   4.736
    5    HA   TYR  50           HA       TYR  50   6.492   3.647   3.216
    6   1HB   TYR  50          2HB       TYR  50   9.001   2.468   3.190
    7   2HB   TYR  50          1HB       TYR  50   8.275   1.656   1.819
    8    HD1  TYR  50           HD1      TYR  50   7.422   3.001  -0.123
    9    HD2  TYR  50           HD2      TYR  50   9.442   4.837   3.150
   10    HE1  TYR  50           HE1      TYR  50   7.755   5.052  -1.453
   11    HE2  TYR  50           HE2      TYR  50   9.764   6.857   1.828
   12    HH   TYR  50           HH       TYR  50   9.015   7.972  -0.070
   13    H    GLY  51           H        GLY  51   4.338   2.552   3.530
   14   1HA   GLY  51          2HA       GLY  51   2.442   1.569   2.487
   15   2HA   GLY  51          1HA       GLY  51   3.387   1.571   0.995
   16    H    ASP  52           H        ASP  52   4.479   0.039   3.873
   17    HA   ASP  52           HA       ASP  52   4.706  -2.573   2.556
   18   1HB   ASP  52          2HB       ASP  52   6.561  -1.740   3.988
   19   2HB   ASP  52          1HB       ASP  52   5.469  -1.551   5.343
   20    H    THR  53           H        THR  53   2.109  -1.617   2.822
   21    HA   THR  53           HA       THR  53   0.974  -3.027   5.070
   22    HB   THR  53           HB       THR  53   0.096  -0.698   4.344
   23    HG1  THR  53           HG1      THR  53  -1.688  -1.445   5.178
   24   1HG2  THR  53          1HG2      THR  53   0.277  -1.141   1.805
   25   2HG2  THR  53          3HG2      THR  53  -1.046  -2.284   1.969
   26   3HG2  THR  53          2HG2      THR  53  -1.312  -0.589   2.305
   27    H    TRP  54           H        TRP  54   1.624  -3.518   1.987
   28    HA   TRP  54           HA       TRP  54  -0.350  -5.402   1.333
   29   1HB   TRP  54          2HB       TRP  54   2.567  -5.195   0.354
   30   2HB   TRP  54          1HB       TRP  54   1.419  -6.318  -0.362
   31    HD1  TRP  54           HD1      TRP  54   2.168  -2.542  -0.196
   32    HE1  TRP  54           HE1      TRP  54   0.736  -1.326  -1.850
   33    HE3  TRP  54           HE3      TRP  54  -0.841  -6.384  -1.520
   34    HZ2  TRP  54           HZ2      TRP  54  -1.387  -1.885  -3.501
   35    HZ3  TRP  54           HZ3      TRP  54  -2.613  -5.982  -3.195
   36    HH2  TRP  54           HH2      TRP  54  -2.888  -3.731  -4.186
   37    H    ALA  55           H        ALA  55   2.217  -5.768   3.497
   38    HA   ALA  55           HA       ALA  55   2.549  -8.622   3.355
   39   1HB   ALA  55          2HB       ALA  55   4.052  -7.137   4.749
   40   2HB   ALA  55          1HB       ALA  55   2.700  -6.808   5.825
   41   3HB   ALA  55          3HB       ALA  55   3.361  -8.429   5.714
   42    H    GLY  56           H        GLY  56   0.098  -6.572   4.628
   43   1HA   GLY  56          2HA       GLY  56  -1.260  -8.556   6.270
   44   2HA   GLY  56          1HA       GLY  56  -1.953  -7.011   5.725
   45    H    VAL  57           H        VAL  57  -1.712  -7.134   3.078
   46    HA   VAL  57           HA       VAL  57  -3.898  -8.638   2.206
   47    HB   VAL  57           HB       VAL  57  -1.457  -7.510   0.773
   48   1HG1  VAL  57          3HG1      VAL  57  -4.136  -8.402  -0.416
   49   2HG1  VAL  57          2HG1      VAL  57  -2.868  -7.581  -1.315
   50   3HG1  VAL  57          1HG1      VAL  57  -2.593  -9.196  -0.693
   51   1HG2  VAL  57          1HG2      VAL  57  -2.822  -5.807   1.953
   52   2HG2  VAL  57          3HG2      VAL  57  -2.951  -5.592   0.221
   53   3HG2  VAL  57          2HG2      VAL  57  -4.262  -6.346   1.114
   54    H    GLU  58           H        GLU  58  -0.457  -9.371   1.938
   55    HA   GLU  58           HA       GLU  58  -0.778 -11.859   0.604
   56   1HB   GLU  58          2HB       GLU  58   1.357 -10.499   2.172
   57   2HB   GLU  58          1HB       GLU  58   1.451 -12.230   2.352
   58   1HG   GLU  58          2HG       GLU  58   1.041 -11.624  -0.468
   59   2HG   GLU  58          1HG       GLU  58   2.331 -10.612   0.146
   60    H    ALA  59           H        ALA  59  -1.354 -11.114   3.909
   61    HA   ALA  59           HA       ALA  59  -1.226 -13.894   4.788
   62   1HB   ALA  59          3HB       ALA  59  -1.031 -11.954   6.380
   63   2HB   ALA  59          2HB       ALA  59  -2.682 -11.484   6.017
   64   3HB   ALA  59          1HB       ALA  59  -2.365 -12.997   6.852
   65    H    ILE  60           H        ILE  60  -3.396 -12.075   3.062
   66    HA   ILE  60           HA       ILE  60  -5.718 -13.835   3.596
   67    HB   ILE  60           HB       ILE  60  -5.545 -11.586   1.507
   68   1HG1  ILE  60          2HG1      ILE  60  -6.092 -11.146   4.489
   69   2HG1  ILE  60          1HG1      ILE  60  -4.613 -10.716   3.693
   70   1HG2  ILE  60          1HG2      ILE  60  -7.601 -12.989   1.573
   71   2HG2  ILE  60          3HG2      ILE  60  -7.836 -12.580   3.264
   72   3HG2  ILE  60          2HG2      ILE  60  -7.967 -11.340   2.032
   73   1HD1  ILE  60          3HD1      ILE  60  -5.838  -9.211   2.169
   74   2HD1  ILE  60          2HD1      ILE  60  -7.322  -9.561   3.038
   75   3HD1  ILE  60          1HD1      ILE  60  -5.985  -8.782   3.865
   76    H    ILE  61           H        ILE  61  -3.751 -12.789   0.874
   77    HA   ILE  61           HA       ILE  61  -4.848 -14.684  -0.975
   78    HB   ILE  61           HB       ILE  61  -3.003 -14.019  -2.381
   79   1HG1  ILE  61          2HG1      ILE  61  -1.110 -12.662  -1.283
   80   2HG1  ILE  61          1HG1      ILE  61  -1.592 -13.591   0.141
   81   1HG2  ILE  61          3HG2      ILE  61  -4.581 -12.187  -1.975
   82   2HG2  ILE  61          2HG2      ILE  61  -3.631 -11.637  -0.611
   83   3HG2  ILE  61          1HG2      ILE  61  -2.958 -11.584  -2.222
   84   1HD1  ILE  61          3HD1      ILE  61  -1.326 -15.710  -1.130
   85   2HD1  ILE  61          2HD1      ILE  61  -0.922 -14.768  -2.547
   86   3HD1  ILE  61          1HD1      ILE  61   0.135 -14.757  -1.129
   87    H    ARG  62           H        ARG  62  -2.298 -14.921   1.471
   88    HA   ARG  62           HA       ARG  62  -1.241 -17.404   0.691
   89   1HB   ARG  62          2HB       ARG  62  -1.454 -15.938   3.247
   90   2HB   ARG  62          1HB       ARG  62  -1.139 -17.665   3.370
   91   1HG   ARG  62          2HG       ARG  62   0.605 -17.313   1.466
   92   2HG   ARG  62          1HG       ARG  62   0.453 -15.601   1.802
   93   1HD   ARG  62          2HD       ARG  62   1.335 -15.866   3.979
   94   2HD   ARG  62          1HD       ARG  62   1.066 -17.619   3.959
   95    HE   ARG  62           HE       ARG  62   3.078 -16.190   2.267
   96   1HH1  ARG  62          1HH2      ARG  62   2.173 -18.771   1.190
   97   2HH1  ARG  62          2HH2      ARG  62   3.290 -19.907   1.866
   98   1HH2  ARG  62          2HH1      ARG  62   4.353 -17.651   4.338
   99   2HH2  ARG  62          1HH1      ARG  62   4.567 -19.252   3.721
  100    H    ILE  63           H        ILE  63  -4.490 -16.787   1.798
  101    HA   ILE  63           HA       ILE  63  -4.838 -19.727   2.073
  102    HB   ILE  63           HB       ILE  63  -6.067 -17.385   3.570
  103   1HG1  ILE  63          2HG1      ILE  63  -5.258 -19.248   5.441
  104   2HG1  ILE  63          1HG1      ILE  63  -4.090 -19.547   4.185
  105   1HG2  ILE  63          1HG2      ILE  63  -6.940 -20.266   3.643
  106   2HG2  ILE  63          3HG2      ILE  63  -7.495 -18.981   4.722
  107   3HG2  ILE  63          2HG2      ILE  63  -7.858 -18.899   3.008
  108   1HD1  ILE  63          1HD1      ILE  63  -3.440 -17.131   4.176
  109   2HD1  ILE  63          3HD1      ILE  63  -4.613 -16.822   5.438
  110   3HD1  ILE  63          2HD1      ILE  63  -3.236 -17.857   5.758
  111    H    LEU  64           H        LEU  64  -6.383 -16.745   1.182
  112    HA   LEU  64           HA       LEU  64  -8.801 -17.512   0.103
  113   1HB   LEU  64          2HB       LEU  64  -8.120 -15.172   0.435
  114   2HB   LEU  64          1HB       LEU  64  -6.861 -15.309  -0.761
  115    HG   LEU  64           HG       LEU  64  -8.656 -15.772  -2.488
  116   1HD1  LEU  64          1HD1      LEU  64 -10.533 -14.895  -0.234
  117   2HD1  LEU  64          3HD1      LEU  64 -11.005 -15.136  -1.905
  118   3HD1  LEU  64          2HD1      LEU  64 -10.491 -16.500  -0.943
  119   1HD2  LEU  64          1HD2      LEU  64  -7.680 -13.516  -2.255
  120   2HD2  LEU  64          3HD2      LEU  64  -9.376 -13.408  -2.681
  121   3HD2  LEU  64          2HD2      LEU  64  -8.871 -13.114  -1.029
  122    H    GLN  65           H        GLN  65  -6.417 -16.518  -2.310
  123    HA   GLN  65           HA       GLN  65  -7.523 -18.658  -3.937
  124   1HB   GLN  65          2HB       GLN  65  -5.889 -17.795  -5.670
  125   2HB   GLN  65          1HB       GLN  65  -6.964 -16.546  -5.109
  126   1HG   GLN  65          2HG       GLN  65  -5.254 -15.470  -3.872
  127   2HG   GLN  65          1HG       GLN  65  -4.239 -16.910  -3.790
  128   1HE2  GLN  65          2HE2      GLN  65  -2.485 -15.633  -6.536
  129   2HE2  GLN  65          1HE2      GLN  65  -2.412 -16.207  -4.938
  130    H    GLN  66           H        GLN  66  -5.462 -18.810  -1.486
  131    HA   GLN  66           HA       GLN  66  -3.409 -20.411  -2.883
  132   1HB   GLN  66          2HB       GLN  66  -3.640 -19.256  -0.324
  133   2HB   GLN  66          1HB       GLN  66  -3.724 -20.963   0.014
  134   1HG   GLN  66          2HG       GLN  66  -1.373 -20.312   0.093
  135   2HG   GLN  66          1HG       GLN  66  -1.602 -21.305  -1.332
  136   1HE2  GLN  66          2HE2      GLN  66  -1.624 -17.511  -2.628
  137   2HE2  GLN  66          1HE2      GLN  66  -2.938 -18.122  -1.746
  138    H    LEU  67           H        LEU  67  -6.399 -20.940  -1.155
  139    HA   LEU  67           HA       LEU  67  -6.072 -23.865  -1.367
  140   1HB   LEU  67          2HB       LEU  67  -8.174 -23.950  -0.137
  141   2HB   LEU  67          1HB       LEU  67  -7.119 -22.811   0.642
  142    HG   LEU  67           HG       LEU  67  -8.455 -20.994  -0.740
  143   1HD1  LEU  67          2HD1      LEU  67  -9.791 -22.663  -2.138
  144   2HD1  LEU  67          1HD1      LEU  67 -10.472 -23.285  -0.657
  145   3HD1  LEU  67          3HD1      LEU  67 -10.817 -21.647  -1.162
  146   1HD2  LEU  67          2HD2      LEU  67  -9.711 -22.480   1.606
  147   2HD2  LEU  67          1HD2      LEU  67  -8.501 -21.212   1.717
  148   3HD2  LEU  67          3HD2      LEU  67 -10.095 -20.841   1.108
  149    H    LEU  68           H        LEU  68  -7.526 -21.249  -2.988
  150    HA   LEU  68           HA       LEU  68  -9.189 -22.934  -4.680
  151   1HB   LEU  68          2HB       LEU  68  -8.257 -20.049  -5.015
  152   2HB   LEU  68          1HB       LEU  68  -9.528 -20.770  -5.955
  153    HG   LEU  68           HG       LEU  68  -9.709 -20.439  -2.915
  154   1HD1  LEU  68          3HD1      LEU  68 -10.931 -18.714  -5.120
  155   2HD1  LEU  68          2HD1      LEU  68 -11.237 -18.550  -3.403
  156   3HD1  LEU  68          1HD1      LEU  68  -9.645 -18.211  -4.038
  157   1HD2  LEU  68          2HD2      LEU  68 -11.841 -21.045  -5.046
  158   2HD2  LEU  68          1HD2      LEU  68 -11.188 -22.233  -3.936
  159   3HD2  LEU  68          3HD2      LEU  68 -12.131 -20.894  -3.324
  160    H    PHE  69           H        PHE  69  -6.038 -21.462  -4.950
  161    HA   PHE  69           HA       PHE  69  -5.782 -22.163  -7.703
  162   1HB   PHE  69          2HB       PHE  69  -4.088 -20.557  -6.944
  163   2HB   PHE  69          1HB       PHE  69  -3.917 -21.367  -5.400
  164    HD1  PHE  69           HD2      PHE  69  -3.265 -22.076  -9.019
  165    HD2  PHE  69           HD1      PHE  69  -2.023 -22.588  -4.979
  166    HE1  PHE  69           HE2      PHE  69  -1.252 -23.234  -9.783
  167    HE2  PHE  69           HE1      PHE  69  -0.010 -23.744  -5.735
  168    HZ   PHE  69           HZ       PHE  69   0.392 -24.080  -8.148
  169    H    ILE  70           H        ILE  70  -5.321 -23.872  -4.703
  170    HA   ILE  70           HA       ILE  70  -4.124 -26.001  -6.266
  171    HB   ILE  70           HB       ILE  70  -3.996 -27.208  -4.140
  172   1HG1  ILE  70          2HG1      ILE  70  -4.511 -25.638  -2.089
  173   2HG1  ILE  70          1HG1      ILE  70  -5.653 -24.949  -3.213
  174   1HG2  ILE  70          2HG2      ILE  70  -2.188 -25.621  -4.762
  175   2HG2  ILE  70          1HG2      ILE  70  -3.060 -24.309  -3.995
  176   3HG2  ILE  70          3HG2      ILE  70  -2.403 -25.609  -3.022
  177   1HD1  ILE  70          1HD1      ILE  70  -6.696 -27.211  -3.545
  178   2HD1  ILE  70          3HD1      ILE  70  -5.504 -27.880  -2.455
  179   3HD1  ILE  70          2HD1      ILE  70  -6.702 -26.728  -1.867
  180    H    HIS  71           H        HIS  71  -7.205 -25.116  -4.992
  181    HA   HIS  71           HA       HIS  71  -8.324 -27.752  -5.368
  182   1HB   HIS  71          2HB       HIS  71  -9.392 -25.753  -4.054
  183   2HB   HIS  71          1HB       HIS  71  -9.860 -25.108  -5.625
  184    HD1  HIS  71           HD1      HIS  71 -11.318 -27.002  -3.060
  185    HD2  HIS  71           HD2      HIS  71 -11.139 -27.371  -7.191
  186    HE1  HIS  71           HE1      HIS  71 -13.183 -28.478  -3.828
  187    H    PHE  72           H        PHE  72  -7.997 -24.947  -7.182
  188    HA   PHE  72           HA       PHE  72  -9.269 -25.912  -9.621
  189   1HB   PHE  72          2HB       PHE  72  -7.758 -23.431  -8.832
  190   2HB   PHE  72          1HB       PHE  72  -7.711 -23.765 -10.514
  191    HD1  PHE  72           HD2      PHE  72  -9.936 -23.077  -7.631
  192    HD2  PHE  72           HD1      PHE  72  -9.810 -23.749 -11.839
  193    HE1  PHE  72           HE2      PHE  72 -12.251 -22.296  -7.826
  194    HE2  PHE  72           HE1      PHE  72 -12.121 -22.972 -12.026
  195    HZ   PHE  72           HZ       PHE  72 -13.354 -22.246 -10.030
  196    H    ARG  73           H        ARG  73  -5.887 -25.415  -8.771
  197    HA   ARG  73           HA       ARG  73  -4.784 -26.426 -11.181
  198   1HB   ARG  73          2HB       ARG  73  -3.382 -25.348  -9.402
  199   2HB   ARG  73          1HB       ARG  73  -3.630 -26.745  -8.361
  200   1HG   ARG  73          2HG       ARG  73  -2.479 -28.198  -9.949
  201   2HG   ARG  73          1HG       ARG  73  -2.401 -26.916 -11.143
  202   1HD   ARG  73          2HD       ARG  73  -0.211 -27.144 -10.068
  203   2HD   ARG  73          1HD       ARG  73  -0.915 -25.617  -9.564
  204    HE   ARG  73           HE       ARG  73  -1.546 -26.732  -7.417
  205   1HH1  ARG  73          2HH1      ARG  73  -0.908 -29.435  -8.736
  206   2HH1  ARG  73          1HH1      ARG  73   0.530 -29.903  -7.891
  207   1HH2  ARG  73          1HH2      ARG  73   0.984 -26.640  -6.622
  208   2HH2  ARG  73          2HH2      ARG  73   1.648 -28.234  -6.626
  209    H    ILE  74           H        ILE  74  -5.870 -28.150  -8.287
  210    HA   ILE  74           HA       ILE  74  -5.198 -30.738  -9.522
  211    HB   ILE  74           HB       ILE  74  -6.545 -30.042  -6.867
  212   1HG1  ILE  74          2HG1      ILE  74  -3.619 -30.503  -7.643
  213   2HG1  ILE  74          1HG1      ILE  74  -4.279 -28.997  -7.085
  214   1HG2  ILE  74          2HG2      ILE  74  -6.872 -32.403  -7.611
  215   2HG2  ILE  74          1HG2      ILE  74  -5.140 -32.580  -7.818
  216   3HG2  ILE  74          3HG2      ILE  74  -5.826 -32.339  -6.215
  217   1HD1  ILE  74          3HD1      ILE  74  -4.814 -29.975  -4.873
  218   2HD1  ILE  74          2HD1      ILE  74  -4.081 -31.496  -5.371
  219   3HD1  ILE  74          1HD1      ILE  74  -3.097 -30.055  -5.234
  220    H    GLY  75           H        GLY  75  -7.769 -28.603  -9.482
  221   1HA   GLY  75          2HA       GLY  75  -9.842 -28.711 -10.599
  222   2HA   GLY  75          1HA       GLY  75  -9.506 -30.398 -11.008
  223   1HN   NH2  76          1HT       GLY  75  -9.180 -31.540  -8.521
  224   2HN   NH2  76          2HT       GLY  75 -10.619 -31.402  -7.613
   
  No H/Q in entry =         224
  Start of MODEL   14
    1   1H    ACE  50A         1HA       ACE  50A  4.264   4.902   6.054
    2   2H    ACE  50A         2HA       ACE  50A  5.904   5.052   5.429
    3   3H    ACE  50A         3HA       ACE  50A  5.228   3.456   5.726
    4    H    TYR  50           H        TYR  50   2.854   3.528   4.632
    5    HA   TYR  50           HA       TYR  50   1.506   3.622   2.703
    6   1HB   TYR  50          2HB       TYR  50   2.617   5.895   2.159
    7   2HB   TYR  50          1HB       TYR  50   3.826   5.001   1.262
    8    HD1  TYR  50           HD1      TYR  50   3.255   3.815  -0.828
    9    HD2  TYR  50           HD2      TYR  50   0.340   6.126   1.249
   10    HE1  TYR  50           HE1      TYR  50   1.818   3.819  -2.826
   11    HE2  TYR  50           HE2      TYR  50  -1.080   6.117  -0.740
   12    HH   TYR  50           HH       TYR  50  -0.527   5.869  -3.409
   13    H    GLY  51           H        GLY  51   1.470   1.465   2.370
   14   1HA   GLY  51          2HA       GLY  51   1.956  -0.130   0.496
   15   2HA   GLY  51          1HA       GLY  51   3.651   0.274   0.678
   16    H    ASP  52           H        ASP  52   2.907   0.291   3.701
   17    HA   ASP  52           HA       ASP  52   3.950  -2.368   4.244
   18   1HB   ASP  52          2HB       ASP  52   2.669  -0.472   6.274
   19   2HB   ASP  52          1HB       ASP  52   3.909  -1.676   6.575
   20    H    THR  53           H        THR  53   0.953  -0.995   3.578
   21    HA   THR  53           HA       THR  53  -0.699  -2.495   5.151
   22    HB   THR  53           HB       THR  53  -1.650  -1.621   2.376
   23    HG1  THR  53           HG1      THR  53  -1.325   0.606   3.746
   24   1HG2  THR  53          2HG2      THR  53  -3.230  -2.041   4.353
   25   2HG2  THR  53          1HG2      THR  53  -2.479  -0.707   5.205
   26   3HG2  THR  53          3HG2      THR  53  -3.378  -0.416   3.720
   27    H    TRP  54           H        TRP  54   0.892  -2.999   2.397
   28    HA   TRP  54           HA       TRP  54  -0.603  -5.173   1.487
   29   1HB   TRP  54          2HB       TRP  54   2.308  -4.443   0.927
   30   2HB   TRP  54          1HB       TRP  54   1.542  -5.830   0.150
   31    HD1  TRP  54           HD1      TRP  54   1.462  -2.042   0.194
   32    HE1  TRP  54           HE1      TRP  54   0.035  -1.127  -1.665
   33    HE3  TRP  54           HE3      TRP  54  -0.578  -6.398  -1.346
   34    HZ2  TRP  54           HZ2      TRP  54  -1.698  -2.092  -3.506
   35    HZ3  TRP  54           HZ3      TRP  54  -2.179  -6.334  -3.239
   36    HH2  TRP  54           HH2      TRP  54  -2.739  -4.178  -4.318
   37    H    ALA  55           H        ALA  55   1.532  -5.008   4.102
   38    HA   ALA  55           HA       ALA  55   2.403  -7.777   4.084
   39   1HB   ALA  55          1HB       ALA  55   3.488  -6.008   5.558
   40   2HB   ALA  55          3HB       ALA  55   1.992  -5.886   6.474
   41   3HB   ALA  55          2HB       ALA  55   2.924  -7.374   6.507
   42    H    GLY  56           H        GLY  56  -0.446  -6.127   5.151
   43   1HA   GLY  56          2HA       GLY  56  -1.570  -8.396   6.609
   44   2HA   GLY  56          1HA       GLY  56  -2.468  -6.942   6.101
   45    H    VAL  57           H        VAL  57  -2.006  -6.810   3.499
   46    HA   VAL  57           HA       VAL  57  -3.845  -8.491   2.285
   47    HB   VAL  57           HB       VAL  57  -1.388  -7.122   1.135
   48   1HG1  VAL  57          2HG1      VAL  57  -3.969  -8.026  -0.218
   49   2HG1  VAL  57          1HG1      VAL  57  -2.704  -7.101  -1.007
   50   3HG1  VAL  57          3HG1      VAL  57  -2.387  -8.746  -0.480
   51   1HG2  VAL  57          3HG2      VAL  57  -2.927  -5.556   2.354
   52   2HG2  VAL  57          2HG2      VAL  57  -2.975  -5.245   0.632
   53   3HG2  VAL  57          1HG2      VAL  57  -4.276  -6.134   1.402
   54    H    GLU  58           H        GLU  58  -0.343  -8.882   2.347
   55    HA   GLU  58           HA       GLU  58  -0.207 -11.293   0.883
   56   1HB   GLU  58          2HB       GLU  58   1.442 -10.129   3.174
   57   2HB   GLU  58          1HB       GLU  58   1.907 -11.629   2.429
   58   1HG   GLU  58          2HG       GLU  58   1.429  -9.185   0.678
   59   2HG   GLU  58          1HG       GLU  58   2.922  -9.298   1.591
   60    H    ALA  59           H        ALA  59  -1.193 -10.782   4.130
   61    HA   ALA  59           HA       ALA  59  -0.920 -13.599   4.860
   62   1HB   ALA  59          3HB       ALA  59  -1.038 -11.755   6.587
   63   2HB   ALA  59          2HB       ALA  59  -2.681 -11.394   6.093
   64   3HB   ALA  59          1HB       ALA  59  -2.318 -12.933   6.854
   65    H    ILE  60           H        ILE  60  -3.236 -11.662   3.341
   66    HA   ILE  60           HA       ILE  60  -5.415 -13.607   3.480
   67    HB   ILE  60           HB       ILE  60  -5.194 -11.267   1.516
   68   1HG1  ILE  60          2HG1      ILE  60  -6.039 -11.058   4.459
   69   2HG1  ILE  60          1HG1      ILE  60  -4.512 -10.487   3.850
   70   1HG2  ILE  60          2HG2      ILE  60  -7.179 -12.777   1.352
   71   2HG2  ILE  60          1HG2      ILE  60  -7.563 -12.460   3.036
   72   3HG2  ILE  60          3HG2      ILE  60  -7.658 -11.167   1.848
   73   1HD1  ILE  60          3HD1      ILE  60  -5.692  -8.963   2.295
   74   2HD1  ILE  60          2HD1      ILE  60  -7.202  -9.430   3.046
   75   3HD1  ILE  60          1HD1      ILE  60  -5.955  -8.639   4.002
   76    H    ILE  61           H        ILE  61  -3.323 -12.371   0.890
   77    HA   ILE  61           HA       ILE  61  -4.131 -14.169  -1.170
   78    HB   ILE  61           HB       ILE  61  -2.200 -13.363  -2.327
   79   1HG1  ILE  61          2HG1      ILE  61  -0.520 -11.974  -1.016
   80   2HG1  ILE  61          1HG1      ILE  61  -1.063 -12.993   0.319
   81   1HG2  ILE  61          1HG2      ILE  61  -3.928 -11.681  -1.973
   82   2HG2  ILE  61          3HG2      ILE  61  -3.143 -11.123  -0.512
   83   3HG2  ILE  61          2HG2      ILE  61  -2.337 -10.952  -2.055
   84   1HD1  ILE  61          1HD1      ILE  61  -0.566 -15.029  -1.068
   85   2HD1  ILE  61          3HD1      ILE  61  -0.088 -13.967  -2.372
   86   3HD1  ILE  61          2HD1      ILE  61   0.839 -14.002  -0.867
   87    H    ARG  62           H        ARG  62  -1.720 -14.462   1.421
   88    HA   ARG  62           HA       ARG  62  -0.518 -16.871   0.628
   89   1HB   ARG  62          2HB       ARG  62  -1.189 -15.713   3.343
   90   2HB   ARG  62          1HB       ARG  62  -0.450 -17.294   3.258
   91   1HG   ARG  62          2HG       ARG  62   0.894 -15.070   1.731
   92   2HG   ARG  62          1HG       ARG  62   0.976 -15.014   3.478
   93   1HD   ARG  62          2HD       ARG  62   2.935 -16.174   2.685
   94   2HD   ARG  62          1HD       ARG  62   1.901 -17.373   3.448
   95    HE   ARG  62           HE       ARG  62   1.455 -17.171   0.580
   96   1HH1  ARG  62          1HH2      ARG  62   4.153 -17.875   2.415
   97   2HH1  ARG  62          2HH2      ARG  62   4.392 -19.480   1.819
   98   1HH2  ARG  62          2HH1      ARG  62   1.373 -19.512   0.046
   99   2HH2  ARG  62          1HH1      ARG  62   2.773 -20.425   0.457
  100    H    ILE  63           H        ILE  63  -3.762 -16.471   2.020
  101    HA   ILE  63           HA       ILE  63  -4.088 -19.447   1.894
  102    HB   ILE  63           HB       ILE  63  -5.371 -17.267   3.559
  103   1HG1  ILE  63          2HG1      ILE  63  -4.502 -19.222   5.296
  104   2HG1  ILE  63          1HG1      ILE  63  -3.321 -19.404   4.028
  105   1HG2  ILE  63          2HG2      ILE  63  -6.148 -20.173   3.431
  106   2HG2  ILE  63          1HG2      ILE  63  -6.719 -19.004   4.629
  107   3HG2  ILE  63          3HG2      ILE  63  -7.116 -18.784   2.934
  108   1HD1  ILE  63          2HD1      ILE  63  -2.772 -16.971   4.176
  109   2HD1  ILE  63          1HD1      ILE  63  -3.947 -16.788   5.460
  110   3HD1  ILE  63          3HD1      ILE  63  -2.523 -17.782   5.707
  111    H    LEU  64           H        LEU  64  -5.109 -16.539   0.508
  112    HA   LEU  64           HA       LEU  64  -7.744 -17.105  -0.353
  113   1HB   LEU  64          2HB       LEU  64  -6.583 -14.854  -0.404
  114   2HB   LEU  64          1HB       LEU  64  -5.566 -15.442  -1.702
  115    HG   LEU  64           HG       LEU  64  -7.552 -15.728  -3.138
  116   1HD1  LEU  64          2HD1      LEU  64  -9.036 -14.304  -0.853
  117   2HD1  LEU  64          1HD1      LEU  64  -9.720 -14.656  -2.426
  118   3HD1  LEU  64          3HD1      LEU  64  -9.317 -15.968  -1.340
  119   1HD2  LEU  64          2HD2      LEU  64  -7.224 -12.927  -1.996
  120   2HD2  LEU  64          1HD2      LEU  64  -6.262 -13.635  -3.282
  121   3HD2  LEU  64          3HD2      LEU  64  -7.960 -13.304  -3.543
  122    H    GLN  65           H        GLN  65  -5.462 -16.804  -3.037
  123    HA   GLN  65           HA       GLN  65  -6.780 -19.054  -4.211
  124   1HB   GLN  65          2HB       GLN  65  -5.068 -18.802  -6.057
  125   2HB   GLN  65          1HB       GLN  65  -5.890 -17.302  -5.706
  126   1HG   GLN  65          2HG       GLN  65  -3.199 -17.887  -4.408
  127   2HG   GLN  65          1HG       GLN  65  -3.282 -17.262  -6.044
  128   1HE2  GLN  65          2HE2      GLN  65  -3.097 -14.243  -4.018
  129   2HE2  GLN  65          1HE2      GLN  65  -2.052 -15.457  -4.591
  130    H    GLN  66           H        GLN  66  -4.748 -19.193  -1.715
  131    HA   GLN  66           HA       GLN  66  -2.908 -21.229  -2.711
  132   1HB   GLN  66          2HB       GLN  66  -3.384 -19.911  -0.156
  133   2HB   GLN  66          1HB       GLN  66  -3.464 -21.630   0.126
  134   1HG   GLN  66          2HG       GLN  66  -1.149 -20.974   0.425
  135   2HG   GLN  66          1HG       GLN  66  -1.218 -21.875  -1.074
  136   1HE2  GLN  66          2HE2      GLN  66  -1.223 -18.077  -2.264
  137   2HE2  GLN  66          1HE2      GLN  66  -2.613 -18.857  -1.686
  138    H    LEU  67           H        LEU  67  -6.051 -21.145  -1.220
  139    HA   LEU  67           HA       LEU  67  -6.330 -24.073  -1.150
  140   1HB   LEU  67          2HB       LEU  67  -8.466 -21.916  -0.870
  141   2HB   LEU  67          1HB       LEU  67  -8.584 -23.577  -0.337
  142    HG   LEU  67           HG       LEU  67  -6.580 -21.545   0.725
  143   1HD1  LEU  67          3HD1      LEU  67  -9.140 -22.679   1.978
  144   2HD1  LEU  67          2HD1      LEU  67  -8.004 -21.605   2.778
  145   3HD1  LEU  67          1HD1      LEU  67  -8.912 -21.033   1.399
  146   1HD2  LEU  67          3HD2      LEU  67  -7.234 -24.369   1.715
  147   2HD2  LEU  67          2HD2      LEU  67  -5.736 -23.891   0.935
  148   3HD2  LEU  67          1HD2      LEU  67  -6.145 -23.240   2.502
  149    H    LEU  68           H        LEU  68  -6.899 -21.576  -3.255
  150    HA   LEU  68           HA       LEU  68  -8.718 -23.017  -5.011
  151   1HB   LEU  68          2HB       LEU  68  -7.114 -20.483  -5.383
  152   2HB   LEU  68          1HB       LEU  68  -8.158 -21.120  -6.603
  153    HG   LEU  68           HG       LEU  68  -9.179 -20.369  -3.808
  154   1HD1  LEU  68          1HD1      LEU  68  -9.420 -18.771  -6.412
  155   2HD1  LEU  68          3HD1      LEU  68 -10.191 -18.353  -4.892
  156   3HD1  LEU  68          2HD1      LEU  68  -8.452 -18.275  -5.036
  157   1HD2  LEU  68          3HD2      LEU  68 -10.665 -20.971  -6.426
  158   2HD2  LEU  68          2HD2      LEU  68 -10.589 -22.057  -5.054
  159   3HD2  LEU  68          1HD2      LEU  68 -11.425 -20.533  -4.912
  160    H    PHE  69           H        PHE  69  -5.339 -22.557  -4.624
  161    HA   PHE  69           HA       PHE  69  -4.666 -23.372  -7.214
  162   1HB   PHE  69          2HB       PHE  69  -2.920 -22.533  -5.648
  163   2HB   PHE  69          1HB       PHE  69  -3.350 -23.775  -4.470
  164    HD1  PHE  69           HD2      PHE  69  -2.013 -23.344  -7.872
  165    HD2  PHE  69           HD1      PHE  69  -2.173 -25.837  -4.432
  166    HE1  PHE  69           HE2      PHE  69  -0.299 -24.792  -8.860
  167    HE2  PHE  69           HE1      PHE  69  -0.463 -27.307  -5.422
  168    HZ   PHE  69           HZ       PHE  69   0.478 -26.794  -7.630
  169    H    ILE  70           H        ILE  70  -5.503 -25.175  -4.309
  170    HA   ILE  70           HA       ILE  70  -5.113 -27.519  -6.025
  171    HB   ILE  70           HB       ILE  70  -6.139 -28.721  -3.907
  172   1HG1  ILE  70          2HG1      ILE  70  -6.727 -26.382  -3.012
  173   2HG1  ILE  70          1HG1      ILE  70  -6.128 -27.636  -1.966
  174   1HG2  ILE  70          3HG2      ILE  70  -3.337 -27.536  -3.932
  175   2HG2  ILE  70          2HG2      ILE  70  -3.861 -28.876  -2.922
  176   3HG2  ILE  70          1HG2      ILE  70  -3.830 -29.049  -4.668
  177   1HD1  ILE  70          1HD1      ILE  70  -4.331 -25.472  -3.043
  178   2HD1  ILE  70          3HD1      ILE  70  -5.060 -25.486  -1.448
  179   3HD1  ILE  70          2HD1      ILE  70  -3.920 -26.721  -1.893
  180    H    HIS  71           H        HIS  71  -7.615 -25.485  -5.025
  181    HA   HIS  71           HA       HIS  71  -9.713 -27.429  -5.667
  182   1HB   HIS  71          2HB       HIS  71  -9.715 -25.520  -3.947
  183   2HB   HIS  71          1HB       HIS  71  -9.896 -24.434  -5.313
  184    HD1  HIS  71           HD1      HIS  71 -11.890 -26.038  -2.929
  185    HD2  HIS  71           HD2      HIS  71 -12.229 -25.306  -6.997
  186    HE1  HIS  71           HE1      HIS  71 -14.295 -26.223  -3.575
  187    H    PHE  72           H        PHE  72  -7.691 -25.359  -7.304
  188    HA   PHE  72           HA       PHE  72  -9.383 -25.346  -9.758
  189   1HB   PHE  72          2HB       PHE  72  -7.675 -23.257  -8.672
  190   2HB   PHE  72          1HB       PHE  72  -6.958 -23.742 -10.163
  191    HD1  PHE  72           HD2      PHE  72  -8.469 -23.596 -12.263
  192    HD2  PHE  72           HD1      PHE  72  -9.760 -22.214  -8.445
  193    HE1  PHE  72           HE2      PHE  72 -10.271 -22.317 -13.332
  194    HE2  PHE  72           HE1      PHE  72 -11.566 -20.933  -9.515
  195    HZ   PHE  72           HZ       PHE  72 -11.825 -20.982 -11.956
  196    H    ARG  73           H        ARG  73  -6.124 -26.183  -8.629
  197    HA   ARG  73           HA       ARG  73  -5.106 -27.094 -11.102
  198   1HB   ARG  73          2HB       ARG  73  -4.644 -27.942  -8.240
  199   2HB   ARG  73          1HB       ARG  73  -3.964 -28.945  -9.482
  200   1HG   ARG  73          2HG       ARG  73  -3.431 -25.947  -9.305
  201   2HG   ARG  73          1HG       ARG  73  -2.384 -27.176  -8.624
  202   1HD   ARG  73          2HD       ARG  73  -2.172 -28.188 -10.952
  203   2HD   ARG  73          1HD       ARG  73  -3.086 -26.826 -11.576
  204    HE   ARG  73           HE       ARG  73  -0.486 -26.552 -10.119
  205   1HH1  ARG  73          1HH2      ARG  73  -2.598 -25.642 -12.728
  206   2HH1  ARG  73          2HH2      ARG  73  -1.536 -24.411 -13.304
  207   1HH2  ARG  73          2HH1      ARG  73   0.846 -24.932 -10.813
  208   2HH2  ARG  73          1HH1      ARG  73   0.413 -23.994 -12.189
  209    H    ILE  74           H        ILE  74  -7.392 -28.664  -9.004
  210    HA   ILE  74           HA       ILE  74  -7.354 -31.211 -10.420
  211    HB   ILE  74           HB       ILE  74  -9.336 -30.010  -8.403
  212   1HG1  ILE  74          2HG1      ILE  74  -6.896 -31.814  -8.139
  213   2HG1  ILE  74          1HG1      ILE  74  -6.984 -30.165  -7.593
  214   1HG2  ILE  74          1HG2      ILE  74 -10.303 -31.944  -9.674
  215   2HG2  ILE  74          3HG2      ILE  74  -8.909 -32.919  -9.241
  216   3HG2  ILE  74          2HG2      ILE  74 -10.030 -32.363  -8.003
  217   1HD1  ILE  74          3HD1      ILE  74  -8.748 -30.732  -5.956
  218   2HD1  ILE  74          2HD1      ILE  74  -8.650 -32.433  -6.418
  219   3HD1  ILE  74          1HD1      ILE  74  -7.276 -31.641  -5.669
  220    H    GLY  75           H        GLY  75  -8.680 -28.259 -11.054
  221   1HA   GLY  75          2HA       GLY  75  -9.745 -28.748 -13.576
  222   2HA   GLY  75          1HA       GLY  75 -11.099 -29.031 -12.485
  223   1HN   NH2  76          1HT       GLY  75 -10.645 -26.959 -10.568
  224   2HN   NH2  76          2HT       GLY  75 -10.808 -25.470 -11.384
   
  No H/Q in entry =         224
  Start of MODEL   15
    1   1H    ACE  50A         1HA       ACE  50A  1.642   5.785   3.883
    2   2H    ACE  50A         2HA       ACE  50A  1.912   6.075   2.158
    3   3H    ACE  50A         3HA       ACE  50A  3.209   6.359   3.317
    4    H    TYR  50           H        TYR  50   0.956   3.717   2.801
    5    HA   TYR  50           HA       TYR  50   1.186   1.464   2.376
    6   1HB   TYR  50          2HB       TYR  50   4.140   1.946   1.725
    7   2HB   TYR  50          1HB       TYR  50   3.137   0.611   1.215
    8    HD1  TYR  50           HD1      TYR  50   1.270   1.024  -0.483
    9    HD2  TYR  50           HD2      TYR  50   4.124   4.021   0.541
   10    HE1  TYR  50           HE1      TYR  50   0.668   2.304  -2.484
   11    HE2  TYR  50           HE2      TYR  50   3.520   5.283  -1.453
   12    HH   TYR  50           HH       TYR  50   1.771   5.518  -3.034
   13    H    GLY  51           H        GLY  51   4.067   2.405   3.585
   14   1HA   GLY  51          2HA       GLY  51   5.498   1.813   5.404
   15   2HA   GLY  51          1HA       GLY  51   4.005   1.540   6.305
   16    H    ASP  52           H        ASP  52   2.961  -0.473   5.950
   17    HA   ASP  52           HA       ASP  52   4.204  -2.763   4.721
   18   1HB   ASP  52          2HB       ASP  52   5.843  -2.493   6.574
   19   2HB   ASP  52          1HB       ASP  52   4.544  -2.478   7.744
   20    H    THR  53           H        THR  53   1.439  -1.359   5.521
   21    HA   THR  53           HA       THR  53   0.124  -3.436   7.004
   22    HB   THR  53           HB       THR  53  -0.819  -1.039   6.929
   23    HG1  THR  53           HG1      THR  53  -2.224  -3.334   6.332
   24   1HG2  THR  53          1HG2      THR  53  -1.555  -1.770   4.031
   25   2HG2  THR  53          3HG2      THR  53  -1.992  -0.306   4.884
   26   3HG2  THR  53          2HG2      THR  53  -0.319  -0.591   4.447
   27    H    TRP  54           H        TRP  54   1.019  -3.009   3.972
   28    HA   TRP  54           HA       TRP  54  -0.899  -4.623   2.721
   29   1HB   TRP  54          2HB       TRP  54   1.977  -3.917   1.931
   30   2HB   TRP  54          1HB       TRP  54   0.937  -4.861   0.865
   31    HD1  TRP  54           HD1      TRP  54   1.342  -1.263   2.187
   32    HE1  TRP  54           HE1      TRP  54  -0.338   0.251   1.039
   33    HE3  TRP  54           HE3      TRP  54  -1.420  -4.809  -0.125
   34    HZ2  TRP  54           HZ2      TRP  54  -2.505  -0.007  -0.587
   35    HZ3  TRP  54           HZ3      TRP  54  -3.344  -4.112  -1.501
   36    HH2  TRP  54           HH2      TRP  54  -3.889  -1.701  -1.732
   37    H    ALA  55           H        ALA  55   1.681  -5.446   4.743
   38    HA   ALA  55           HA       ALA  55   2.165  -8.141   3.821
   39   1HB   ALA  55          2HB       ALA  55   2.385  -6.977   6.657
   40   2HB   ALA  55          1HB       ALA  55   3.092  -8.493   6.133
   41   3HB   ALA  55          3HB       ALA  55   3.676  -6.981   5.468
   42    H    GLY  56           H        GLY  56  -0.286  -6.615   5.709
   43   1HA   GLY  56          2HA       GLY  56  -1.470  -9.086   6.760
   44   2HA   GLY  56          1HA       GLY  56  -2.209  -7.476   6.817
   45    H    VAL  57           H        VAL  57  -1.693  -7.114   3.984
   46    HA   VAL  57           HA       VAL  57  -4.154  -8.193   2.945
   47    HB   VAL  57           HB       VAL  57  -1.860  -6.556   1.755
   48   1HG1  VAL  57          3HG1      VAL  57  -4.672  -7.026   0.661
   49   2HG1  VAL  57          2HG1      VAL  57  -3.478  -5.946  -0.043
   50   3HG1  VAL  57          1HG1      VAL  57  -3.198  -7.677  -0.038
   51   1HG2  VAL  57          3HG2      VAL  57  -4.578  -5.667   2.817
   52   2HG2  VAL  57          2HG2      VAL  57  -3.037  -5.394   3.605
   53   3HG2  VAL  57          1HG2      VAL  57  -3.389  -4.605   2.080
   54    H    GLU  58           H        GLU  58  -0.714  -8.579   2.041
   55    HA   GLU  58           HA       GLU  58  -1.204 -10.684   0.138
   56   1HB   GLU  58          2HB       GLU  58   1.175  -9.766   1.717
   57   2HB   GLU  58          1HB       GLU  58   1.241 -11.449   1.238
   58   1HG   GLU  58          2HG       GLU  58   0.588 -10.554  -1.154
   59   2HG   GLU  58          1HG       GLU  58   1.102  -8.995  -0.524
   60    H    ALA  59           H        ALA  59  -1.361 -10.815   3.557
   61    HA   ALA  59           HA       ALA  59  -0.914 -13.649   3.858
   62   1HB   ALA  59          3HB       ALA  59  -2.768 -11.812   5.473
   63   2HB   ALA  59          2HB       ALA  59  -2.212 -13.400   5.981
   64   3HB   ALA  59          1HB       ALA  59  -1.066 -12.076   5.815
   65    H    ILE  60           H        ILE  60  -3.506 -11.742   2.759
   66    HA   ILE  60           HA       ILE  60  -5.564 -13.797   2.809
   67    HB   ILE  60           HB       ILE  60  -5.454 -11.295   1.032
   68   1HG1  ILE  60          2HG1      ILE  60  -6.505 -11.316   3.905
   69   2HG1  ILE  60          1HG1      ILE  60  -4.884 -10.799   3.548
   70   1HG2  ILE  60          1HG2      ILE  60  -7.362 -12.876   0.677
   71   2HG2  ILE  60          3HG2      ILE  60  -7.781 -12.753   2.376
   72   3HG2  ILE  60          2HG2      ILE  60  -7.926 -11.352   1.330
   73   1HD1  ILE  60          2HD1      ILE  60  -5.736  -9.109   1.973
   74   2HD1  ILE  60          1HD1      ILE  60  -7.384  -9.540   2.403
   75   3HD1  ILE  60          3HD1      ILE  60  -6.304  -8.881   3.621
   76    H    ILE  61           H        ILE  61  -3.628 -12.244   0.270
   77    HA   ILE  61           HA       ILE  61  -4.298 -13.793  -1.911
   78    HB   ILE  61           HB       ILE  61  -1.801 -12.327  -0.951
   79   1HG1  ILE  61          2HG1      ILE  61  -2.321 -10.687  -2.775
   80   2HG1  ILE  61          1HG1      ILE  61  -3.737 -11.616  -3.163
   81   1HG2  ILE  61          3HG2      ILE  61  -2.047 -13.543  -3.647
   82   2HG2  ILE  61          2HG2      ILE  61  -0.808 -12.399  -3.114
   83   3HG2  ILE  61          1HG2      ILE  61  -0.912 -13.982  -2.363
   84   1HD1  ILE  61          3HD1      ILE  61  -3.243 -10.263  -0.516
   85   2HD1  ILE  61          2HD1      ILE  61  -4.284  -9.661  -1.785
   86   3HD1  ILE  61          1HD1      ILE  61  -4.708 -11.135  -0.951
   87    H    ARG  62           H        ARG  62  -1.887 -14.145   0.426
   88    HA   ARG  62           HA       ARG  62  -0.412 -16.403  -0.235
   89   1HB   ARG  62          2HB       ARG  62  -0.029 -14.790   1.596
   90   2HB   ARG  62          1HB       ARG  62  -1.223 -15.652   2.555
   91   1HG   ARG  62          2HG       ARG  62   0.113 -17.650   2.503
   92   2HG   ARG  62          1HG       ARG  62   1.177 -16.977   1.268
   93   1HD   ARG  62          2HD       ARG  62   1.806 -15.155   2.825
   94   2HD   ARG  62          1HD       ARG  62   0.784 -15.886   4.070
   95    HE   ARG  62           HE       ARG  62   2.703 -17.782   3.030
   96   1HH1  ARG  62          1HH2      ARG  62   2.317 -18.070   5.740
   97   2HH1  ARG  62          2HH2      ARG  62   3.570 -17.186   6.538
   98   1HH2  ARG  62          2HH1      ARG  62   4.274 -15.297   3.658
   99   2HH2  ARG  62          1HH1      ARG  62   4.733 -15.553   5.308
  100    H    ILE  63           H        ILE  63  -3.685 -16.293   1.002
  101    HA   ILE  63           HA       ILE  63  -3.696 -19.279   1.276
  102    HB   ILE  63           HB       ILE  63  -5.083 -17.073   2.700
  103   1HG1  ILE  63          2HG1      ILE  63  -4.684 -18.805   4.565
  104   2HG1  ILE  63          1HG1      ILE  63  -3.773 -19.731   3.420
  105   1HG2  ILE  63          2HG2      ILE  63  -6.289 -19.856   2.402
  106   2HG2  ILE  63          1HG2      ILE  63  -6.794 -18.641   3.570
  107   3HG2  ILE  63          3HG2      ILE  63  -7.001 -18.335   1.868
  108   1HD1  ILE  63          2HD1      ILE  63  -3.131 -16.879   4.268
  109   2HD1  ILE  63          1HD1      ILE  63  -2.283 -18.318   4.798
  110   3HD1  ILE  63          3HD1      ILE  63  -2.193 -17.828   3.126
  111    H    LEU  64           H        LEU  64  -5.064 -16.536  -0.182
  112    HA   LEU  64           HA       LEU  64  -7.454 -17.242  -1.351
  113   1HB   LEU  64          2HB       LEU  64  -6.504 -14.962  -1.223
  114   2HB   LEU  64          1HB       LEU  64  -5.198 -15.455  -2.272
  115    HG   LEU  64           HG       LEU  64  -8.004 -15.383  -3.294
  116   1HD1  LEU  64          1HD1      LEU  64  -7.411 -13.121  -2.388
  117   2HD1  LEU  64          3HD1      LEU  64  -5.919 -13.142  -3.306
  118   3HD1  LEU  64          2HD1      LEU  64  -7.459 -13.081  -4.135
  119   1HD2  LEU  64          3HD2      LEU  64  -5.305 -15.164  -4.702
  120   2HD2  LEU  64          2HD2      LEU  64  -6.385 -16.548  -4.799
  121   3HD2  LEU  64          1HD2      LEU  64  -6.866 -15.030  -5.482
  122    H    GLN  65           H        GLN  65  -4.405 -17.116  -3.048
  123    HA   GLN  65           HA       GLN  65  -5.568 -18.943  -5.021
  124   1HB   GLN  65          2HB       GLN  65  -3.312 -18.597  -6.149
  125   2HB   GLN  65          1HB       GLN  65  -4.172 -17.102  -5.846
  126   1HG   GLN  65          2HG       GLN  65  -2.709 -16.393  -4.180
  127   2HG   GLN  65          1HG       GLN  65  -2.285 -18.011  -3.659
  128   1HE2  GLN  65          2HE2      GLN  65   0.350 -18.283  -6.003
  129   2HE2  GLN  65          1HE2      GLN  65  -0.572 -19.076  -4.809
  130    H    GLN  66           H        GLN  66  -4.168 -19.280  -2.115
  131    HA   GLN  66           HA       GLN  66  -2.669 -21.726  -2.891
  132   1HB   GLN  66          2HB       GLN  66  -3.043 -20.124  -0.404
  133   2HB   GLN  66          1HB       GLN  66  -2.853 -21.841  -0.124
  134   1HG   GLN  66          2HG       GLN  66  -0.653 -20.653  -0.097
  135   2HG   GLN  66          1HG       GLN  66  -0.707 -21.787  -1.429
  136   1HE2  GLN  66          2HE2      GLN  66  -0.108 -17.912  -2.260
  137   2HE2  GLN  66          1HE2      GLN  66  -0.124 -18.508  -0.660
  138    H    LEU  67           H        LEU  67  -5.810 -20.807  -1.725
  139    HA   LEU  67           HA       LEU  67  -6.513 -23.649  -1.283
  140   1HB   LEU  67          2HB       LEU  67  -8.579 -22.756  -0.351
  141   2HB   LEU  67          1HB       LEU  67  -7.291 -21.790   0.300
  142    HG   LEU  67           HG       LEU  67  -7.858 -20.206  -1.765
  143   1HD1  LEU  67          2HD1      LEU  67  -9.651 -21.729  -2.752
  144   2HD1  LEU  67          1HD1      LEU  67 -10.526 -21.606  -1.245
  145   3HD1  LEU  67          3HD1      LEU  67 -10.315 -20.190  -2.251
  146   1HD2  LEU  67          1HD2      LEU  67  -9.556 -20.314   0.748
  147   2HD2  LEU  67          3HD2      LEU  67  -8.006 -19.523   0.563
  148   3HD2  LEU  67          2HD2      LEU  67  -9.401 -18.923  -0.308
  149    H    LEU  68           H        LEU  68  -6.942 -21.024  -3.455
  150    HA   LEU  68           HA       LEU  68  -8.817 -22.509  -5.086
  151   1HB   LEU  68          2HB       LEU  68  -7.162 -19.980  -5.590
  152   2HB   LEU  68          1HB       LEU  68  -8.175 -20.643  -6.835
  153    HG   LEU  68           HG       LEU  68  -9.158 -19.734  -4.098
  154   1HD1  LEU  68          3HD1      LEU  68  -8.326 -17.861  -5.494
  155   2HD1  LEU  68          2HD1      LEU  68  -9.337 -18.381  -6.830
  156   3HD1  LEU  68          1HD1      LEU  68 -10.066 -17.787  -5.348
  157   1HD2  LEU  68          1HD2      LEU  68 -10.699 -20.485  -6.663
  158   2HD2  LEU  68          3HD2      LEU  68 -10.637 -21.489  -5.227
  159   3HD2  LEU  68          2HD2      LEU  68 -11.428 -19.933  -5.169
  160    H    PHE  69           H        PHE  69  -5.313 -22.034  -5.176
  161    HA   PHE  69           HA       PHE  69  -5.125 -23.283  -7.727
  162   1HB   PHE  69          2HB       PHE  69  -3.007 -22.282  -6.931
  163   2HB   PHE  69          1HB       PHE  69  -3.221 -22.952  -5.327
  164    HD1  PHE  69           HD2      PHE  69  -2.903 -24.323  -8.824
  165    HD2  PHE  69           HD1      PHE  69  -1.781 -24.630  -4.725
  166    HE1  PHE  69           HE2      PHE  69  -1.457 -26.231  -9.359
  167    HE2  PHE  69           HE1      PHE  69  -0.331 -26.542  -5.268
  168    HZ   PHE  69           HZ       PHE  69  -0.169 -27.343  -7.584
  169    H    ILE  70           H        ILE  70  -5.403 -24.479  -4.439
  170    HA   ILE  70           HA       ILE  70  -5.045 -27.137  -5.535
  171    HB   ILE  70           HB       ILE  70  -5.421 -27.924  -3.264
  172   1HG1  ILE  70          2HG1      ILE  70  -5.313 -25.943  -1.521
  173   2HG1  ILE  70          1HG1      ILE  70  -6.110 -25.080  -2.811
  174   1HG2  ILE  70          1HG2      ILE  70  -3.152 -27.225  -4.033
  175   2HG2  ILE  70          3HG2      ILE  70  -3.484 -25.576  -3.529
  176   3HG2  ILE  70          2HG2      ILE  70  -3.344 -26.845  -2.331
  177   1HD1  ILE  70          1HD1      ILE  70  -7.092 -27.690  -1.623
  178   2HD1  ILE  70          3HD1      ILE  70  -7.740 -26.091  -1.250
  179   3HD1  ILE  70          2HD1      ILE  70  -7.931 -26.764  -2.850
  180    H    HIS  71           H        HIS  71  -7.633 -25.089  -4.841
  181    HA   HIS  71           HA       HIS  71  -9.617 -27.256  -4.857
  182   1HB   HIS  71          2HB       HIS  71  -9.962 -25.062  -3.622
  183   2HB   HIS  71          1HB       HIS  71 -10.034 -24.254  -5.185
  184    HD1  HIS  71           HD1      HIS  71 -12.469 -23.562  -4.300
  185    HD2  HIS  71           HD2      HIS  71 -11.940 -27.577  -5.232
  186    HE1  HIS  71           HE1      HIS  71 -14.707 -24.642  -4.559
  187    H    PHE  72           H        PHE  72  -8.075 -25.230  -7.017
  188    HA   PHE  72           HA       PHE  72  -9.914 -25.876  -9.252
  189   1HB   PHE  72          2HB       PHE  72  -8.031 -23.689  -8.773
  190   2HB   PHE  72          1HB       PHE  72  -7.645 -24.403 -10.286
  191    HD1  PHE  72           HD2      PHE  72  -9.673 -24.710 -11.960
  192    HD2  PHE  72           HD1      PHE  72  -9.900 -22.335  -8.421
  193    HE1  PHE  72           HE2      PHE  72 -11.637 -23.549 -12.855
  194    HE2  PHE  72           HE1      PHE  72 -11.865 -21.176  -9.324
  195    HZ   PHE  72           HZ       PHE  72 -12.737 -21.783 -11.544
  196    H    ARG  73           H        ARG  73  -6.476 -26.178  -8.557
  197    HA   ARG  73           HA       ARG  73  -5.669 -27.605 -10.807
  198   1HB   ARG  73          2HB       ARG  73  -4.125 -26.792  -9.093
  199   2HB   ARG  73          1HB       ARG  73  -4.730 -27.966  -7.936
  200   1HG   ARG  73          2HG       ARG  73  -2.642 -28.739  -8.816
  201   2HG   ARG  73          1HG       ARG  73  -3.893 -29.798  -9.428
  202   1HD   ARG  73          2HD       ARG  73  -3.902 -28.467 -11.599
  203   2HD   ARG  73          1HD       ARG  73  -2.593 -27.481 -10.967
  204    HE   ARG  73           HE       ARG  73  -2.212 -29.914 -12.276
  205   1HH1  ARG  73          2HH1      ARG  73  -1.819 -31.513 -10.124
  206   2HH1  ARG  73          1HH1      ARG  73  -0.246 -31.182  -9.492
  207   1HH2  ARG  73          1HH2      ARG  73  -0.099 -28.069 -11.141
  208   2HH2  ARG  73          2HH2      ARG  73   0.782 -29.133 -10.101
  209    H    ILE  74           H        ILE  74  -7.146 -29.057  -7.934
  210    HA   ILE  74           HA       ILE  74  -6.852 -31.749  -9.037
  211    HB   ILE  74           HB       ILE  74  -8.354 -30.679  -6.587
  212   1HG1  ILE  74          2HG1      ILE  74  -5.533 -31.759  -7.050
  213   2HG1  ILE  74          1HG1      ILE  74  -5.948 -30.134  -6.574
  214   1HG2  ILE  74          2HG2      ILE  74  -7.445 -33.528  -7.259
  215   2HG2  ILE  74          1HG2      ILE  74  -8.231 -33.019  -5.763
  216   3HG2  ILE  74          3HG2      ILE  74  -9.112 -32.973  -7.270
  217   1HD1  ILE  74          2HD1      ILE  74  -6.817 -30.918  -4.403
  218   2HD1  ILE  74          1HD1      ILE  74  -6.388 -32.573  -4.814
  219   3HD1  ILE  74          3HD1      ILE  74  -5.135 -31.368  -4.620
  220    H    GLY  75           H        GLY  75  -9.027 -29.283  -9.476
  221   1HA   GLY  75          2HA       GLY  75 -10.617 -29.941 -11.460
  222   2HA   GLY  75          1HA       GLY  75 -11.255 -31.117 -10.307
  223   1HN   NH2  76          1HT       GLY  75 -10.371 -27.652 -10.087
  224   2HN   NH2  76          2HT       GLY  75 -11.843 -27.183  -9.360
   
  No H/Q in entry =         224
  Start of MODEL   16
    1   1H    ACE  50A         1HA       ACE  50A  8.201   2.863   7.287
    2   2H    ACE  50A         2HA       ACE  50A  8.161   2.517   5.555
    3   3H    ACE  50A         3HA       ACE  50A  7.597   1.310   6.713
    4    H    TYR  50           H        TYR  50   6.886   4.485   5.362
    5    HA   TYR  50           HA       TYR  50   4.272   4.664   6.617
    6   1HB   TYR  50          2HB       TYR  50   5.446   6.243   4.269
    7   2HB   TYR  50          1HB       TYR  50   4.012   6.685   5.168
    8    HD1  TYR  50           HD1      TYR  50   4.318   6.874   7.797
    9    HD2  TYR  50           HD2      TYR  50   7.537   7.097   5.009
   10    HE1  TYR  50           HE1      TYR  50   5.699   8.015   9.468
   11    HE2  TYR  50           HE2      TYR  50   8.904   8.234   6.690
   12    HH   TYR  50           HH       TYR  50   8.370   9.712   8.794
   13    H    GLY  51           H        GLY  51   4.053   2.272   5.617
   14   1HA   GLY  51          2HA       GLY  51   1.726   2.115   4.139
   15   2HA   GLY  51          1HA       GLY  51   2.931   2.319   2.888
   16    H    ASP  52           H        ASP  52   3.477   0.343   5.750
   17    HA   ASP  52           HA       ASP  52   3.995  -1.954   3.962
   18   1HB   ASP  52          2HB       ASP  52   5.501  -1.525   5.917
   19   2HB   ASP  52          1HB       ASP  52   4.141  -1.745   7.008
   20    H    THR  53           H        THR  53   1.263  -0.842   4.290
   21    HA   THR  53           HA       THR  53  -0.314  -2.495   5.852
   22    HB   THR  53           HB       THR  53  -1.299  -1.208   3.234
   23    HG1  THR  53           HG1      THR  53  -1.066   0.685   5.078
   24   1HG2  THR  53          3HG2      THR  53  -2.233  -0.888   6.156
   25   2HG2  THR  53          2HG2      THR  53  -3.092  -0.327   4.724
   26   3HG2  THR  53          1HG2      THR  53  -2.931  -2.042   5.036
   27    H    TRP  54           H        TRP  54   1.155  -2.815   3.037
   28    HA   TRP  54           HA       TRP  54  -0.416  -4.771   1.885
   29   1HB   TRP  54          2HB       TRP  54   2.598  -4.279   1.598
   30   2HB   TRP  54          1HB       TRP  54   1.736  -5.422   0.572
   31    HD1  TRP  54           HD1      TRP  54   2.145  -1.637   1.090
   32    HE1  TRP  54           HE1      TRP  54   0.918  -0.403  -0.700
   33    HE3  TRP  54           HE3      TRP  54  -0.352  -5.549  -0.925
   34    HZ2  TRP  54           HZ2      TRP  54  -0.869  -0.963  -2.702
   35    HZ3  TRP  54           HZ3      TRP  54  -1.859  -5.134  -2.838
   36    HH2  TRP  54           HH2      TRP  54  -2.123  -2.837  -3.733
   37    H    ALA  55           H        ALA  55   1.710  -5.030   4.529
   38    HA   ALA  55           HA       ALA  55   2.326  -7.844   4.357
   39   1HB   ALA  55          1HB       ALA  55   1.930  -6.097   6.856
   40   2HB   ALA  55          3HB       ALA  55   2.721  -7.665   6.838
   41   3HB   ALA  55          2HB       ALA  55   3.456  -6.303   6.008
   42    H    GLY  56           H        GLY  56  -0.450  -6.054   5.308
   43   1HA   GLY  56          2HA       GLY  56  -1.861  -8.252   6.611
   44   2HA   GLY  56          1HA       GLY  56  -2.603  -6.734   6.051
   45    H    VAL  57           H        VAL  57  -1.985  -6.593   3.515
   46    HA   VAL  57           HA       VAL  57  -3.831  -8.150   2.159
   47    HB   VAL  57           HB       VAL  57  -1.257  -6.827   1.206
   48   1HG1  VAL  57          2HG1      VAL  57  -3.743  -7.630  -0.380
   49   2HG1  VAL  57          1HG1      VAL  57  -2.381  -6.735  -1.037
   50   3HG1  VAL  57          3HG1      VAL  57  -2.166  -8.398  -0.521
   51   1HG2  VAL  57          2HG2      VAL  57  -4.127  -5.774   1.289
   52   2HG2  VAL  57          1HG2      VAL  57  -2.827  -5.246   2.338
   53   3HG2  VAL  57          3HG2      VAL  57  -2.761  -4.902   0.623
   54    H    GLU  58           H        GLU  58  -0.311  -8.743   2.379
   55    HA   GLU  58           HA       GLU  58  -0.463 -11.134   0.833
   56   1HB   GLU  58          2HB       GLU  58   1.572  -9.889   2.617
   57   2HB   GLU  58          1HB       GLU  58   1.661 -11.637   2.635
   58   1HG   GLU  58          2HG       GLU  58   1.511 -11.421   0.000
   59   2HG   GLU  58          1HG       GLU  58   2.004  -9.760   0.288
   60    H    ALA  59           H        ALA  59  -1.435 -10.629   4.081
   61    HA   ALA  59           HA       ALA  59  -1.168 -13.470   4.784
   62   1HB   ALA  59          1HB       ALA  59  -1.250 -11.644   6.557
   63   2HB   ALA  59          3HB       ALA  59  -2.886 -11.251   6.059
   64   3HB   ALA  59          2HB       ALA  59  -2.550 -12.801   6.806
   65    H    ILE  60           H        ILE  60  -3.323 -11.484   3.145
   66    HA   ILE  60           HA       ILE  60  -5.585 -13.357   3.285
   67    HB   ILE  60           HB       ILE  60  -5.293 -11.031   1.288
   68   1HG1  ILE  60          2HG1      ILE  60  -6.135 -10.742   4.219
   69   2HG1  ILE  60          1HG1      ILE  60  -4.617 -10.210   3.572
   70   1HG2  ILE  60          1HG2      ILE  60  -7.273 -12.543   1.128
   71   2HG2  ILE  60          3HG2      ILE  60  -7.686 -12.196   2.798
   72   3HG2  ILE  60          2HG2      ILE  60  -7.774 -10.930   1.585
   73   1HD1  ILE  60          2HD1      ILE  60  -5.780  -8.685   2.015
   74   2HD1  ILE  60          1HD1      ILE  60  -7.311  -9.163   2.720
   75   3HD1  ILE  60          3HD1      ILE  60  -6.111  -8.346   3.705
   76    H    ILE  61           H        ILE  61  -3.468 -12.100   0.722
   77    HA   ILE  61           HA       ILE  61  -4.251 -13.931  -1.301
   78    HB   ILE  61           HB       ILE  61  -2.328 -13.201  -2.450
   79   1HG1  ILE  61          2HG1      ILE  61  -0.642 -11.759  -1.104
   80   2HG1  ILE  61          1HG1      ILE  61  -1.180 -12.817   0.210
   81   1HG2  ILE  61          2HG2      ILE  61  -4.039 -11.506  -2.208
   82   2HG2  ILE  61          1HG2      ILE  61  -3.308 -10.910  -0.732
   83   3HG2  ILE  61          3HG2      ILE  61  -2.448 -10.781  -2.251
   84   1HD1  ILE  61          2HD1      ILE  61  -0.689 -14.808  -1.223
   85   2HD1  ILE  61          1HD1      ILE  61  -0.184 -13.711  -2.484
   86   3HD1  ILE  61          3HD1      ILE  61   0.707 -13.790  -0.956
   87    H    ARG  62           H        ARG  62  -1.804 -14.341   1.309
   88    HA   ARG  62           HA       ARG  62  -0.718 -16.740   0.304
   89   1HB   ARG  62          2HB       ARG  62   0.068 -15.295   2.280
   90   2HB   ARG  62          1HB       ARG  62  -1.150 -16.089   3.260
   91   1HG   ARG  62          2HG       ARG  62   0.810 -17.746   1.668
   92   2HG   ARG  62          1HG       ARG  62   1.378 -16.947   3.113
   93   1HD   ARG  62          2HD       ARG  62  -0.089 -18.198   4.541
   94   2HD   ARG  62          1HD       ARG  62  -1.072 -18.768   3.208
   95    HE   ARG  62           HE       ARG  62   0.627 -20.345   2.647
   96   1HH1  ARG  62          1HH2      ARG  62   2.997 -18.629   3.200
   97   2HH1  ARG  62          2HH2      ARG  62   3.710 -19.402   4.571
   98   1HH2  ARG  62          2HH1      ARG  62   0.796 -21.216   5.280
   99   2HH2  ARG  62          1HH1      ARG  62   2.428 -20.928   5.785
  100    H    ILE  63           H        ILE  63  -3.837 -16.216   1.888
  101    HA   ILE  63           HA       ILE  63  -4.254 -19.212   1.749
  102    HB   ILE  63           HB       ILE  63  -4.203 -18.167   4.037
  103   1HG1  ILE  63          2HG1      ILE  63  -7.083 -18.874   3.510
  104   2HG1  ILE  63          1HG1      ILE  63  -5.841 -20.030   3.127
  105   1HG2  ILE  63          2HG2      ILE  63  -6.629 -16.631   3.055
  106   2HG2  ILE  63          1HG2      ILE  63  -6.056 -16.676   4.720
  107   3HG2  ILE  63          3HG2      ILE  63  -5.068 -15.931   3.472
  108   1HD1  ILE  63          1HD1      ILE  63  -6.138 -18.684   5.825
  109   2HD1  ILE  63          3HD1      ILE  63  -6.660 -20.324   5.437
  110   3HD1  ILE  63          2HD1      ILE  63  -4.949 -19.915   5.402
  111    H    LEU  64           H        LEU  64  -4.504 -17.010  -0.200
  112    HA   LEU  64           HA       LEU  64  -7.385 -17.180  -0.828
  113   1HB   LEU  64          2HB       LEU  64  -6.129 -14.978  -0.912
  114   2HB   LEU  64          1HB       LEU  64  -5.075 -15.637  -2.143
  115    HG   LEU  64           HG       LEU  64  -7.182 -15.964  -3.580
  116   1HD1  LEU  64          1HD1      LEU  64  -8.361 -14.135  -1.432
  117   2HD1  LEU  64          3HD1      LEU  64  -9.157 -14.570  -2.933
  118   3HD1  LEU  64          2HD1      LEU  64  -8.850 -15.797  -1.719
  119   1HD2  LEU  64          3HD2      LEU  64  -6.434 -13.134  -2.771
  120   2HD2  LEU  64          2HD2      LEU  64  -5.600 -14.103  -3.974
  121   3HD2  LEU  64          1HD2      LEU  64  -7.251 -13.590  -4.254
  122    H    GLN  65           H        GLN  65  -5.064 -17.022  -3.443
  123    HA   GLN  65           HA       GLN  65  -6.280 -19.331  -4.535
  124   1HB   GLN  65          2HB       GLN  65  -4.516 -19.175  -6.310
  125   2HB   GLN  65          1HB       GLN  65  -5.170 -17.588  -5.992
  126   1HG   GLN  65          2HG       GLN  65  -3.210 -17.019  -4.595
  127   2HG   GLN  65          1HG       GLN  65  -2.611 -18.668  -4.692
  128   1HE2  GLN  65          2HE2      GLN  65  -0.701 -16.779  -7.160
  129   2HE2  GLN  65          1HE2      GLN  65  -0.842 -16.811  -5.468
  130    H    GLN  66           H        GLN  66  -4.285 -19.369  -1.998
  131    HA   GLN  66           HA       GLN  66  -2.548 -21.552  -2.865
  132   1HB   GLN  66          2HB       GLN  66  -3.229 -20.236  -0.233
  133   2HB   GLN  66          1HB       GLN  66  -2.657 -21.871  -0.113
  134   1HG   GLN  66          2HG       GLN  66  -0.719 -20.334   0.041
  135   2HG   GLN  66          1HG       GLN  66  -0.583 -21.241  -1.448
  136   1HE2  GLN  66          2HE2      GLN  66  -1.958 -17.413  -1.963
  137   2HE2  GLN  66          1HE2      GLN  66  -2.649 -18.441  -0.806
  138    H    LEU  67           H        LEU  67  -5.731 -21.317  -1.387
  139    HA   LEU  67           HA       LEU  67  -5.874 -24.276  -1.241
  140   1HB   LEU  67          2HB       LEU  67  -8.096 -23.864  -0.285
  141   2HB   LEU  67          1HB       LEU  67  -6.869 -22.981   0.570
  142    HG   LEU  67           HG       LEU  67  -7.615 -20.940  -0.957
  143   1HD1  LEU  67          2HD1      LEU  67  -9.174 -22.288  -2.483
  144   2HD1  LEU  67          1HD1      LEU  67 -10.124 -22.694  -1.079
  145   3HD1  LEU  67          3HD1      LEU  67 -10.021 -21.036  -1.614
  146   1HD2  LEU  67          3HD2      LEU  67  -7.976 -21.076   1.489
  147   2HD2  LEU  67          2HD2      LEU  67  -9.349 -20.349   0.698
  148   3HD2  LEU  67          1HD2      LEU  67  -9.438 -22.019   1.238
  149    H    LEU  68           H        LEU  68  -6.697 -21.784  -3.310
  150    HA   LEU  68           HA       LEU  68  -8.637 -23.275  -4.888
  151   1HB   LEU  68          2HB       LEU  68  -7.128 -20.708  -5.412
  152   2HB   LEU  68          1HB       LEU  68  -8.191 -21.388  -6.577
  153    HG   LEU  68           HG       LEU  68  -9.109 -20.560  -3.778
  154   1HD1  LEU  68          1HD1      LEU  68  -9.464 -19.060  -6.415
  155   2HD1  LEU  68          3HD1      LEU  68 -10.175 -18.594  -4.880
  156   3HD1  LEU  68          2HD1      LEU  68  -8.437 -18.540  -5.088
  157   1HD2  LEU  68          3HD2      LEU  68 -10.704 -21.289  -6.282
  158   2HD2  LEU  68          2HD2      LEU  68 -10.547 -22.307  -4.864
  159   3HD2  LEU  68          1HD2      LEU  68 -11.389 -20.783  -4.752
  160    H    PHE  69           H        PHE  69  -5.242 -22.782  -4.757
  161    HA   PHE  69           HA       PHE  69  -4.780 -23.571  -7.403
  162   1HB   PHE  69          2HB       PHE  69  -2.905 -22.703  -6.022
  163   2HB   PHE  69          1HB       PHE  69  -3.196 -23.929  -4.786
  164    HD1  PHE  69           HD1      PHE  69  -2.214 -23.536  -8.340
  165    HD2  PHE  69           HD2      PHE  69  -1.978 -25.971  -4.861
  166    HE1  PHE  69           HE1      PHE  69  -0.610 -25.012  -9.488
  167    HE2  PHE  69           HE2      PHE  69  -0.382 -27.455  -6.011
  168    HZ   PHE  69           HZ       PHE  69   0.298 -26.975  -8.322
  169    H    ILE  70           H        ILE  70  -5.329 -25.386  -4.442
  170    HA   ILE  70           HA       ILE  70  -5.094 -27.716  -6.218
  171    HB   ILE  70           HB       ILE  70  -5.815 -28.956  -4.026
  172   1HG1  ILE  70          2HG1      ILE  70  -6.382 -26.641  -3.026
  173   2HG1  ILE  70          1HG1      ILE  70  -5.631 -27.880  -2.065
  174   1HG2  ILE  70          3HG2      ILE  70  -3.091 -27.644  -4.372
  175   2HG2  ILE  70          2HG2      ILE  70  -3.416 -29.016  -3.327
  176   3HG2  ILE  70          1HG2      ILE  70  -3.603 -29.169  -5.064
  177   1HD1  ILE  70          1HD1      ILE  70  -4.058 -25.616  -3.299
  178   2HD1  ILE  70          3HD1      ILE  70  -4.578 -25.724  -1.625
  179   3HD1  ILE  70          2HD1      ILE  70  -3.450 -26.882  -2.265
  180    H    HIS  71           H        HIS  71  -7.486 -25.709  -4.939
  181    HA   HIS  71           HA       HIS  71  -9.616 -27.701  -5.368
  182   1HB   HIS  71          2HB       HIS  71  -9.528 -25.926  -3.516
  183   2HB   HIS  71          1HB       HIS  71  -9.855 -24.728  -4.746
  184    HD1  HIS  71           HD1      HIS  71 -11.583 -26.906  -2.490
  185    HD2  HIS  71           HD2      HIS  71 -12.313 -25.264  -6.232
  186    HE1  HIS  71           HE1      HIS  71 -14.031 -27.034  -2.969
  187    H    PHE  72           H        PHE  72  -7.822 -25.608  -7.242
  188    HA   PHE  72           HA       PHE  72  -9.941 -25.499  -9.360
  189   1HB   PHE  72          2HB       PHE  72  -8.286 -23.370  -8.439
  190   2HB   PHE  72          1HB       PHE  72  -7.503 -23.872  -9.910
  191    HD1  PHE  72           HD1      PHE  72 -10.571 -22.695  -8.310
  192    HD2  PHE  72           HD2      PHE  72  -8.668 -23.379 -12.058
  193    HE1  PHE  72           HE1      PHE  72 -12.313 -21.387  -9.408
  194    HE2  PHE  72           HE2      PHE  72 -10.423 -22.068 -13.172
  195    HZ   PHE  72           HZ       PHE  72 -12.251 -21.067 -11.859
  196    H    ARG  73           H        ARG  73  -6.479 -26.068  -8.819
  197    HA   ARG  73           HA       ARG  73  -5.730 -26.989 -11.340
  198   1HB   ARG  73          2HB       ARG  73  -4.930 -27.886  -8.572
  199   2HB   ARG  73          1HB       ARG  73  -4.245 -28.683  -9.933
  200   1HG   ARG  73          2HG       ARG  73  -4.195 -25.645  -9.851
  201   2HG   ARG  73          1HG       ARG  73  -3.012 -26.578  -8.957
  202   1HD   ARG  73          2HD       ARG  73  -3.522 -26.946 -11.947
  203   2HD   ARG  73          1HD       ARG  73  -2.229 -25.949 -11.280
  204    HE   ARG  73           HE       ARG  73  -1.975 -28.404  -9.994
  205   1HH1  ARG  73          1HH2      ARG  73  -2.731 -29.997 -12.145
  206   2HH1  ARG  73          2HH2      ARG  73  -1.380 -30.044 -13.221
  207   1HH2  ARG  73          2HH1      ARG  73   0.064 -27.173 -11.803
  208   2HH2  ARG  73          1HH1      ARG  73   0.259 -28.376 -13.029
  209    H    ILE  74           H        ILE  74  -7.585 -28.831  -9.018
  210    HA   ILE  74           HA       ILE  74  -7.448 -31.267 -10.641
  211    HB   ILE  74           HB       ILE  74  -9.141 -30.604  -8.176
  212   1HG1  ILE  74          2HG1      ILE  74  -6.346 -31.805  -8.479
  213   2HG1  ILE  74          1HG1      ILE  74  -6.686 -30.248  -7.777
  214   1HG2  ILE  74          1HG2      ILE  74  -9.854 -32.651  -9.444
  215   2HG2  ILE  74          3HG2      ILE  74  -8.215 -33.272  -9.342
  216   3HG2  ILE  74          2HG2      ILE  74  -9.181 -33.071  -7.884
  217   1HD1  ILE  74          1HD1      ILE  74  -7.953 -31.276  -5.926
  218   2HD1  ILE  74          3HD1      ILE  74  -7.585 -32.883  -6.545
  219   3HD1  ILE  74          2HD1      ILE  74  -6.297 -31.844  -5.973
  220    H    GLY  75           H        GLY  75  -9.474 -28.567 -10.506
  221   1HA   GLY  75          2HA       GLY  75 -11.738 -29.948 -11.885
  222   2HA   GLY  75          1HA       GLY  75 -11.795 -28.316 -11.233
  223   1HN   NH2  76          1HT       GLY  75  -9.378 -27.369 -12.532
  224   2HN   NH2  76          2HT       GLY  75  -9.727 -27.272 -14.198
   
  No H/Q in entry =         224
  Start of MODEL   17
    1   1H    ACE  50A         1HA       ACE  50A  6.763   5.409   4.774
    2   2H    ACE  50A         2HA       ACE  50A  5.733   6.475   5.744
    3   3H    ACE  50A         3HA       ACE  50A  5.900   6.742   4.009
    4    H    TYR  50           H        TYR  50   4.846   4.281   6.317
    5    HA   TYR  50           HA       TYR  50   3.236   2.608   6.200
    6   1HB   TYR  50          2HB       TYR  50   1.928   5.043   4.966
    7   2HB   TYR  50          1HB       TYR  50   1.024   3.549   5.042
    8    HD1  TYR  50           HD2      TYR  50   0.547   2.463   7.194
    9    HD2  TYR  50           HD1      TYR  50   2.448   6.266   7.050
   10    HE1  TYR  50           HE2      TYR  50   0.024   2.803   9.553
   11    HE2  TYR  50           HE1      TYR  50   1.921   6.606   9.429
   12    HH   TYR  50           HH       TYR  50   0.583   4.078  11.409
   13    H    GLY  51           H        GLY  51   5.080   2.610   3.782
   14   1HA   GLY  51          2HA       GLY  51   3.352   1.541   1.643
   15   2HA   GLY  51          1HA       GLY  51   5.107   1.642   1.589
   16    H    ASP  52           H        ASP  52   3.859   0.226   4.401
   17    HA   ASP  52           HA       ASP  52   4.611  -2.507   3.424
   18   1HB   ASP  52          2HB       ASP  52   5.256  -3.017   5.726
   19   2HB   ASP  52          1HB       ASP  52   6.018  -1.505   5.273
   20    H    THR  53           H        THR  53   1.957  -1.528   2.957
   21    HA   THR  53           HA       THR  53   0.253  -2.760   4.954
   22    HB   THR  53           HB       THR  53  -1.530  -1.937   3.159
   23    HG1  THR  53           HG1      THR  53  -0.514  -1.649   1.299
   24   1HG2  THR  53          2HG2      THR  53   0.653   0.140   3.850
   25   2HG2  THR  53          1HG2      THR  53  -1.013   0.503   3.453
   26   3HG2  THR  53          3HG2      THR  53  -0.623  -0.280   4.975
   27    H    TRP  54           H        TRP  54   1.310  -3.345   1.985
   28    HA   TRP  54           HA       TRP  54  -0.296  -5.430   1.238
   29   1HB   TRP  54          2HB       TRP  54   2.717  -5.125   0.681
   30   2HB   TRP  54          1HB       TRP  54   1.676  -6.229  -0.213
   31    HD1  TRP  54           HD1      TRP  54   2.519  -2.522   0.026
   32    HE1  TRP  54           HE1      TRP  54   1.168  -1.217  -1.635
   33    HE3  TRP  54           HE3      TRP  54  -0.671  -6.179  -1.361
   34    HZ2  TRP  54           HZ2      TRP  54  -0.963  -1.641  -3.302
   35    HZ3  TRP  54           HZ3      TRP  54  -2.411  -5.667  -3.041
   36    HH2  TRP  54           HH2      TRP  54  -2.555  -3.392  -4.014
   37    H    ALA  55           H        ALA  55   1.939  -5.612   3.779
   38    HA   ALA  55           HA       ALA  55   2.420  -8.461   3.719
   39   1HB   ALA  55          2HB       ALA  55   2.290  -6.570   6.145
   40   2HB   ALA  55          1HB       ALA  55   2.991  -8.177   6.149
   41   3HB   ALA  55          3HB       ALA  55   3.745  -6.900   5.211
   42    H    GLY  56           H        GLY  56  -0.160  -6.459   4.858
   43   1HA   GLY  56          2HA       GLY  56  -1.587  -8.508   6.352
   44   2HA   GLY  56          1HA       GLY  56  -2.296  -6.991   5.745
   45    H    VAL  57           H        VAL  57  -1.928  -7.035   3.177
   46    HA   VAL  57           HA       VAL  57  -3.920  -8.598   2.083
   47    HB   VAL  57           HB       VAL  57  -1.410  -7.360   0.902
   48   1HG1  VAL  57          1HG1      VAL  57  -3.859  -8.441  -0.582
   49   2HG1  VAL  57          3HG1      VAL  57  -2.554  -7.530  -1.330
   50   3HG1  VAL  57          2HG1      VAL  57  -2.239  -9.120  -0.667
   51   1HG2  VAL  57          1HG2      VAL  57  -3.034  -5.765   1.911
   52   2HG2  VAL  57          3HG2      VAL  57  -2.983  -5.560   0.172
   53   3HG2  VAL  57          2HG2      VAL  57  -4.320  -6.418   0.918
   54    H    GLU  58           H        GLU  58  -0.419  -9.306   2.014
   55    HA   GLU  58           HA       GLU  58  -0.818 -11.731   0.606
   56   1HB   GLU  58          2HB       GLU  58   1.416 -10.476   2.034
   57   2HB   GLU  58          1HB       GLU  58   1.399 -12.183   2.411
   58   1HG   GLU  58          2HG       GLU  58   0.966 -12.239  -0.334
   59   2HG   GLU  58          1HG       GLU  58   1.943 -10.800  -0.165
   60    H    ALA  59           H        ALA  59  -1.345 -11.055   3.942
   61    HA   ALA  59           HA       ALA  59  -1.236 -13.848   4.760
   62   1HB   ALA  59          1HB       ALA  59  -1.139 -11.939   6.410
   63   2HB   ALA  59          3HB       ALA  59  -2.784 -11.496   5.999
   64   3HB   ALA  59          2HB       ALA  59  -2.468 -13.019   6.808
   65    H    ILE  60           H        ILE  60  -3.391 -12.040   2.999
   66    HA   ILE  60           HA       ILE  60  -5.684 -13.856   3.451
   67    HB   ILE  60           HB       ILE  60  -5.533 -11.609   1.358
   68   1HG1  ILE  60          2HG1      ILE  60  -6.112 -11.141   4.329
   69   2HG1  ILE  60          1HG1      ILE  60  -4.613 -10.722   3.562
   70   1HG2  ILE  60          3HG2      ILE  60  -7.561 -13.073   1.474
   71   2HG2  ILE  60          2HG2      ILE  60  -7.789 -12.618   3.153
   72   3HG2  ILE  60          1HG2      ILE  60  -7.961 -11.419   1.885
   73   1HD1  ILE  60          1HD1      ILE  60  -5.812  -9.241   1.995
   74   2HD1  ILE  60          3HD1      ILE  60  -7.310  -9.587   2.842
   75   3HD1  ILE  60          2HD1      ILE  60  -5.987  -8.791   3.684
   76    H    ILE  61           H        ILE  61  -3.638 -12.753   0.786
   77    HA   ILE  61           HA       ILE  61  -4.629 -14.675  -1.103
   78    HB   ILE  61           HB       ILE  61  -2.788 -14.019  -2.444
   79   1HG1  ILE  61          2HG1      ILE  61  -0.965 -12.557  -1.313
   80   2HG1  ILE  61          1HG1      ILE  61  -1.434 -13.511   0.094
   81   1HG2  ILE  61          2HG2      ILE  61  -4.409 -12.210  -2.109
   82   2HG2  ILE  61          1HG2      ILE  61  -3.505 -11.617  -0.735
   83   3HG2  ILE  61          3HG2      ILE  61  -2.799 -11.575  -2.331
   84   1HD1  ILE  61          3HD1      ILE  61  -0.669 -14.657  -2.564
   85   2HD1  ILE  61          2HD1      ILE  61   0.364 -14.588  -1.127
   86   3HD1  ILE  61          1HD1      ILE  61  -1.060 -15.602  -1.147
   87    H    ARG  62           H        ARG  62  -2.186 -14.846   1.402
   88    HA   ARG  62           HA       ARG  62  -0.918 -17.244   0.764
   89   1HB   ARG  62          2HB       ARG  62  -1.662 -15.958   3.393
   90   2HB   ARG  62          1HB       ARG  62  -0.860 -17.508   3.387
   91   1HG   ARG  62          2HG       ARG  62   0.324 -15.207   1.818
   92   2HG   ARG  62          1HG       ARG  62   0.587 -15.337   3.547
   93   1HD   ARG  62          2HD       ARG  62   1.397 -17.775   2.937
   94   2HD   ARG  62          1HD       ARG  62   1.413 -17.173   1.275
   95    HE   ARG  62           HE       ARG  62   3.095 -15.549   1.901
   96   1HH1  ARG  62          2HH1      ARG  62   1.754 -16.145   4.792
   97   2HH1  ARG  62          1HH1      ARG  62   3.193 -16.510   5.679
   98   1HH2  ARG  62          1HH2      ARG  62   5.123 -16.718   2.744
   99   2HH2  ARG  62          2HH2      ARG  62   5.183 -16.846   4.468
  100    H    ILE  63           H        ILE  63  -4.180 -16.786   1.852
  101    HA   ILE  63           HA       ILE  63  -4.432 -19.785   2.049
  102    HB   ILE  63           HB       ILE  63  -4.637 -18.747   4.162
  103   1HG1  ILE  63          2HG1      ILE  63  -7.507 -19.272   3.413
  104   2HG1  ILE  63          1HG1      ILE  63  -6.317 -20.523   3.194
  105   1HG2  ILE  63          2HG2      ILE  63  -6.834 -17.037   2.968
  106   2HG2  ILE  63          1HG2      ILE  63  -6.419 -17.135   4.671
  107   3HG2  ILE  63          3HG2      ILE  63  -5.259 -16.472   3.535
  108   1HD1  ILE  63          2HD1      ILE  63  -6.798 -19.044   5.809
  109   2HD1  ILE  63          1HD1      ILE  63  -7.355 -20.673   5.437
  110   3HD1  ILE  63          3HD1      ILE  63  -5.634 -20.342   5.556
  111    H    LEU  64           H        LEU  64  -5.983 -16.857   1.006
  112    HA   LEU  64           HA       LEU  64  -8.385 -17.826  -0.090
  113   1HB   LEU  64          2HB       LEU  64  -7.967 -15.447   0.336
  114   2HB   LEU  64          1HB       LEU  64  -6.677 -15.410  -0.837
  115    HG   LEU  64           HG       LEU  64  -8.342 -15.984  -2.626
  116   1HD1  LEU  64          1HD1      LEU  64 -10.396 -15.606  -0.407
  117   2HD1  LEU  64          3HD1      LEU  64 -10.764 -15.762  -2.116
  118   3HD1  LEU  64          2HD1      LEU  64 -10.070 -17.111  -1.253
  119   1HD2  LEU  64          3HD2      LEU  64  -9.012 -13.481  -1.011
  120   2HD2  LEU  64          2HD2      LEU  64  -7.768 -13.601  -2.238
  121   3HD2  LEU  64          1HD2      LEU  64  -9.454 -13.743  -2.687
  122    H    GLN  65           H        GLN  65  -5.770 -16.663  -2.206
  123    HA   GLN  65           HA       GLN  65  -6.812 -18.524  -4.187
  124   1HB   GLN  65          2HB       GLN  65  -5.623 -16.249  -4.797
  125   2HB   GLN  65          1HB       GLN  65  -4.113 -17.003  -4.323
  126   1HG   GLN  65          2HG       GLN  65  -5.710 -18.597  -6.319
  127   2HG   GLN  65          1HG       GLN  65  -5.199 -17.040  -6.909
  128   1HE2  GLN  65          2HE2      GLN  65  -1.967 -19.300  -5.883
  129   2HE2  GLN  65          1HE2      GLN  65  -3.139 -19.040  -4.698
  130    H    GLN  66           H        GLN  66  -4.945 -18.985  -1.536
  131    HA   GLN  66           HA       GLN  66  -3.225 -20.981  -2.914
  132   1HB   GLN  66          2HB       GLN  66  -3.392 -19.766  -0.231
  133   2HB   GLN  66          1HB       GLN  66  -3.082 -21.486  -0.141
  134   1HG   GLN  66          2HG       GLN  66  -0.966 -20.019  -0.346
  135   2HG   GLN  66          1HG       GLN  66  -1.089 -21.310  -1.529
  136   1HE2  GLN  66          2HE2      GLN  66  -1.601 -17.467  -2.835
  137   2HE2  GLN  66          1HE2      GLN  66  -1.940 -17.811  -1.208
  138    H    LEU  67           H        LEU  67  -6.299 -20.911  -1.268
  139    HA   LEU  67           HA       LEU  67  -6.302 -23.884  -1.274
  140   1HB   LEU  67          2HB       LEU  67  -8.437 -23.641  -0.093
  141   2HB   LEU  67          1HB       LEU  67  -7.248 -22.644   0.680
  142    HG   LEU  67           HG       LEU  67  -8.281 -20.671  -0.664
  143   1HD1  LEU  67          3HD1      LEU  67  -9.750 -22.113  -2.217
  144   2HD1  LEU  67          2HD1      LEU  67 -10.591 -22.686  -0.802
  145   3HD1  LEU  67          1HD1      LEU  67 -10.692 -21.001  -1.264
  146   1HD2  LEU  67          2HD2      LEU  67  -9.908 -22.086   1.518
  147   2HD2  LEU  67          1HD2      LEU  67  -8.563 -20.984   1.777
  148   3HD2  LEU  67          3HD2      LEU  67 -10.053 -20.392   1.078
  149    H    LEU  68           H        LEU  68  -7.412 -21.160  -2.997
  150    HA   LEU  68           HA       LEU  68  -9.187 -22.699  -4.709
  151   1HB   LEU  68          2HB       LEU  68  -7.995 -19.887  -4.952
  152   2HB   LEU  68          1HB       LEU  68  -9.164 -20.487  -6.089
  153    HG   LEU  68           HG       LEU  68  -9.653 -20.005  -3.104
  154   1HD1  LEU  68          3HD1      LEU  68 -10.683 -18.542  -5.581
  155   2HD1  LEU  68          2HD1      LEU  68 -11.124 -18.177  -3.923
  156   3HD1  LEU  68          1HD1      LEU  68  -9.476 -17.933  -4.461
  157   1HD2  LEU  68          3HD2      LEU  68 -11.613 -20.870  -5.308
  158   2HD2  LEU  68          2HD2      LEU  68 -11.064 -21.919  -4.015
  159   3HD2  LEU  68          1HD2      LEU  68 -12.034 -20.514  -3.641
  160    H    PHE  69           H        PHE  69  -5.888 -21.511  -4.962
  161    HA   PHE  69           HA       PHE  69  -5.687 -22.363  -7.690
  162   1HB   PHE  69          2HB       PHE  69  -3.836 -20.924  -7.044
  163   2HB   PHE  69          1HB       PHE  69  -3.715 -21.642  -5.450
  164    HD1  PHE  69           HD2      PHE  69  -3.243 -22.718  -9.014
  165    HD2  PHE  69           HD1      PHE  69  -1.928 -22.949  -4.968
  166    HE1  PHE  69           HE2      PHE  69  -1.362 -24.117  -9.705
  167    HE2  PHE  69           HE1      PHE  69  -0.048 -24.345  -5.656
  168    HZ   PHE  69           HZ       PHE  69   0.252 -24.940  -8.027
  169    H    ILE  70           H        ILE  70  -5.415 -23.981  -4.593
  170    HA   ILE  70           HA       ILE  70  -4.387 -26.254  -6.086
  171    HB   ILE  70           HB       ILE  70  -4.433 -27.421  -3.926
  172   1HG1  ILE  70          2HG1      ILE  70  -4.802 -25.704  -1.944
  173   2HG1  ILE  70          1HG1      ILE  70  -5.879 -24.978  -3.105
  174   1HG2  ILE  70          2HG2      ILE  70  -2.457 -26.096  -4.563
  175   2HG2  ILE  70          1HG2      ILE  70  -3.173 -24.652  -3.872
  176   3HG2  ILE  70          3HG2      ILE  70  -2.701 -25.977  -2.831
  177   1HD1  ILE  70          1HD1      ILE  70  -5.984 -27.877  -2.239
  178   2HD1  ILE  70          3HD1      ILE  70  -7.064 -26.593  -1.690
  179   3HD1  ILE  70          2HD1      ILE  70  -7.107 -27.130  -3.356
  180    H    HIS  71           H        HIS  71  -7.413 -25.093  -4.926
  181    HA   HIS  71           HA       HIS  71  -8.715 -27.671  -5.280
  182   1HB   HIS  71          2HB       HIS  71  -9.624 -25.616  -3.983
  183   2HB   HIS  71          1HB       HIS  71 -10.063 -24.937  -5.544
  184    HD1  HIS  71           HD1      HIS  71 -12.350 -25.370  -3.793
  185    HD2  HIS  71           HD2      HIS  71 -10.855 -28.461  -6.131
  186    HE1  HIS  71           HE1      HIS  71 -14.133 -27.089  -4.113
  187    H    PHE  72           H        PHE  72  -8.153 -24.921  -7.114
  188    HA   PHE  72           HA       PHE  72  -9.495 -25.826  -9.554
  189   1HB   PHE  72          2HB       PHE  72  -7.984 -23.362  -8.748
  190   2HB   PHE  72          1HB       PHE  72  -7.888 -23.714 -10.423
  191    HD1  PHE  72           HD2      PHE  72 -10.367 -23.460  -7.602
  192    HD2  PHE  72           HD1      PHE  72  -9.758 -23.183 -11.814
  193    HE1  PHE  72           HE2      PHE  72 -12.669 -22.632  -7.889
  194    HE2  PHE  72           HE1      PHE  72 -12.044 -22.362 -12.089
  195    HZ   PHE  72           HZ       PHE  72 -13.509 -22.083 -10.135
  196    H    ARG  73           H        ARG  73  -6.094 -25.493  -8.702
  197    HA   ARG  73           HA       ARG  73  -5.055 -26.392 -11.199
  198   1HB   ARG  73          2HB       ARG  73  -3.631 -25.413  -9.421
  199   2HB   ARG  73          1HB       ARG  73  -3.902 -26.818  -8.409
  200   1HG   ARG  73          2HG       ARG  73  -1.711 -26.954  -9.462
  201   2HG   ARG  73          1HG       ARG  73  -2.721 -28.230 -10.094
  202   1HD   ARG  73          2HD       ARG  73  -2.554 -25.603 -11.611
  203   2HD   ARG  73          1HD       ARG  73  -1.246 -26.767 -11.752
  204    HE   ARG  73           HE       ARG  73  -3.746 -28.107 -12.199
  205   1HH1  ARG  73          1HH2      ARG  73  -0.969 -27.287 -13.679
  206   2HH1  ARG  73          2HH2      ARG  73  -1.600 -27.024 -15.270
  207   1HH2  ARG  73          2HH1      ARG  73  -4.921 -27.140 -14.126
  208   2HH2  ARG  73          1HH1      ARG  73  -3.930 -26.944 -15.529
  209    H    ILE  74           H        ILE  74  -6.115 -28.254  -8.358
  210    HA   ILE  74           HA       ILE  74  -5.406 -30.772  -9.634
  211    HB   ILE  74           HB       ILE  74  -7.167 -30.182  -7.191
  212   1HG1  ILE  74          2HG1      ILE  74  -4.171 -30.788  -7.434
  213   2HG1  ILE  74          1HG1      ILE  74  -4.832 -29.235  -7.015
  214   1HG2  ILE  74          1HG2      ILE  74  -7.424 -32.493  -8.156
  215   2HG2  ILE  74          3HG2      ILE  74  -5.688 -32.722  -8.057
  216   3HG2  ILE  74          2HG2      ILE  74  -6.643 -32.549  -6.589
  217   1HD1  ILE  74          1HD1      ILE  74  -5.869 -30.176  -4.968
  218   2HD1  ILE  74          3HD1      ILE  74  -5.162 -31.746  -5.326
  219   3HD1  ILE  74          2HD1      ILE  74  -4.126 -30.380  -4.966
  220    H    GLY  75           H        GLY  75  -8.389 -28.936  -9.081
  221   1HA   GLY  75          2HA       GLY  75 -10.146 -28.899 -10.783
  222   2HA   GLY  75          1HA       GLY  75  -9.663 -30.520 -11.279
  223   1HN   NH2  76          1HT       GLY  75 -10.461 -29.209  -8.042
  224   2HN   NH2  76          2HT       GLY  75 -11.698 -30.357  -7.738
   
  No H/Q in entry =         224
  Start of MODEL   18
    1   1H    ACE  50A         1HA       ACE  50A  7.433   3.728   5.991
    2   2H    ACE  50A         2HA       ACE  50A  6.928   2.991   7.513
    3   3H    ACE  50A         3HA       ACE  50A  6.616   4.703   7.221
    4    H    TYR  50           H        TYR  50   5.251   5.100   5.193
    5    HA   TYR  50           HA       TYR  50   2.818   3.486   5.442
    6   1HB   TYR  50          2HB       TYR  50   2.916   6.068   5.079
    7   2HB   TYR  50          1HB       TYR  50   3.360   5.718   3.416
    8    HD1  TYR  50           HD1      TYR  50   0.647   5.455   5.920
    9    HD2  TYR  50           HD2      TYR  50   1.711   4.798   1.845
   10    HE1  TYR  50           HE1      TYR  50  -1.714   5.150   5.341
   11    HE2  TYR  50           HE2      TYR  50  -0.648   4.494   1.283
   12    HH   TYR  50           HH       TYR  50  -2.950   5.396   2.444
   13    H    GLY  51           H        GLY  51   4.253   1.630   4.768
   14   1HA   GLY  51          2HA       GLY  51   3.516   0.830   2.054
   15   2HA   GLY  51          1HA       GLY  51   5.257   1.074   2.226
   16    H    ASP  52           H        ASP  52   3.003  -0.025   4.645
   17    HA   ASP  52           HA       ASP  52   4.301  -2.729   4.669
   18   1HB   ASP  52          2HB       ASP  52   4.262  -2.696   7.098
   19   2HB   ASP  52          1HB       ASP  52   5.037  -1.214   6.564
   20    H    THR  53           H        THR  53   1.706  -1.746   3.472
   21    HA   THR  53           HA       THR  53  -0.231  -3.199   5.141
   22    HB   THR  53           HB       THR  53  -1.004  -0.982   4.147
   23    HG1  THR  53           HG1      THR  53  -2.852  -1.973   3.880
   24   1HG2  THR  53          3HG2      THR  53  -0.598  -2.386   1.438
   25   2HG2  THR  53          2HG2      THR  53  -1.247  -0.786   1.693
   26   3HG2  THR  53          1HG2      THR  53   0.445  -1.090   2.010
   27    H    TRP  54           H        TRP  54   1.348  -3.517   2.357
   28    HA   TRP  54           HA       TRP  54  -0.124  -5.605   1.238
   29   1HB   TRP  54          2HB       TRP  54   2.883  -5.045   1.027
   30   2HB   TRP  54          1HB       TRP  54   2.050  -6.212   0.000
   31    HD1  TRP  54           HD1      TRP  54   2.466  -2.447   0.464
   32    HE1  TRP  54           HE1      TRP  54   1.226  -1.206  -1.350
   33    HE3  TRP  54           HE3      TRP  54  -0.085  -6.345  -1.447
   34    HZ2  TRP  54           HZ2      TRP  54  -0.608  -1.795  -3.317
   35    HZ3  TRP  54           HZ3      TRP  54  -1.622  -5.960  -3.344
   36    HH2  TRP  54           HH2      TRP  54  -1.884  -3.679  -4.277
   37    H    ALA  55           H        ALA  55   1.919  -5.711   3.930
   38    HA   ALA  55           HA       ALA  55   2.532  -8.542   3.882
   39   1HB   ALA  55          1HB       ALA  55   2.216  -6.649   6.290
   40   2HB   ALA  55          3HB       ALA  55   3.005  -8.218   6.333
   41   3HB   ALA  55          2HB       ALA  55   3.721  -6.904   5.415
   42    H    GLY  56           H        GLY  56  -0.149  -6.619   4.856
   43   1HA   GLY  56          2HA       GLY  56  -1.613  -8.725   6.246
   44   2HA   GLY  56          1HA       GLY  56  -2.295  -7.176   5.694
   45    H    VAL  57           H        VAL  57  -1.645  -7.144   3.101
   46    HA   VAL  57           HA       VAL  57  -3.646  -8.581   1.827
   47    HB   VAL  57           HB       VAL  57  -0.996  -7.529   0.795
   48   1HG1  VAL  57          2HG1      VAL  57  -3.529  -8.264  -0.731
   49   2HG1  VAL  57          1HG1      VAL  57  -2.125  -7.471  -1.437
   50   3HG1  VAL  57          3HG1      VAL  57  -1.993  -9.113  -0.833
   51   1HG2  VAL  57          2HG2      VAL  57  -2.447  -5.780   1.863
   52   2HG2  VAL  57          1HG2      VAL  57  -2.344  -5.518   0.136
   53   3HG2  VAL  57          3HG2      VAL  57  -3.779  -6.249   0.830
   54    H    GLU  58           H        GLU  58  -0.192  -9.517   2.048
   55    HA   GLU  58           HA       GLU  58  -0.572 -11.922   0.569
   56   1HB   GLU  58          2HB       GLU  58   1.560 -10.843   2.335
   57   2HB   GLU  58          1HB       GLU  58   1.468 -12.587   2.421
   58   1HG   GLU  58          2HG       GLU  58   1.385 -12.420  -0.231
   59   2HG   GLU  58          1HG       GLU  58   2.074 -10.830   0.048
   60    H    ALA  59           H        ALA  59  -1.450 -11.218   3.805
   61    HA   ALA  59           HA       ALA  59  -1.476 -14.019   4.644
   62   1HB   ALA  59          1HB       ALA  59  -1.390 -12.087   6.310
   63   2HB   ALA  59          3HB       ALA  59  -2.983 -11.578   5.780
   64   3HB   ALA  59          2HB       ALA  59  -2.789 -13.112   6.613
   65    H    ILE  60           H        ILE  60  -3.352 -12.048   2.747
   66    HA   ILE  60           HA       ILE  60  -5.806 -13.651   3.004
   67    HB   ILE  60           HB       ILE  60  -5.197 -11.472   0.922
   68   1HG1  ILE  60          2HG1      ILE  60  -6.183 -11.018   3.787
   69   2HG1  ILE  60          1HG1      ILE  60  -4.591 -10.615   3.214
   70   1HG2  ILE  60          2HG2      ILE  60  -7.298 -12.808   0.676
   71   2HG2  ILE  60          1HG2      ILE  60  -7.788 -12.333   2.296
   72   3HG2  ILE  60          3HG2      ILE  60  -7.651 -11.131   1.025
   73   1HD1  ILE  60          3HD1      ILE  60  -5.578  -9.071   1.541
   74   2HD1  ILE  60          2HD1      ILE  60  -7.169  -9.410   2.201
   75   3HD1  ILE  60          1HD1      ILE  60  -5.947  -8.648   3.207
   76    H    ILE  61           H        ILE  61  -3.552 -12.736   0.401
   77    HA   ILE  61           HA       ILE  61  -4.408 -14.631  -1.518
   78    HB   ILE  61           HB       ILE  61  -2.402 -14.106  -2.654
   79   1HG1  ILE  61          2HG1      ILE  61  -0.647 -12.719  -1.351
   80   2HG1  ILE  61          1HG1      ILE  61  -1.301 -13.629   0.015
   81   1HG2  ILE  61          1HG2      ILE  61  -3.990 -12.251  -2.515
   82   2HG2  ILE  61          3HG2      ILE  61  -3.212 -11.656  -1.063
   83   3HG2  ILE  61          2HG2      ILE  61  -2.340 -11.673  -2.576
   84   1HD1  ILE  61          2HD1      ILE  61  -0.926 -15.756  -1.239
   85   2HD1  ILE  61          1HD1      ILE  61  -0.319 -14.809  -2.570
   86   3HD1  ILE  61          3HD1      ILE  61   0.544 -14.833  -1.024
   87    H    ARG  62           H        ARG  62  -2.101 -14.996   1.187
   88    HA   ARG  62           HA       ARG  62  -1.100 -17.538   0.492
   89   1HB   ARG  62          2HB       ARG  62  -1.455 -16.110   3.066
   90   2HB   ARG  62          1HB       ARG  62  -0.890 -17.773   3.043
   91   1HG   ARG  62          2HG       ARG  62   0.926 -17.182   1.461
   92   2HG   ARG  62          1HG       ARG  62   0.405 -15.508   1.423
   93   1HD   ARG  62          2HD       ARG  62   0.740 -15.394   3.869
   94   2HD   ARG  62          1HD       ARG  62   1.304 -17.077   3.839
   95    HE   ARG  62           HE       ARG  62   2.834 -15.446   2.000
   96   1HH1  ARG  62          2HH1      ARG  62   4.206 -17.451   3.570
   97   2HH1  ARG  62          1HH1      ARG  62   5.007 -16.560   4.815
   98   1HH2  ARG  62          1HH2      ARG  62   2.999 -13.713   4.320
   99   2HH2  ARG  62          2HH2      ARG  62   4.300 -14.369   5.252
  100    H    ILE  63           H        ILE  63  -4.270 -16.684   1.776
  101    HA   ILE  63           HA       ILE  63  -4.852 -19.619   1.918
  102    HB   ILE  63           HB       ILE  63  -4.575 -18.527   4.125
  103   1HG1  ILE  63          2HG1      ILE  63  -7.503 -19.148   3.705
  104   2HG1  ILE  63          1HG1      ILE  63  -6.274 -20.353   3.427
  105   1HG2  ILE  63          2HG2      ILE  63  -5.398 -16.269   3.512
  106   2HG2  ILE  63          1HG2      ILE  63  -7.017 -16.922   3.278
  107   3HG2  ILE  63          3HG2      ILE  63  -6.288 -16.925   4.875
  108   1HD1  ILE  63          2HD1      ILE  63  -5.395 -20.062   5.690
  109   2HD1  ILE  63          1HD1      ILE  63  -6.588 -18.804   6.011
  110   3HD1  ILE  63          3HD1      ILE  63  -7.108 -20.466   5.737
  111    H    LEU  64           H        LEU  64  -5.526 -16.837   0.365
  112    HA   LEU  64           HA       LEU  64  -8.388 -17.335  -0.141
  113   1HB   LEU  64          2HB       LEU  64  -7.572 -15.009   0.081
  114   2HB   LEU  64          1HB       LEU  64  -6.350 -15.253  -1.129
  115    HG   LEU  64           HG       LEU  64  -8.309 -15.686  -2.783
  116   1HD1  LEU  64          1HD1      LEU  64 -10.081 -16.011  -1.048
  117   2HD1  LEU  64          3HD1      LEU  64  -9.857 -14.352  -0.516
  118   3HD1  LEU  64          2HD1      LEU  64 -10.481 -14.684  -2.121
  119   1HD2  LEU  64          3HD2      LEU  64  -6.979 -13.596  -2.786
  120   2HD2  LEU  64          2HD2      LEU  64  -8.662 -13.264  -3.134
  121   3HD2  LEU  64          1HD2      LEU  64  -8.022 -12.928  -1.541
  122    H    GLN  65           H        GLN  65  -6.245 -16.407  -2.703
  123    HA   GLN  65           HA       GLN  65  -7.226 -18.598  -4.271
  124   1HB   GLN  65          2HB       GLN  65  -5.784 -17.686  -6.044
  125   2HB   GLN  65          1HB       GLN  65  -6.458 -16.320  -5.202
  126   1HG   GLN  65          2HG       GLN  65  -4.322 -15.541  -4.913
  127   2HG   GLN  65          1HG       GLN  65  -3.997 -16.875  -3.824
  128   1HE2  GLN  65          2HE2      GLN  65  -2.369 -18.788  -6.428
  129   2HE2  GLN  65          1HE2      GLN  65  -3.307 -19.006  -5.022
  130    H    GLN  66           H        GLN  66  -5.177 -18.925  -1.746
  131    HA   GLN  66           HA       GLN  66  -3.284 -20.680  -3.196
  132   1HB   GLN  66          2HB       GLN  66  -2.708 -19.410  -0.998
  133   2HB   GLN  66          1HB       GLN  66  -3.741 -20.570  -0.198
  134   1HG   GLN  66          2HG       GLN  66  -2.427 -22.472  -1.015
  135   2HG   GLN  66          1HG       GLN  66  -1.388 -21.408  -1.949
  136   1HE2  GLN  66          2HE2      GLN  66   0.202 -20.102   0.976
  137   2HE2  GLN  66          1HE2      GLN  66  -0.335 -19.602  -0.558
  138    H    LEU  67           H        LEU  67  -6.199 -20.751  -1.348
  139    HA   LEU  67           HA       LEU  67  -6.284 -23.670  -1.104
  140   1HB   LEU  67          2HB       LEU  67  -8.416 -21.517  -0.709
  141   2HB   LEU  67          1HB       LEU  67  -8.645 -23.209  -0.314
  142    HG   LEU  67           HG       LEU  67  -6.557 -21.344   0.899
  143   1HD1  LEU  67          1HD1      LEU  67  -9.084 -22.636   2.074
  144   2HD1  LEU  67          3HD1      LEU  67  -7.957 -21.645   2.973
  145   3HD1  LEU  67          2HD1      LEU  67  -8.897 -20.934   1.682
  146   1HD2  LEU  67          3HD2      LEU  67  -7.219 -24.275   1.591
  147   2HD2  LEU  67          2HD2      LEU  67  -5.719 -23.742   0.857
  148   3HD2  LEU  67          1HD2      LEU  67  -6.105 -23.263   2.487
  149    H    LEU  68           H        LEU  68  -7.522 -21.168  -3.074
  150    HA   LEU  68           HA       LEU  68  -9.044 -23.017  -4.707
  151   1HB   LEU  68          2HB       LEU  68  -8.088 -20.134  -5.139
  152   2HB   LEU  68          1HB       LEU  68  -9.101 -20.934  -6.305
  153    HG   LEU  68           HG       LEU  68  -9.938 -20.565  -3.376
  154   1HD1  LEU  68          3HD1      LEU  68 -10.665 -18.865  -5.815
  155   2HD1  LEU  68          2HD1      LEU  68 -11.344 -18.687  -4.206
  156   3HD1  LEU  68          1HD1      LEU  68  -9.649 -18.339  -4.481
  157   1HD2  LEU  68          2HD2      LEU  68 -11.534 -21.228  -5.914
  158   2HD2  LEU  68          1HD2      LEU  68 -11.127 -22.390  -4.669
  159   3HD2  LEU  68          3HD2      LEU  68 -12.205 -21.067  -4.307
  160    H    PHE  69           H        PHE  69  -5.836 -21.619  -4.861
  161    HA   PHE  69           HA       PHE  69  -5.377 -22.601  -7.463
  162   1HB   PHE  69          2HB       PHE  69  -3.649 -21.117  -6.551
  163   2HB   PHE  69          1HB       PHE  69  -3.634 -21.961  -5.016
  164    HD1  PHE  69           HD1      PHE  69  -2.879 -22.655  -8.629
  165    HD2  PHE  69           HD2      PHE  69  -1.868 -23.368  -4.559
  166    HE1  PHE  69           HE1      PHE  69  -0.927 -23.985  -9.337
  167    HE2  PHE  69           HE2      PHE  69   0.069 -24.693  -5.265
  168    HZ   PHE  69           HZ       PHE  69   0.541 -25.001  -7.654
  169    H    ILE  70           H        ILE  70  -5.203 -24.087  -4.262
  170    HA   ILE  70           HA       ILE  70  -4.356 -26.458  -5.691
  171    HB   ILE  70           HB       ILE  70  -4.430 -27.567  -3.470
  172   1HG1  ILE  70          2HG1      ILE  70  -4.568 -25.732  -1.546
  173   2HG1  ILE  70          1HG1      ILE  70  -5.632 -24.986  -2.713
  174   1HG2  ILE  70          1HG2      ILE  70  -2.351 -26.456  -4.228
  175   2HG2  ILE  70          3HG2      ILE  70  -2.909 -24.931  -3.559
  176   3HG2  ILE  70          2HG2      ILE  70  -2.513 -26.267  -2.492
  177   1HD1  ILE  70          2HD1      ILE  70  -5.910 -27.823  -1.701
  178   2HD1  ILE  70          1HD1      ILE  70  -6.893 -26.456  -1.178
  179   3HD1  ILE  70          3HD1      ILE  70  -7.017 -27.049  -2.819
  180    H    HIS  71           H        HIS  71  -7.287 -25.170  -4.725
  181    HA   HIS  71           HA       HIS  71  -8.711 -27.768  -4.915
  182   1HB   HIS  71          2HB       HIS  71  -9.355 -25.945  -3.259
  183   2HB   HIS  71          1HB       HIS  71  -9.865 -24.975  -4.635
  184    HD1  HIS  71           HD1      HIS  71 -10.899 -27.938  -2.650
  185    HD2  HIS  71           HD2      HIS  71 -12.095 -25.822  -6.009
  186    HE1  HIS  71           HE1      HIS  71 -13.201 -28.671  -3.287
  187    H    PHE  72           H        PHE  72  -7.712 -25.302  -6.879
  188    HA   PHE  72           HA       PHE  72  -9.642 -26.061  -9.042
  189   1HB   PHE  72          2HB       PHE  72  -8.866 -23.445  -8.104
  190   2HB   PHE  72          1HB       PHE  72  -8.223 -23.582  -9.702
  191    HD1  PHE  72           HD2      PHE  72 -11.228 -24.163  -7.583
  192    HD2  PHE  72           HD1      PHE  72  -9.845 -23.192 -11.491
  193    HE1  PHE  72           HE2      PHE  72 -13.539 -23.687  -8.281
  194    HE2  PHE  72           HE1      PHE  72 -12.151 -22.720 -12.186
  195    HZ   PHE  72           HZ       PHE  72 -13.997 -22.965 -10.583
  196    H    ARG  73           H        ARG  73  -6.246 -25.125  -8.615
  197    HA   ARG  73           HA       ARG  73  -5.575 -25.851 -11.320
  198   1HB   ARG  73          2HB       ARG  73  -4.165 -24.772  -9.109
  199   2HB   ARG  73          1HB       ARG  73  -3.280 -26.231  -9.469
  200   1HG   ARG  73          2HG       ARG  73  -4.209 -23.946 -11.259
  201   2HG   ARG  73          1HG       ARG  73  -2.609 -24.072 -10.570
  202   1HD   ARG  73          2HD       ARG  73  -3.728 -26.143 -12.529
  203   2HD   ARG  73          1HD       ARG  73  -2.715 -24.795 -13.019
  204    HE   ARG  73           HE       ARG  73  -1.730 -26.673 -10.927
  205   1HH1  ARG  73          2HH1      ARG  73  -0.185 -24.442 -12.334
  206   2HH1  ARG  73          1HH1      ARG  73   0.796 -25.333 -13.447
  207   1HH2  ARG  73          1HH2      ARG  73  -1.147 -28.241 -13.058
  208   2HH2  ARG  73          2HH2      ARG  73   0.225 -27.580 -13.868
  209    H    ILE  74           H        ILE  74  -6.089 -27.778  -8.531
  210    HA   ILE  74           HA       ILE  74  -4.788 -30.132  -9.738
  211    HB   ILE  74           HB       ILE  74  -6.415 -29.796  -7.155
  212   1HG1  ILE  74          2HG1      ILE  74  -3.426 -29.616  -7.798
  213   2HG1  ILE  74          1HG1      ILE  74  -4.437 -28.362  -7.130
  214   1HG2  ILE  74          2HG2      ILE  74  -4.539 -32.008  -8.075
  215   2HG2  ILE  74          1HG2      ILE  74  -5.344 -31.935  -6.507
  216   3HG2  ILE  74          3HG2      ILE  74  -6.287 -32.136  -7.965
  217   1HD1  ILE  74          2HD1      ILE  74  -4.749 -29.662  -5.034
  218   2HD1  ILE  74          1HD1      ILE  74  -3.697 -30.924  -5.657
  219   3HD1  ILE  74          3HD1      ILE  74  -3.056 -29.325  -5.338
  220    H    GLY  75           H        GLY  75  -7.688 -28.550  -9.975
  221   1HA   GLY  75          2HA       GLY  75  -9.065 -29.730 -11.886
  222   2HA   GLY  75          1HA       GLY  75  -9.274 -30.992 -10.675
  223   1HN   NH2  76          1HT       GLY  75  -9.548 -29.196  -8.414
  224   2HN   NH2  76          2HT       GLY  75 -11.036 -28.416  -8.562
   
  No H/Q in entry =         224
  Start of MODEL   19
    1   1H    ACE  50A         1HA       ACE  50A  3.098   3.479  -1.430
    2   2H    ACE  50A         2HA       ACE  50A  1.361   3.179  -1.453
    3   3H    ACE  50A         3HA       ACE  50A  2.335   2.801  -2.874
    4    H    TYR  50           H        TYR  50   4.281   1.271  -2.231
    5    HA   TYR  50           HA       TYR  50   3.055  -1.172  -1.241
    6   1HB   TYR  50          2HB       TYR  50   6.000  -0.648  -1.852
    7   2HB   TYR  50          1HB       TYR  50   5.228  -2.211  -1.732
    8    HD1  TYR  50           HD2      TYR  50   2.668  -1.654  -3.318
    9    HD2  TYR  50           HD1      TYR  50   6.738  -0.644  -4.114
   10    HE1  TYR  50           HE2      TYR  50   2.193  -1.598  -5.706
   11    HE2  TYR  50           HE1      TYR  50   6.240  -0.594  -6.509
   12    HH   TYR  50           HH       TYR  50   3.386  -1.818  -7.833
   13    H    GLY  51           H        GLY  51   3.820   1.257   0.520
   14   1HA   GLY  51          2HA       GLY  51   5.502   1.161   2.504
   15   2HA   GLY  51          1HA       GLY  51   3.809   1.293   2.910
   16    H    ASP  52           H        ASP  52   2.713  -0.722   3.452
   17    HA   ASP  52           HA       ASP  52   4.224  -3.129   4.031
   18   1HB   ASP  52          2HB       ASP  52   3.848  -1.137   6.274
   19   2HB   ASP  52          1HB       ASP  52   3.814  -2.838   6.680
   20    H    THR  53           H        THR  53   1.208  -1.530   3.950
   21    HA   THR  53           HA       THR  53  -0.348  -3.245   5.527
   22    HB   THR  53           HB       THR  53  -2.150  -2.256   3.756
   23    HG1  THR  53           HG1      THR  53  -1.023  -1.582   2.048
   24   1HG2  THR  53          2HG2      THR  53  -0.173  -0.208   4.968
   25   2HG2  THR  53          1HG2      THR  53  -1.838   0.100   4.515
   26   3HG2  THR  53          3HG2      THR  53  -1.480  -0.911   5.901
   27    H    TRP  54           H        TRP  54   1.023  -3.394   2.659
   28    HA   TRP  54           HA       TRP  54  -0.382  -5.428   1.487
   29   1HB   TRP  54          2HB       TRP  54   2.626  -4.821   1.187
   30   2HB   TRP  54          1HB       TRP  54   1.700  -5.800   0.046
   31    HD1  TRP  54           HD1      TRP  54   2.322  -2.163   0.951
   32    HE1  TRP  54           HE1      TRP  54   0.918  -0.644  -0.473
   33    HE3  TRP  54           HE3      TRP  54  -0.634  -5.676  -1.119
   34    HZ2  TRP  54           HZ2      TRP  54  -1.167  -0.891  -2.250
   35    HZ3  TRP  54           HZ3      TRP  54  -2.379  -4.975  -2.724
   36    HH2  TRP  54           HH2      TRP  54  -2.645  -2.585  -3.288
   37    H    ALA  55           H        ALA  55   1.813  -5.609   4.073
   38    HA   ALA  55           HA       ALA  55   2.526  -8.405   3.812
   39   1HB   ALA  55          2HB       ALA  55   2.305  -6.656   6.336
   40   2HB   ALA  55          1HB       ALA  55   3.149  -8.194   6.249
   41   3HB   ALA  55          3HB       ALA  55   3.757  -6.809   5.357
   42    H    GLY  56           H        GLY  56  -0.144  -6.632   5.055
   43   1HA   GLY  56          2HA       GLY  56  -1.449  -8.864   6.414
   44   2HA   GLY  56          1HA       GLY  56  -2.226  -7.316   5.977
   45    H    VAL  57           H        VAL  57  -1.789  -7.095   3.378
   46    HA   VAL  57           HA       VAL  57  -3.748  -8.549   2.108
   47    HB   VAL  57           HB       VAL  57  -1.172  -7.366   1.009
   48   1HG1  VAL  57          1HG1      VAL  57  -3.740  -8.102  -0.454
   49   2HG1  VAL  57          3HG1      VAL  57  -2.376  -7.245  -1.167
   50   3HG1  VAL  57          2HG1      VAL  57  -2.188  -8.907  -0.639
   51   1HG2  VAL  57          2HG2      VAL  57  -2.610  -5.713   2.209
   52   2HG2  VAL  57          1HG2      VAL  57  -2.600  -5.374   0.491
   53   3HG2  VAL  57          3HG2      VAL  57  -3.980  -6.174   1.219
   54    H    GLU  58           H        GLU  58  -0.264  -9.311   2.037
   55    HA   GLU  58           HA       GLU  58  -0.554 -11.690   0.499
   56   1HB   GLU  58          2HB       GLU  58   1.533 -10.374   2.146
   57   2HB   GLU  58          1HB       GLU  58   1.638 -12.101   2.342
   58   1HG   GLU  58          2HG       GLU  58   1.305 -11.400  -0.499
   59   2HG   GLU  58          1HG       GLU  58   2.657 -10.541   0.205
   60    H    ALA  59           H        ALA  59  -1.255 -11.208   3.827
   61    HA   ALA  59           HA       ALA  59  -1.112 -14.052   4.501
   62   1HB   ALA  59          2HB       ALA  59  -1.034 -12.248   6.254
   63   2HB   ALA  59          1HB       ALA  59  -2.674 -11.782   5.846
   64   3HB   ALA  59          3HB       ALA  59  -2.363 -13.357   6.559
   65    H    ILE  60           H        ILE  60  -3.312 -12.006   2.975
   66    HA   ILE  60           HA       ILE  60  -5.629 -13.791   3.245
   67    HB   ILE  60           HB       ILE  60  -5.403 -11.470   1.257
   68   1HG1  ILE  60          2HG1      ILE  60  -5.979 -11.135   4.254
   69   2HG1  ILE  60          1HG1      ILE  60  -4.478 -10.701   3.496
   70   1HG2  ILE  60          1HG2      ILE  60  -7.469 -12.891   1.306
   71   2HG2  ILE  60          3HG2      ILE  60  -7.700 -12.504   3.005
   72   3HG2  ILE  60          2HG2      ILE  60  -7.829 -11.247   1.787
   73   1HD1  ILE  60          3HD1      ILE  60  -5.647  -9.117   2.013
   74   2HD1  ILE  60          2HD1      ILE  60  -7.154  -9.479   2.837
   75   3HD1  ILE  60          1HD1      ILE  60  -5.819  -8.752   3.719
   76    H    ILE  61           H        ILE  61  -3.516 -12.661   0.651
   77    HA   ILE  61           HA       ILE  61  -4.588 -14.446  -1.348
   78    HB   ILE  61           HB       ILE  61  -2.709 -13.689  -2.670
   79   1HG1  ILE  61          2HG1      ILE  61  -0.892 -12.340  -1.456
   80   2HG1  ILE  61          1HG1      ILE  61  -1.376 -13.372  -0.108
   81   1HG2  ILE  61          3HG2      ILE  61  -4.341 -11.901  -2.233
   82   2HG2  ILE  61          2HG2      ILE  61  -3.446 -11.399  -0.819
   83   3HG2  ILE  61          1HG2      ILE  61  -2.724 -11.265  -2.406
   84   1HD1  ILE  61          3HD1      ILE  61  -1.043 -15.390  -1.535
   85   2HD1  ILE  61          2HD1      ILE  61  -0.600 -14.340  -2.855
   86   3HD1  ILE  61          1HD1      ILE  61   0.405 -14.421  -1.403
   87    H    ARG  62           H        ARG  62  -2.086 -14.806   1.110
   88    HA   ARG  62           HA       ARG  62  -0.998 -17.248   0.198
   89   1HB   ARG  62          2HB       ARG  62  -1.120 -15.867   2.786
   90   2HB   ARG  62          1HB       ARG  62  -0.953 -17.607   2.896
   91   1HG   ARG  62          2HG       ARG  62   0.919 -17.501   1.168
   92   2HG   ARG  62          1HG       ARG  62   0.837 -15.749   1.267
   93   1HD   ARG  62          2HD       ARG  62   1.469 -15.754   3.545
   94   2HD   ARG  62          1HD       ARG  62   1.199 -17.501   3.684
   95    HE   ARG  62           HE       ARG  62   3.147 -17.766   2.073
   96   1HH1  ARG  62          2HH1      ARG  62   3.555 -14.912   1.485
   97   2HH1  ARG  62          1HH1      ARG  62   4.885 -14.488   2.504
   98   1HH2  ARG  62          1HH2      ARG  62   4.462 -17.345   4.517
   99   2HH2  ARG  62          2HH2      ARG  62   5.413 -15.918   4.299
  100    H    ILE  63           H        ILE  63  -4.170 -16.667   1.568
  101    HA   ILE  63           HA       ILE  63  -4.525 -19.658   1.728
  102    HB   ILE  63           HB       ILE  63  -4.668 -18.597   3.881
  103   1HG1  ILE  63          2HG1      ILE  63  -7.552 -19.098   3.192
  104   2HG1  ILE  63          1HG1      ILE  63  -6.393 -20.359   2.890
  105   1HG2  ILE  63          1HG2      ILE  63  -6.908 -16.895   2.738
  106   2HG2  ILE  63          3HG2      ILE  63  -6.439 -16.993   4.427
  107   3HG2  ILE  63          2HG2      ILE  63  -5.321 -16.315   3.259
  108   1HD1  ILE  63          3HD1      ILE  63  -6.781 -18.964   5.571
  109   2HD1  ILE  63          2HD1      ILE  63  -7.357 -20.578   5.163
  110   3HD1  ILE  63          1HD1      ILE  63  -5.633 -20.259   5.242
  111    H    LEU  64           H        LEU  64  -6.012 -16.671   0.714
  112    HA   LEU  64           HA       LEU  64  -8.442 -17.653  -0.343
  113   1HB   LEU  64          2HB       LEU  64  -8.064 -15.277   0.138
  114   2HB   LEU  64          1HB       LEU  64  -6.739 -15.199  -0.992
  115    HG   LEU  64           HG       LEU  64  -8.346 -15.743  -2.832
  116   1HD1  LEU  64          2HD1      LEU  64 -10.458 -15.330  -0.654
  117   2HD1  LEU  64          1HD1      LEU  64 -10.800 -15.493  -2.368
  118   3HD1  LEU  64          3HD1      LEU  64 -10.144 -16.845  -1.481
  119   1HD2  LEU  64          1HD2      LEU  64  -9.001 -13.251  -1.199
  120   2HD2  LEU  64          3HD2      LEU  64  -7.729 -13.387  -2.396
  121   3HD2  LEU  64          2HD2      LEU  64  -9.407 -13.473  -2.892
  122    H    GLN  65           H        GLN  65  -5.963 -16.339  -2.501
  123    HA   GLN  65           HA       GLN  65  -6.889 -18.251  -4.463
  124   1HB   GLN  65          2HB       GLN  65  -4.320 -16.508  -4.458
  125   2HB   GLN  65          1HB       GLN  65  -5.001 -17.263  -5.874
  126   1HG   GLN  65          2HG       GLN  65  -6.997 -15.804  -5.783
  127   2HG   GLN  65          1HG       GLN  65  -6.430 -15.042  -4.306
  128   1HE2  GLN  65          2HE2      GLN  65  -3.678 -13.443  -6.141
  129   2HE2  GLN  65          1HE2      GLN  65  -3.839 -14.366  -4.721
  130    H    GLN  66           H        GLN  66  -4.996 -18.746  -1.853
  131    HA   GLN  66           HA       GLN  66  -3.270 -20.654  -3.350
  132   1HB   GLN  66          2HB       GLN  66  -2.583 -19.218  -1.278
  133   2HB   GLN  66          1HB       GLN  66  -3.460 -20.430  -0.361
  134   1HG   GLN  66          2HG       GLN  66  -2.021 -22.195  -0.973
  135   2HG   GLN  66          1HG       GLN  66  -1.378 -21.350  -2.372
  136   1HE2  GLN  66          2HE2      GLN  66   0.688 -19.233  -0.215
  137   2HE2  GLN  66          1HE2      GLN  66  -0.435 -18.996  -1.479
  138    H    LEU  67           H        LEU  67  -6.243 -20.607  -1.497
  139    HA   LEU  67           HA       LEU  67  -6.179 -23.561  -1.217
  140   1HB   LEU  67          2HB       LEU  67  -8.295 -23.297  -0.087
  141   2HB   LEU  67          1HB       LEU  67  -7.206 -22.117   0.564
  142    HG   LEU  67           HG       LEU  67  -8.353 -20.437  -1.039
  143   1HD1  LEU  67          1HD1      LEU  67  -9.709 -22.144  -2.408
  144   2HD1  LEU  67          3HD1      LEU  67 -10.522 -22.599  -0.934
  145   3HD1  LEU  67          2HD1      LEU  67 -10.736 -20.997  -1.599
  146   1HD2  LEU  67          1HD2      LEU  67  -9.918 -21.634   1.301
  147   2HD2  LEU  67          3HD2      LEU  67  -8.674 -20.401   1.410
  148   3HD2  LEU  67          2HD2      LEU  67 -10.190 -20.041   0.616
  149    H    LEU  68           H        LEU  68  -7.291 -21.030  -3.185
  150    HA   LEU  68           HA       LEU  68  -9.018 -22.721  -4.799
  151   1HB   LEU  68          2HB       LEU  68  -7.817 -19.914  -5.229
  152   2HB   LEU  68          1HB       LEU  68  -8.963 -20.566  -6.346
  153    HG   LEU  68           HG       LEU  68  -9.533 -19.979  -3.392
  154   1HD1  LEU  68          2HD1      LEU  68 -10.411 -18.519  -5.934
  155   2HD1  LEU  68          1HD1      LEU  68 -10.905 -18.114  -4.299
  156   3HD1  LEU  68          3HD1      LEU  68  -9.233 -17.924  -4.778
  157   1HD2  LEU  68          1HD2      LEU  68 -11.425 -20.808  -5.670
  158   2HD2  LEU  68          3HD2      LEU  68 -10.954 -21.856  -4.346
  159   3HD2  LEU  68          2HD2      LEU  68 -11.905 -20.424  -4.027
  160    H    PHE  69           H        PHE  69  -5.728 -21.584  -4.991
  161    HA   PHE  69           HA       PHE  69  -5.408 -22.578  -7.637
  162   1HB   PHE  69          2HB       PHE  69  -3.624 -21.097  -6.816
  163   2HB   PHE  69          1HB       PHE  69  -3.551 -21.921  -5.270
  164    HD1  PHE  69           HD1      PHE  69  -3.053 -22.649  -8.893
  165    HD2  PHE  69           HD2      PHE  69  -1.796 -23.430  -4.902
  166    HE1  PHE  69           HE1      PHE  69  -1.233 -24.043  -9.751
  167    HE2  PHE  69           HE2      PHE  69   0.034 -24.830  -5.756
  168    HZ   PHE  69           HZ       PHE  69   0.323 -25.144  -8.176
  169    H    ILE  70           H        ILE  70  -5.248 -24.047  -4.459
  170    HA   ILE  70           HA       ILE  70  -4.261 -26.429  -5.754
  171    HB   ILE  70           HB       ILE  70  -4.497 -27.486  -3.526
  172   1HG1  ILE  70          2HG1      ILE  70  -4.804 -25.653  -1.658
  173   2HG1  ILE  70          1HG1      ILE  70  -5.756 -24.876  -2.901
  174   1HG2  ILE  70          1HG2      ILE  70  -2.405 -26.380  -4.160
  175   2HG2  ILE  70          3HG2      ILE  70  -3.019 -24.836  -3.590
  176   3HG2  ILE  70          2HG2      ILE  70  -2.702 -26.131  -2.450
  177   1HD1  ILE  70          3HD1      ILE  70  -7.153 -26.948  -3.118
  178   2HD1  ILE  70          2HD1      ILE  70  -6.148 -27.707  -1.902
  179   3HD1  ILE  70          1HD1      ILE  70  -7.157 -26.318  -1.488
  180    H    HIS  71           H        HIS  71  -7.311 -25.091  -4.782
  181    HA   HIS  71           HA       HIS  71  -8.662 -27.669  -5.175
  182   1HB   HIS  71          2HB       HIS  71  -9.534 -25.630  -3.763
  183   2HB   HIS  71          1HB       HIS  71 -10.097 -24.992  -5.308
  184    HD1  HIS  71           HD1      HIS  71 -12.289 -25.625  -3.493
  185    HD2  HIS  71           HD2      HIS  71 -10.615 -28.595  -5.861
  186    HE1  HIS  71           HE1      HIS  71 -13.921 -27.495  -3.746
  187    H    PHE  72           H        PHE  72  -7.794 -25.030  -7.041
  188    HA   PHE  72           HA       PHE  72  -9.405 -25.823  -9.402
  189   1HB   PHE  72          2HB       PHE  72  -7.696 -23.427  -8.751
  190   2HB   PHE  72          1HB       PHE  72  -7.623 -23.875 -10.395
  191    HD1  PHE  72           HD2      PHE  72  -9.893 -24.277 -11.619
  192    HD2  PHE  72           HD1      PHE  72  -9.625 -22.314  -7.845
  193    HE1  PHE  72           HE2      PHE  72 -12.116 -23.318 -11.965
  194    HE2  PHE  72           HE1      PHE  72 -11.863 -21.348  -8.200
  195    HZ   PHE  72           HZ       PHE  72 -13.111 -21.850 -10.262
  196    H    ARG  73           H        ARG  73  -6.001 -25.751  -8.514
  197    HA   ARG  73           HA       ARG  73  -4.989 -26.815 -10.954
  198   1HB   ARG  73          2HB       ARG  73  -3.521 -25.976  -9.087
  199   2HB   ARG  73          1HB       ARG  73  -3.988 -27.351  -8.107
  200   1HG   ARG  73          2HG       ARG  73  -2.052 -28.236  -8.943
  201   2HG   ARG  73          1HG       ARG  73  -3.050 -28.679 -10.304
  202   1HD   ARG  73          2HD       ARG  73  -1.385 -26.141 -10.125
  203   2HD   ARG  73          1HD       ARG  73  -0.929 -27.576 -11.021
  204    HE   ARG  73           HE       ARG  73  -3.327 -26.983 -12.161
  205   1HH1  ARG  73          2HH1      ARG  73  -0.288 -25.478 -11.737
  206   2HH1  ARG  73          1HH1      ARG  73  -0.584 -24.188 -12.847
  207   1HH2  ARG  73          1HH2      ARG  73  -3.877 -25.157 -13.473
  208   2HH2  ARG  73          2HH2      ARG  73  -2.632 -24.026 -13.856
  209    H    ILE  74           H        ILE  74  -6.339 -28.346  -8.088
  210    HA   ILE  74           HA       ILE  74  -6.144 -31.020  -9.288
  211    HB   ILE  74           HB       ILE  74  -7.289 -30.116  -6.605
  212   1HG1  ILE  74          2HG1      ILE  74  -4.481 -31.024  -7.411
  213   2HG1  ILE  74          1HG1      ILE  74  -4.906 -29.426  -6.876
  214   1HG2  ILE  74          2HG2      ILE  74  -7.998 -32.388  -7.342
  215   2HG2  ILE  74          1HG2      ILE  74  -6.319 -32.835  -7.587
  216   3HG2  ILE  74          3HG2      ILE  74  -6.917 -32.489  -5.969
  217   1HD1  ILE  74          2HD1      ILE  74  -5.564 -30.273  -4.650
  218   2HD1  ILE  74          1HD1      ILE  74  -5.085 -31.900  -5.118
  219   3HD1  ILE  74          3HD1      ILE  74  -3.883 -30.633  -5.013
  220    H    GLY  75           H        GLY  75  -8.689 -28.727  -8.469
  221   1HA   GLY  75          2HA       GLY  75 -10.758 -30.601  -9.520
  222   2HA   GLY  75          1HA       GLY  75 -11.071 -29.168  -8.551
  223   1HN   NH2  76          1HT       GLY  75  -8.852 -28.542 -11.102
  224   2HN   NH2  76          2HT       GLY  75  -9.973 -27.840 -12.163
   
  No H/Q in entry =         224
  Start of MODEL   20
    1   1H    ACE  50A         1HA       ACE  50A  1.171   5.666   7.162
    2   2H    ACE  50A         2HA       ACE  50A  0.427   4.209   7.807
    3   3H    ACE  50A         3HA       ACE  50A -0.581   5.446   7.050
    4    H    TYR  50           H        TYR  50  -0.653   2.831   6.244
    5    HA   TYR  50           HA       TYR  50  -0.773   1.536   4.377
    6   1HB   TYR  50          2HB       TYR  50   0.183   4.081   2.977
    7   2HB   TYR  50          1HB       TYR  50  -0.224   2.608   2.132
    8    HD1  TYR  50           HD2      TYR  50  -1.642   5.280   4.325
    9    HD2  TYR  50           HD1      TYR  50  -2.529   1.928   1.829
   10    HE1  TYR  50           HE2      TYR  50  -4.026   5.863   4.362
   11    HE2  TYR  50           HE1      TYR  50  -4.901   2.534   1.880
   12    HH   TYR  50           HH       TYR  50  -6.158   4.981   2.294
   13    H    GLY  51           H        GLY  51   2.033   3.226   4.412
   14   1HA   GLY  51          2HA       GLY  51   4.069   2.232   3.025
   15   2HA   GLY  51          1HA       GLY  51   4.322   2.364   4.742
   16    H    ASP  52           H        ASP  52   3.153   0.336   5.845
   17    HA   ASP  52           HA       ASP  52   4.149  -2.119   4.408
   18   1HB   ASP  52          2HB       ASP  52   4.510  -1.505   7.386
   19   2HB   ASP  52          1HB       ASP  52   4.984  -2.994   6.588
   20    H    THR  53           H        THR  53   1.357  -1.111   4.707
   21    HA   THR  53           HA       THR  53   0.141  -3.066   6.532
   22    HB   THR  53           HB       THR  53  -0.916  -0.661   6.124
   23    HG1  THR  53           HG1      THR  53  -2.160  -3.128   6.029
   24   1HG2  THR  53          3HG2      THR  53  -0.676  -0.737   3.525
   25   2HG2  THR  53          2HG2      THR  53  -1.880  -2.012   3.530
   26   3HG2  THR  53          1HG2      THR  53  -2.302  -0.416   4.098
   27    H    TRP  54           H        TRP  54   1.119  -2.949   3.509
   28    HA   TRP  54           HA       TRP  54  -0.667  -4.755   2.317
   29   1HB   TRP  54          2HB       TRP  54   2.331  -4.308   1.729
   30   2HB   TRP  54          1HB       TRP  54   1.230  -5.142   0.628
   31    HD1  TRP  54           HD1      TRP  54   2.183  -1.603   1.727
   32    HE1  TRP  54           HE1      TRP  54   0.763   0.077   0.545
   33    HE3  TRP  54           HE3      TRP  54  -1.175  -4.795  -0.308
   34    HZ2  TRP  54           HZ2      TRP  54  -1.487   0.089  -1.040
   35    HZ3  TRP  54           HZ3      TRP  54  -2.998  -3.870  -1.698
   36    HH2  TRP  54           HH2      TRP  54  -3.154  -1.426  -2.064
   37    H    ALA  55           H        ALA  55   1.739  -5.314   4.599
   38    HA   ALA  55           HA       ALA  55   2.295  -8.072   4.091
   39   1HB   ALA  55          3HB       ALA  55   2.103  -6.590   6.781
   40   2HB   ALA  55          2HB       ALA  55   2.920  -8.124   6.540
   41   3HB   ALA  55          1HB       ALA  55   3.552  -6.670   5.786
   42    H    GLY  56           H        GLY  56  -0.392  -6.409   5.449
   43   1HA   GLY  56          2HA       GLY  56  -1.720  -8.713   6.634
   44   2HA   GLY  56          1HA       GLY  56  -2.505  -7.167   6.236
   45    H    VAL  57           H        VAL  57  -2.156  -6.828   3.687
   46    HA   VAL  57           HA       VAL  57  -4.043  -8.382   2.379
   47    HB   VAL  57           HB       VAL  57  -1.658  -6.751   1.418
   48   1HG1  VAL  57          1HG1      VAL  57  -3.974  -7.795  -0.280
   49   2HG1  VAL  57          3HG1      VAL  57  -2.746  -6.656  -0.826
   50   3HG1  VAL  57          2HG1      VAL  57  -2.295  -8.299  -0.413
   51   1HG2  VAL  57          2HG2      VAL  57  -3.417  -5.482   2.630
   52   2HG2  VAL  57          1HG2      VAL  57  -3.377  -5.008   0.947
   53   3HG2  VAL  57          3HG2      VAL  57  -4.638  -6.085   1.525
   54    H    GLU  58           H        GLU  58  -0.516  -8.774   2.244
   55    HA   GLU  58           HA       GLU  58  -0.700 -11.044   0.510
   56   1HB   GLU  58          2HB       GLU  58   1.435  -9.714   2.034
   57   2HB   GLU  58          1HB       GLU  58   1.614 -11.438   2.214
   58   1HG   GLU  58          2HG       GLU  58   1.090 -11.176  -0.530
   59   2HG   GLU  58          1HG       GLU  58   2.006  -9.734  -0.163
   60    H    ALA  59           H        ALA  59  -1.287 -10.855   3.893
   61    HA   ALA  59           HA       ALA  59  -0.794 -13.707   4.325
   62   1HB   ALA  59          2HB       ALA  59  -2.609 -11.756   5.883
   63   2HB   ALA  59          1HB       ALA  59  -2.092 -13.337   6.461
   64   3HB   ALA  59          3HB       ALA  59  -0.912 -12.058   6.236
   65    H    ILE  60           H        ILE  60  -3.208 -11.847   2.929
   66    HA   ILE  60           HA       ILE  60  -5.308 -13.892   3.081
   67    HB   ILE  60           HB       ILE  60  -5.261 -11.453   1.225
   68   1HG1  ILE  60          2HG1      ILE  60  -6.008 -11.410   4.199
   69   2HG1  ILE  60          1HG1      ILE  60  -4.560 -10.719   3.540
   70   1HG2  ILE  60          3HG2      ILE  60  -7.136 -13.082   1.018
   71   2HG2  ILE  60          2HG2      ILE  60  -7.519 -12.873   2.719
   72   3HG2  ILE  60          1HG2      ILE  60  -7.721 -11.541   1.592
   73   1HD1  ILE  60          2HD1      ILE  60  -5.872  -9.222   2.112
   74   2HD1  ILE  60          1HD1      ILE  60  -7.351  -9.830   2.843
   75   3HD1  ILE  60          3HD1      ILE  60  -6.160  -9.000   3.830
   76    H    ILE  61           H        ILE  61  -3.475 -12.348   0.486
   77    HA   ILE  61           HA       ILE  61  -4.247 -14.206  -1.552
   78    HB   ILE  61           HB       ILE  61  -2.479 -13.126  -2.818
   79   1HG1  ILE  61          2HG1      ILE  61  -0.883 -11.604  -1.484
   80   2HG1  ILE  61          1HG1      ILE  61  -1.230 -12.783  -0.209
   81   1HG2  ILE  61          2HG2      ILE  61  -4.348 -11.595  -2.251
   82   2HG2  ILE  61          1HG2      ILE  61  -3.499 -11.057  -0.817
   83   3HG2  ILE  61          3HG2      ILE  61  -2.838 -10.732  -2.398
   84   1HD1  ILE  61          1HD1      ILE  61  -0.601 -14.646  -1.729
   85   2HD1  ILE  61          3HD1      ILE  61  -0.324 -13.477  -2.995
   86   3HD1  ILE  61          2HD1      ILE  61   0.699 -13.493  -1.553
   87    H    ARG  62           H        ARG  62  -1.751 -14.368   0.904
   88    HA   ARG  62           HA       ARG  62  -0.289 -16.576  -0.053
   89   1HB   ARG  62          2HB       ARG  62  -0.946 -15.540   2.719
   90   2HB   ARG  62          1HB       ARG  62  -0.092 -17.050   2.579
   91   1HG   ARG  62          2HG       ARG  62   0.947 -14.574   1.152
   92   2HG   ARG  62          1HG       ARG  62   1.330 -14.887   2.838
   93   1HD   ARG  62          2HD       ARG  62   2.211 -17.122   2.165
   94   2HD   ARG  62          1HD       ARG  62   1.882 -16.721   0.476
   95    HE   ARG  62           HE       ARG  62   3.446 -14.682   0.958
   96   1HH1  ARG  62          1HH2      ARG  62   4.452 -15.055   3.529
   97   2HH1  ARG  62          2HH2      ARG  62   5.782 -16.146   3.382
   98   1HH2  ARG  62          2HH1      ARG  62   4.774 -17.293   0.239
   99   2HH2  ARG  62          1HH1      ARG  62   5.970 -17.444   1.476
  100    H    ILE  63           H        ILE  63  -3.502 -16.484   1.261
  101    HA   ILE  63           HA       ILE  63  -3.582 -19.491   1.193
  102    HB   ILE  63           HB       ILE  63  -3.723 -18.621   3.411
  103   1HG1  ILE  63          2HG1      ILE  63  -6.579 -19.335   2.753
  104   2HG1  ILE  63          1HG1      ILE  63  -5.309 -20.473   2.374
  105   1HG2  ILE  63          2HG2      ILE  63  -6.150 -17.069   2.451
  106   2HG2  ILE  63          1HG2      ILE  63  -5.620 -17.228   4.117
  107   3HG2  ILE  63          3HG2      ILE  63  -4.611 -16.382   2.971
  108   1HD1  ILE  63          2HD1      ILE  63  -5.765 -19.242   5.120
  109   2HD1  ILE  63          1HD1      ILE  63  -6.214 -20.876   4.641
  110   3HD1  ILE  63          3HD1      ILE  63  -4.520 -20.417   4.706
  111    H    LEU  64           H        LEU  64  -5.409 -16.632   0.457
  112    HA   LEU  64           HA       LEU  64  -7.895 -17.484  -0.375
  113   1HB   LEU  64          2HB       LEU  64  -7.258 -15.144  -0.227
  114   2HB   LEU  64          1HB       LEU  64  -6.052 -15.327  -1.478
  115    HG   LEU  64           HG       LEU  64  -7.838 -15.888  -3.085
  116   1HD1  LEU  64          3HD1      LEU  64  -9.731 -15.069  -0.821
  117   2HD1  LEU  64          2HD1      LEU  64 -10.224 -15.367  -2.478
  118   3HD1  LEU  64          1HD1      LEU  64  -9.619 -16.683  -1.504
  119   1HD2  LEU  64          2HD2      LEU  64  -7.006 -13.577  -2.957
  120   2HD2  LEU  64          1HD2      LEU  64  -8.718 -13.566  -3.321
  121   3HD2  LEU  64          3HD2      LEU  64  -8.169 -13.203  -1.698
  122    H    GLN  65           H        GLN  65  -5.459 -16.736  -2.788
  123    HA   GLN  65           HA       GLN  65  -6.736 -18.626  -4.553
  124   1HB   GLN  65          2HB       GLN  65  -4.852 -18.022  -6.115
  125   2HB   GLN  65          1HB       GLN  65  -5.680 -16.610  -5.506
  126   1HG   GLN  65          2HG       GLN  65  -3.853 -16.163  -3.909
  127   2HG   GLN  65          1HG       GLN  65  -3.065 -17.684  -4.335
  128   1HE2  GLN  65          2HE2      GLN  65  -1.315 -15.617  -6.643
  129   2HE2  GLN  65          1HE2      GLN  65  -1.174 -16.385  -5.133
  130    H    GLN  66           H        GLN  66  -4.777 -19.091  -1.959
  131    HA   GLN  66           HA       GLN  66  -3.031 -21.138  -3.138
  132   1HB   GLN  66          2HB       GLN  66  -2.827 -19.778  -0.839
  133   2HB   GLN  66          1HB       GLN  66  -3.830 -21.085  -0.211
  134   1HG   GLN  66          2HG       GLN  66  -1.514 -21.692   0.192
  135   2HG   GLN  66          1HG       GLN  66  -2.089 -22.721  -1.112
  136   1HE2  GLN  66          2HE2      GLN  66   0.599 -19.763  -1.954
  137   2HE2  GLN  66          1HE2      GLN  66  -0.316 -19.665  -0.517
  138    H    LEU  67           H        LEU  67  -6.122 -20.863  -1.621
  139    HA   LEU  67           HA       LEU  67  -6.662 -23.741  -1.520
  140   1HB   LEU  67          2HB       LEU  67  -8.542 -21.347  -1.258
  141   2HB   LEU  67          1HB       LEU  67  -8.943 -23.001  -0.843
  142    HG   LEU  67           HG       LEU  67  -6.747 -21.352   0.465
  143   1HD1  LEU  67          2HD1      LEU  67  -9.505 -22.203   1.514
  144   2HD1  LEU  67          1HD1      LEU  67  -8.292 -21.348   2.443
  145   3HD1  LEU  67          3HD1      LEU  67  -9.041 -20.569   1.064
  146   1HD2  LEU  67          3HD2      LEU  67  -7.838 -24.113   1.202
  147   2HD2  LEU  67          2HD2      LEU  67  -6.244 -23.800   0.542
  148   3HD2  LEU  67          1HD2      LEU  67  -6.659 -23.213   2.133
  149    H    LEU  68           H        LEU  68  -7.238 -21.074  -3.566
  150    HA   LEU  68           HA       LEU  68  -9.038 -22.559  -5.282
  151   1HB   LEU  68          2HB       LEU  68  -7.460 -19.996  -5.632
  152   2HB   LEU  68          1HB       LEU  68  -8.488 -20.567  -6.905
  153    HG   LEU  68           HG       LEU  68  -9.531 -19.974  -4.075
  154   1HD1  LEU  68          1HD1      LEU  68  -9.721 -18.269  -6.620
  155   2HD1  LEU  68          3HD1      LEU  68 -10.489 -17.911  -5.086
  156   3HD1  LEU  68          2HD1      LEU  68  -8.744 -17.872  -5.218
  157   1HD2  LEU  68          3HD2      LEU  68 -10.906 -21.610  -5.485
  158   2HD2  LEU  68          2HD2      LEU  68 -11.751 -20.100  -5.215
  159   3HD2  LEU  68          1HD2      LEU  68 -10.978 -20.406  -6.756
  160    H    PHE  69           H        PHE  69  -5.620 -21.994  -5.288
  161    HA   PHE  69           HA       PHE  69  -5.280 -23.101  -7.915
  162   1HB   PHE  69          2HB       PHE  69  -3.308 -21.902  -7.145
  163   2HB   PHE  69          1HB       PHE  69  -3.507 -22.428  -5.489
  164    HD1  PHE  69           HD1      PHE  69  -2.670 -23.827  -8.874
  165    HD2  PHE  69           HD2      PHE  69  -2.136 -24.100  -4.659
  166    HE1  PHE  69           HE1      PHE  69  -0.988 -25.590  -9.194
  167    HE2  PHE  69           HE2      PHE  69  -0.467 -25.855  -4.979
  168    HZ   PHE  69           HZ       PHE  69   0.119 -26.614  -7.250
  169    H    ILE  70           H        ILE  70  -5.568 -24.437  -4.680
  170    HA   ILE  70           HA       ILE  70  -4.913 -27.022  -5.853
  171    HB   ILE  70           HB       ILE  70  -5.341 -27.930  -3.613
  172   1HG1  ILE  70          2HG1      ILE  70  -5.503 -25.995  -1.814
  173   2HG1  ILE  70          1HG1      ILE  70  -6.291 -25.174  -3.132
  174   1HG2  ILE  70          2HG2      ILE  70  -3.094 -27.111  -4.163
  175   2HG2  ILE  70          1HG2      ILE  70  -3.528 -25.493  -3.642
  176   3HG2  ILE  70          3HG2      ILE  70  -3.431 -26.797  -2.471
  177   1HD1  ILE  70          3HD1      ILE  70  -7.925 -27.080  -3.326
  178   2HD1  ILE  70          2HD1      ILE  70  -7.082 -27.887  -2.022
  179   3HD1  ILE  70          1HD1      ILE  70  -7.928 -26.369  -1.728
  180    H    HIS  71           H        HIS  71  -7.642 -25.144  -5.055
  181    HA   HIS  71           HA       HIS  71  -9.527 -27.302  -5.229
  182   1HB   HIS  71          2HB       HIS  71 -10.008 -24.955  -4.274
  183   2HB   HIS  71          1HB       HIS  71  -9.977 -24.336  -5.923
  184    HD1  HIS  71           HD1      HIS  71 -12.444 -23.701  -4.624
  185    HD2  HIS  71           HD2      HIS  71 -11.893 -27.469  -6.305
  186    HE1  HIS  71           HE1      HIS  71 -14.666 -24.728  -5.073
  187    H    PHE  72           H        PHE  72  -8.170 -25.108  -7.360
  188    HA   PHE  72           HA       PHE  72  -9.538 -26.057  -9.775
  189   1HB   PHE  72          2HB       PHE  72  -7.618 -23.853  -9.165
  190   2HB   PHE  72          1HB       PHE  72  -7.371 -24.515 -10.723
  191    HD1  PHE  72           HD1      PHE  72  -9.760 -22.814  -8.498
  192    HD2  PHE  72           HD2      PHE  72  -9.216 -24.413 -12.407
  193    HE1  PHE  72           HE1      PHE  72 -11.790 -21.649  -9.267
  194    HE2  PHE  72           HE2      PHE  72 -11.230 -23.253 -13.164
  195    HZ   PHE  72           HZ       PHE  72 -12.527 -21.867 -11.601
  196    H    ARG  73           H        ARG  73  -6.237 -26.288  -8.598
  197    HA   ARG  73           HA       ARG  73  -5.263 -27.809 -10.788
  198   1HB   ARG  73          2HB       ARG  73  -3.803 -26.772  -9.012
  199   2HB   ARG  73          1HB       ARG  73  -4.351 -27.983  -7.870
  200   1HG   ARG  73          2HG       ARG  73  -2.126 -28.518  -8.860
  201   2HG   ARG  73          1HG       ARG  73  -3.310 -29.758  -9.217
  202   1HD   ARG  73          2HD       ARG  73  -1.851 -29.030 -11.218
  203   2HD   ARG  73          1HD       ARG  73  -3.582 -28.934 -11.513
  204    HE   ARG  73           HE       ARG  73  -2.507 -26.457 -10.437
  205   1HH1  ARG  73          1HH2      ARG  73  -4.298 -27.662 -12.894
  206   2HH1  ARG  73          2HH2      ARG  73  -3.688 -26.637 -14.142
  207   1HH2  ARG  73          2HH1      ARG  73  -1.066 -25.435 -12.144
  208   2HH2  ARG  73          1HH1      ARG  73  -1.797 -25.348 -13.707
  209    H    ILE  74           H        ILE  74  -6.880 -28.884  -7.794
  210    HA   ILE  74           HA       ILE  74  -6.632 -31.673  -8.713
  211    HB   ILE  74           HB       ILE  74  -8.024 -30.499  -6.248
  212   1HG1  ILE  74          2HG1      ILE  74  -5.172 -31.522  -6.719
  213   2HG1  ILE  74          1HG1      ILE  74  -5.616 -29.884  -6.314
  214   1HG2  ILE  74          2HG2      ILE  74  -8.710 -32.817  -6.864
  215   2HG2  ILE  74          1HG2      ILE  74  -7.024 -33.319  -6.877
  216   3HG2  ILE  74          3HG2      ILE  74  -7.794 -32.813  -5.372
  217   1HD1  ILE  74          2HD1      ILE  74  -6.455 -30.596  -4.095
  218   2HD1  ILE  74          1HD1      ILE  74  -5.973 -32.251  -4.435
  219   3HD1  ILE  74          3HD1      ILE  74  -4.759 -30.992  -4.312
  220    H    GLY  75           H        GLY  75  -9.134 -29.182  -8.426
  221   1HA   GLY  75          2HA       GLY  75 -10.972 -31.022  -9.925
  222   2HA   GLY  75          1HA       GLY  75 -11.547 -29.938  -8.663
  223   1HN   NH2  76          1HT       GLY  75 -11.155 -27.525  -9.149
  224   2HN   NH2  76          2HT       GLY  75 -11.282 -27.044 -10.781
   
  No H/Q in entry =         224