*HEADER    HAIRPIN                                 05-APR-00   1E0Q
*TITLE     MUTANT PEPTIDE FROM THE FIRST N-TERMINAL 17 AMINO-ACID OF
*TITLE    2 UBIQUITIN
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: UBIQUITIN(1-17)THR9ASP;
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: RESIDUES 1-17;
*COMPND   5 MUTATION: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 SYNTHETIC: YES;
*SOURCE   3 ORGANISM_SCIENTIFIC: BOVINE;
*SOURCE   4 ORGANISM_COMMON: BOVINE
*KEYWDS    HAIRPIN, PEPTIDE, UBIQUITIN, MUTANT PEPTIDE
*EXPDTA    NMR, 27 STRUCTURES
*AUTHOR    R.ZERELLA,P.Y.CHEN,P.A.EVANS,A.RAINE,D.H.WILLIAMS
*REVDAT   1   16-JAN-01 1E0Q    0




!LIST OF INTRARESIDUE CONSTRAINS FOR THE MUTANT U(1-17)T9D
!total number of NOEs = 142

!NOE strength    distance range         Xplor syntax
! strong         0.00-2.5 A             2.50 2.50 0.00        
! medium         0.0-3.5 A              3.50 3.50 0.00   
!  weak          0.0-5.0 A              5.00 5.00 0.00
!very weak       0.0-6.0  A             6.00  6.00 0.00


! residue 1 MET

assi (resi 1 and name HA) (resi 1 and name HB#)  2.50  2.50  0.00
assi (resi 1 and name HA) (resi 1 and name HG#)  3.50  3.50  0.00

assi (resi 1 and name HB#) (resi 1 and name HG#)  2.50  2.50  0.00
assi (resi 1 and name HB#) (resi 1 and name HE#)  2.50  2.50  0.00

assi (resi 1 and name HG#) (resi 1 and name HE#)  3.50  3.50  0.00

! residue 2 GLN

assi (resi 2 and name HN) (resi 2 and name HA)  3.50  3.50  0.00
assi (resi 2 and name HN) (resi 2 and name HB#)  3.50  3.50  0.00
assi (resi 2 and name HN) (resi 2 and name HG#)  5.00  5.00  0.00 

assi (resi 2 and name HA) (resi 2 and name HB#)  2.50  2.50  0.00
assi (resi 2 and name HA) (resi 2 and name HG#)  3.50  3.50  0.00 
assi (resi 2 and name HA) (resi 2 and name HE2#)  6.00  6.00  0.00

assi (resi 2 and name HB#) (resi 2 and name HG#)  2.50  2.50  0.00
assi (resi 2 and name HB#) (resi 2 and name HE2#)  6.00  6.00  0.00

assi (resi 2 and name HG#) (resi 2 and name HE2#)  5.00  5.00  0.00


! residue 3 ILE

assi (resi 3 and name HN) (resi 3 and name HA)  3.50  3.50  0.00
assi (resi 3 and name HN) (resi 3 and name HB)  5.00  5.00  0.00
assi (resi 3 and name HN) (resi 3 and name HG1#)  6.00  6.00  0.00
!intensity is  4.00  with the gCH2 at 1.36ppm
assi (resi 3 and name HN) (resi 3 and name HG2#)  6.00  6.00  0.00
assi (resi 3 and name HN) (resi 3 and name HD1#)  6.00  6.00  0.00

assi (resi 3 and name HA) (resi 3 and name HB)  2.50  2.50 0.00
assi (resi 3 and name HA) (resi 3 and name HG1#)  5.00  5.00  0.00
assi (resi 3 and name HA) (resi 3 and name HG2#)  3.50  3.50  0.00
assi (resi 3 and name HA) (resi 3 and name HD1#)  5.00  5.00  0.00

assi (resi 3 and name HB) (resi 3 and name HG1#)  3.50  3.50  0.00
! the intensity with the gCH2 at 1.06ppm is greater, 2.5A
assi (resi 3 and name HB) (resi 3 and name HG2#)  2.50  2.50 0.00
assi (resi 3 and name HB) (resi 3 and name HD1#)  5.00  5.00  0.00

assi (resi 3 and name HG1#) (resi 3 and name HG2#)  2.50  2.50 0.00
assi (resi 3 and name HG1#) (resi 3 and name HD1#)  2.50  2.50 0.00

! residue 4 PHE

assi (resi 4 and name HN) (resi 4 and name HA)  3.50  3.50  0.00
assi (resi 4 and name HN) (resi 4 and name HB#)  3.50  3.50  0.00
assi (resi 4 and name HN) (resi 4 and name HD#)  6.00  6.00  0.00 
assi (resi 4 and name HN) (resi 4 and name HE#)  6.00  6.00  0.00

assi (resi 4 and name HA) (resi 4 and name HB#)  2.50  2.50 0.00
assi (resi 4 and name HA) (resi 4 and name HD#)  5.00  5.00  0.00  
assi (resi 4 and name HA) (resi 4 and name HE#)  6.00  6.00  0.00

assi (resi 4 and name HB#) (resi 4 and name HD#)  2.50  2.50 0.00
assi (resi 4 and name HB#) (resi 4 and name HE#)  5.00  5.00 0.00
assi (resi 4 and name HB#) (resi 4 and name HZ)   6.00  6.00  0.00

assi (resi 4 and name HD#) (resi 4 and name HE#)  2.50  2.50 0.00
assi (resi 4 and name HD#) (resi 4 and name HZ)  6.00  6.00  0.00 

assi (resi 4 and name HE#) (resi 4 and name HZ)  3.50  3.50  0.00

! residue 5 VAL

assi (resi 5 and name HN) (resi 5 and name HA)  5.00  5.00  0.00
assi (resi 5 and name HN) (resi 5 and name HB)  5.00  5.00  0.00
assi (resi 5 and name HN) (resi 5 and name HG#)  5.00  5.00  0.00

assi (resi 5 and name HA) (resi 5 and name HB)  3.50  3.50  0.00
assi (resi 5 and name HA) (resi 5 and name HG#)  5.00  5.00  0.00   
assi (resi 5 and name HB) (resi 5 and name HG#)  2.50  2.50 0.00

! residue 6 LYS

assi (resi 6 and name HN) (resi 6 and name HA)  3.50  3.50  0.00
assi (resi 6 and name HN) (resi 6 and name HB#)  3.50  3.50  0.00
assi (resi 6 and name HN) (resi 6 and name HG#) 6.00  6.00  0.00 
assi (resi 6 and name HN) (resi 6 and name HD#)  6.00  6.00  0.00 

assi (resi 6 and name HA) (resi 6 and name HB#)  3.50  3.50  0.00
assi (resi 6 and name HA) (resi 6 and name HG#)  5.00  5.00  0.00
assi (resi 6 and name HA) (resi 6 and name HD#)  6.00  6.00  0.00 

!assi (resi 6 and name HB#) (resi 6 and name HB2)  2.50  2.50  0.00
assi (resi 6 and name HB#) (resi 6 and name HG#)  3.50  3.50  0.00
assi (resi 6 and name HB#) (resi 6 and name HD#)  2.50  2.50 0.00
assi (resi 6 and name HB#) (resi 6 and name HE#)  5.00  5.00 0.00
assi (resi 6 and name HB#) (resi 6 and name HZ#)  6.00  6.00  0.00

assi (resi 6 and name HG#) (resi 6 and name HD#)  3.50  3.50  0.00
assi (resi 6 and name HG#) (resi 6 and name HE#)  3.50  3.50  0.00
assi (resi 6 and name HG#) (resi 6 and name HZ#)  3.50  3.50  0.00

assi (resi 6 and name HD#) (resi 6 and name HE#)  2.50  2.50 0.00
assi (resi 6 and name HD#) (resi 6 and name HZ#)  3.50  3.50  0.00

assi (resi 6 and name HE#) (resi 6 and name HZ#)  3.50  3.50  0.00

! residue 7 THR

assi (resi 7 and name HN) (resi 7 and name HA)  3.50  3.50  0.00
assi (resi 7 and name HN) (resi 7 and name HB)  5.00  5.00  0.00
assi (resi 7 and name HN) (resi 7 and name HG2#)  5.00  5.00  0.00

assi (resi 7 and name HA) (resi 7 and name HB)   2.50  2.50 0.00
assi (resi 7 and name HA) (resi 7 and name HG2#)  3.50  3.50 0.00 

assi (resi 7 and name HB) (resi 7 and name HG2#)  2.50  2.50 0.00


! residue 8 LEU

assi (resi 8 and name HN) (resi 8 and name HA)  3.50  3.50  0.00
assi (resi 8 and name HN) (resi 8 and name HB#)  3.50  3.50  0.00
assi (resi 8 and name HN) (resi 8 and name HD#)  5.00  5.00  0.00

assi (resi 8 and name HA) (resi 8 and name HB#)  2.50  2.50 0.00
assi (resi 8 and name HA) (resi 8 and name HD#)  3.50  3.50 0.00

assi (resi 8 and name HB#) (resi 8 and name HD#)  3.50  3.50  0.00


! residue 9 ASP

assi (resi 9 and name HN) (resi 9 and name HA)  3.50  3.50  0.00
assi (resi 9 and name HN) (resi 9 and name HB#)  5.00  5.00  0.00

assi (resi 9 and name HA) (resi 9 and name HB#)  2.50  2.50 0.00

! residue 10 GLY

assi (resi 10 and name HN) (resi 10 and name HA#)  2.50  2.50 0.00


! residue 11 LYS

assi (resi 11 and name HN) (resi 11 and name HA)   3.50  3.50  0.00
assi (resi 11 and name HN) (resi 11 and name HB#)  3.50  3.50  0.00
assi (resi 11 and name HN) (resi 11 and name HG#)  5.00  5.00  0.00
assi (resi 11 and name HN) (resi 11 and name HD#)  5.00  5.00  0.00
assi (resi 11 and name HN) (resi 11 and name HE#)  6.00  6.00  0.00

assi (resi 11 and name HA) (resi 11 and name HB#)  3.50  3.50  0.00
assi (resi 11 and name HA) (resi 11 and name HG#)  5.00  5.00  0.00 
assi (resi 11 and name HA) (resi 11 and name HD#)  6.00  6.00  0.00

assi (resi 11 and name HB#) (resi 11 and name HG#)  3.50  3.50  0.00
assi (resi 11 and name HB#) (resi 11 and name HD#)  2.50  2.50 0.00
assi (resi 11 and name HB#) (resi 11 and name HE#)  3.50  3.50 0.00  
assi (resi 11 and name HB#) (resi 11 and name HZ#)  6.00  6.00  0.00

assi (resi 11 and name HG#) (resi 11 and name HD#)  3.50  3.50  0.00
assi (resi 11 and name HG#) (resi 11 and name HE#)  2.50  2.50 0.00
assi (resi 11 and name HG#) (resi 11 and name HZ#)  3.50  3.50  0.00

assi (resi 11 and name HD#) (resi 11 and name HE#)  3.50  3.50  0.00
assi (resi 11 and name HD#) (resi 11 and name HZ#)  3.50  3.50  0.00

assi (resi 11 and name HE#) (resi 11 and name HZ#)  2.50  2.50 0.00

! residue 12 THR

assi (resi 12 and name HN) (resi 12 and name HA)  3.50  3.50  0.00
assi (resi 12 and name HN) (resi 12 and name HB)  5.00  5.00  0.00 
assi (resi 12 and name HN) (resi 12 and name HG2#)  3.50  3.50  0.00

assi (resi 12 and name HA) (resi 12 and name HB)  2.50  2.50 0.00
assi (resi 12 and name HA) (resi 12 and name HG2#)  3.50  3.50 0.00

assi (resi 12 and name HB) (resi 12 and name HG2#)  2.50  2.50 0.00


! residue 13 ILE

assi (resi 13 and name HN) (resi 13 and name HA)  3.50  3.50  0.00
assi (resi 13 and name HN) (resi 13 and name HB)  5.00  5.00  0.00
assi (resi 13 and name HN) (resi 13 and name HG1#)  6.00  6.00  0.00 
assi (resi 13 and name HN) (resi 13 and name HG2#)  6.00  6.00  0.00  

assi (resi 13 and name HA) (resi 13 and name HB)    2.50  2.50 0.00
assi (resi 13 and name HA) (resi 13 and name HG1#)  3.50  3.50  0.00
assi (resi 13 and name HA) (resi 13 and name HG2#)  5.00  5.00  0.00
assi (resi 13 and name HA) (resi 13 and name HD1#)  5.00  5.00  0.00

assi (resi 13 and name HB) (resi 13 and name HG1#)  3.50  3.50  0.00
assi (resi 13 and name HB) (resi 13 and name HG2#)  2.50  2.50 0.00
assi (resi 13 and name HB) (resi 13 and name HD1#)  3.50  3.50  0.00

assi (resi 13 and name HG1#) (resi 13 and name HG2#)  3.50  3.50  0.00
assi (resi 13 and name HG1#) (resi 13 and name HD1#)  2.50  2.50 0.00

assi (resi 13 and name HG2#) (resi 13 and name HD1#)  2.50  2.50 0.00


! residue 14 THR

assi (resi 14 and name HN) (resi 14 and name HA)  3.50  3.50  0.00
assi (resi 14 and name HN) (resi 14 and name HB)  5.00  5.00  0.00
assi (resi 14 and name HN) (resi 14 and name HG2#)  3.50  3.50 0.00

assi (resi 14 and name HA) (resi 14 and name HB)  2.50  2.50 0.00
assi (resi 14 and name HA) (resi 14 and name HG2#)  3.50  3.50 0.00

assi (resi 14 and name HB) (resi 14 and name HG2#)  2.50  2.50 0.00


! residue 15 LEU

assi (resi 15 and name HN) (resi 15 and name HA)   3.50  3.50  0.00
assi (resi 15 and name HN) (resi 15 and name HB#)  3.50  3.50  0.00
assi (resi 15 and name HN) (resi 15 and name HD#)  5.00  5.00  0.00 

assi (resi 15 and name HA) (resi 15 and name HB#)  3.50  3.50  0.00
assi (resi 15 and name HA) (resi 15 and name HD#)  3.50  3.50  0.00

assi (resi 15 and name HB#) (resi 15 and name HD#)  3.50  3.50  0.00


! residue 16 GLU

assi (resi 16 and name HN) (resi 16 and name HA)  3.50  3.50  0.00
assi (resi 16 and name HN) (resi 16 and name HB#)  3.50  3.50  0.00
assi (resi 16 and name HN) (resi 16 and name HG#)  5.00  5.00  0.00  

assi (resi 16 and name HA) (resi 16 and name HB#)  2.50  2.50 0.00
assi (resi 16 and name HA) (resi 16 and name HG#)  3.50  3.50  0.00

assi (resi 16 and name HB#) (resi 16 and name HG#)  3.50  3.50  0.00

! residue 17 VAL

assi (resi 17 and name HN) (resi 17 and name HA)  3.50  3.50  0.00
assi (resi 17 and name HN) (resi 17 and name HB)  5.00  5.00  0.00
assi (resi 17 and name HN) (resi 17 and name HG#)  5.00  5.00  0.00

assi (resi 17 and name HA) (resi 17 and name HB)  2.50  2.50 0.00
assi (resi 17 and name HA) (resi 17 and name HG#)  3.50  3.50 0.00 

assi (resi 17 and name HB) (resi 17 and name HG#)  2.50  2.50 0.00

!LIST OF SEQUENTIAL CONSTRAINS FOR THE MUTANT U(1-17)T9D
!TOTAL NUMBER OF NOEs = 72 
!NOE strength    distance range         Xplor syntax
! strong         0.00-2.5 A             2.50 2.50 0.00        
! medium         0.0-3.5 A              3.50 3.50 0.00   
!  weak          0.0-5.0 A              5.00 5.00 0.00
!very weak       0.0-6.0  A             6.00 6.00 0.00



! residue 1 MET

assi (resi 1 and name HA) (resi 2 and name HN)  2.50 2.50 0.00
assi (resi 1 and name HA) (resi 2 and name HB#)  6.00 6.00 0.00

assi (resi 1 and name HB#) (resi 2 and name HN)  5.00 5.00 0.00

assi (resi 1 and name HG#) (resi 2 and name HN)  6.00 6.00 0.00


! residue 2 GLN

assi (resi 2 and name HN) (resi 3 and name HG1#)  6.00 6.00 0.00
 !only with the gH11 at 2.07ppm
assi (resi 2 and name HN) (resi 3 and name HG2#)  6.00 6.00 0.00

assi (resi 2 and name HA) (resi 3 and name HN)  2.50 2.50 0.00

assi (resi 2 and name HB#) (resi 3 and name HN)  6.00 6.00 0.00
assi (resi 2 and name HB#) (resi 3 and name HA)  6.00 6.00 0.00

assi (resi 2 and name HG#) (resi 3 and name HN)  6.00 6.00 0.00
assi (resi 2 and name HG#) (resi 3 and name HA)  6.00 6.00 0.00


! residue 3 ILE

assi (resi 3 and name HN) (resi 4 and name HD#)  6.00 6.00 0.00

assi (resi 3 and name HA) (resi 4 and name HN)  2.50  2.50 0.00

assi (resi 3 and name HB) (resi 4 and name HN)  6.00 6.00 0.00

assi (resi 3 and name HG1#) (resi 4 and name HN)  6.00 6.00 0.00
! the intensity with gCH2 at 1.06ppm is greater, 5.00A

assi (resi 3 and name HD1#) (resi 4 and name HN)  6.00 6.00 0.00 

! residue 4 PHE

assi (resi 4 and name HA) (resi 5 and name HN)  2.50 2.50 0.00

assi (resi 4 and name HB#) (resi 5 and name HN)  6.00 6.00 0.00


! residue 5 VAL

assi (resi 5 and name HA) (resi 6 and name HN)  2.50 2.50 0.00

assi (resi 5 and name HB) (resi 6 and name HN)  5.00 5.00 0.00

assi (resi 5 and name HG#) (resi 6 and name HN)  6.00 6.00 0.00 


! residue 6 LYS

assi (resi 6 and name HA) (resi 7 and name HN)  2.50 2.50 0.00
assi (resi 6 and name HA) (resi 7 and name HG2#)  6.00 6.00 0.00

assi (resi 6 and name HB#) (resi 7 and name HN)  5.00 5.00 0.00

assi (resi 6 and name HG#) (resi 7 and name HN)  6.00 6.00 0.00

assi (resi 6 and name HD#) (resi 7 and name HN)  6.00 6.00 0.00



! residue 7 THR

assi (resi 7 and name HA) (resi 8 and name HN)   5.00 5.00 0.00  
assi (resi 7 and name HA) (resi 8 and name HB)  6.00 6.00 0.00
assi (resi 7 and name HA) (resi 8 and name HD#)  6.00 6.00 0.00

assi (resi 7 and name HB) (resi 8 and name HN)  3.50 3.50 0.00
assi (resi 7 and name HB) (resi 8 and name HD#)  6.00 6.00 0.00 

assi (resi 7 and name HG2#) (resi 8 and name HD#)  6.00 6.00 0.00 


! residue 8 LEU

assi (resi 8 and name HN) (resi 9 and name HN)  3.50 3.50 0.00

assi (resi 8 and name HA) (resi 9 and name HA)  6.00 6.00 0.00

assi (resi 8 and name HB#) (resi 9 and name HN)  6.00 6.00 0.00 

assi (resi 8 and name HD#) (resi 9 and name HB#)  6.00 6.00 0.00 


! residue 9 ASP

assi (resi 9 and name HN) (resi 10 and name HN)  2.50 2.50 0.00
assi (resi 9 and name HN) (resi 10 and name HA#) 6.00 6.00 0.00

assi (resi 9 and name HA) (resi 10 and name HN)  5.00 5.00 0.00

assi (resi 9 and name HB#) (resi 10 and name HN)  6.00 6.00 0.00


! residue 10 GLY

assi (resi 10 and name HN) (resi 11 and name HN)  2.50  2.50 0.00
assi (resi 10 and name HN) (resi 11 and name HB#)  6.00 6.00 0.00
assi (resi 10 and name HN) (resi 11 and name HD#)  5.00 5.00 0.00
assi (resi 10 and name HN) (resi 11 and name HE#)  6.00 6.00 0.00

assi (resi 10 and name HA#) (resi 11 and name HN)  5.00 5.00 0.00
assi (resi 10 and name HA#) (resi 11 and name HB#)  5.00 5.00 0.00

! residue 11 LYS


assi (resi 11 and name HA) (resi 12 and name HN)  2.50 2.50 0.00
assi (resi 11 and name HA) (resi 12 and name HB)  6.00 6.00 0.00

assi (resi 11 and name HB#) (resi 12 and name HN)  6.00 6.00 0.00


! residue 12 THR

assi (resi 12 and name HA) (resi 13 and name HN)  2.50 2.50 0.00
assi (resi 12 and name HA) (resi 13 and name HG2#)  6.00 6.00 0.00
assi (resi 12 and name HA) (resi 13 and name HD1#)  6.00 6.00 0.00

assi (resi 12 and name HB) (resi 13 and name HN)  6.00 6.00 0.00

assi (resi 12 and name HG2#) (resi 13 and name HN)  6.00 6.00 0.00



! residue 13 ILE

assi (resi 13 and name HA) (resi 14 and name HN)  2.50 2.50 0.00

assi (resi 13 and name HB) (resi 14 and name HN)  6.00 6.00 0.00

assi (resi 13 and name HG1#) (resi 14 and name HN)  6.00 6.00 0.00


! residue 14 THR


assi (resi 14 and name HA) (resi 15 and name HN)  2.50 2.50 0.00
assi (resi 14 and name HA) (resi 15 and name HB#)  6.00 6.00 0.00
assi (resi 14 and name HA) (resi 15 and name HD#)  6.00 6.00 0.00

assi (resi 14 and name HB) (resi 15 and name HN)  5.00 5.00 0.00

assi (resi 14 and name HG2#) (resi 15 and name HN)  6.00 6.00 0.00
assi (resi 14 and name HG2#) (resi 15 and name HA)  6.00 6.00 0.00


! residue 15 LEU

assi (resi 15 and name HA) (resi 16 and name HN)  2.50 2.50 0.00
assi (resi 15 and name HA) (resi 16 and name HG#)  6.00  6.00  0.00

assi (resi 15 and name HB#) (resi 16 and name HN)  5.00 5.00 0.00

assi (resi 15 and name HD#) (resi 16 and name HN)  6.00 6.00 0.00

! residue 16 GLU

assi (resi 16 and name HA) (resi 17 and name HN)  2.50 2.50 0.00
assi (resi 16 and name HA) (resi 17 and name HG#)  6.00 6.00 0.00

assi (resi 16 and name HB#) (resi 17 and name HN)  5.00 5.00 0.00

assi (resi 16 and name HG#) (resi 17 and name HN)  3.50 3.50 0.00
assi (resi 16 and name HG#) (resi 17 and name HA)  6.00 6.00 0.00

! residue 17 VAL


!LIST OF LONG RANGE CONSTRAINS FOR THE MUTANT U(1-17)T9D
!TOTAL NUMBER OF NOE = 105

!NOE strength    distance range         Xplor syntax
! strong         0.00-2.5 A             2.50 2.50 0.00        
! medium         0.0-3.5 A              3.50 3.50 0.00   
!  weak          0.0-5.0 A              5.00 5.00 0.00
!very weak       0.0-6.0  A             6.00  6.00 0.00


! residue 1 MET

assi (resi 1 and name HB#) (resi 3 and name HG2#)  5.00 5.00 0.00
assi (resi 1 and name HB#) (resi 3 and name HD1#)  5.00 5.00 0.00
assi (resi 1 and name HB#) (resi 17 and name HG#)  5.00 5.00 0.00

assi (resi 1 and name HG#) (resi 3 and name HG2#)  5.00 5.00 0.00
assi (resi 1 and name HG#) (resi 3 and name HD1#)  5.00 5.00 0.00
assi (resi 1 and name HG#) (resi 17 and name HG#)  5.00 5.00 0.00

! residue 2 GLN

assi (resi 2 and name HA) (resi 16 and name HG#)  5.00 5.00 0.00

assi (resi 2 and name HB#) (resi 4 and name HD#)  5.00 5.00 0.00
assi (resi 2 and name HB#) (resi 4 and name HE#)  5.00 5.00 0.00
assi (resi 2 and name HB#) (resi 14 and name HB)  5.00 5.00 0.00
assi (resi 2 and name HB#) (resi 14 and name HG2#)  5.00 5.00 0.00 
assi (resi 2 and name HB#) (resi 16 and name HA)   6.00  6.00 0.00
assi (resi 2 and name HB#) (resi 16 and name HG#)  6.00  6.00 0.00

assi (resi 2 and name HG#) (resi 4 and name HD#)  5.00 5.00 0.00
assi (resi 2 and name HG#) (resi 4 and name HE#)  6.00 6.00 0.00  
assi (resi 2 and name HG#) (resi 14 and name HB)  5.00 5.00 0.00
assi (resi 2 and name HG#) (resi 14 and name HG2#)  3.50 3.50 0.00
assi (resi 2 and name HG#) (resi 16 and name HG#)  5.00 5.00 0.00

assi (resi 2 and name HE2#) (resi 4 and name HD#)  6.00  6.00 0.00
assi (resi 2 and name HE2#) (resi 4 and name HE#)  6.00  6.00 0.00
assi (resi 2 and name HE2#) (resi 4 and name HZ)  6.00  6.00 0.00
assi (resi 2 and name HE2#) (resi 14 and name HG2#)  3.50 3.50 0.00
assi (resi 2 and name HE2#) (resi 16 and name HG#)  6.00  6.00 0.00


! residue 3 ILE 

assi (resi 3 and name HN) (resi 15 and name HN)  5.00 5.00 0.00
assi (resi 3 and name HN) (resi 15 and name HB#)  6.00  6.00 0.00

assi (resi 3 and name HB) (resi 15 and name HB#)  5.00 5.00 0.00

assi (resi 3 and name HG1#) (resi 15 and name HB#)  5.00 5.00 0.00



! residue 4 PHE  

assi (resi 4 and name HA) (resi 14 and name HA)  3.50  3.50  0.00
assi (resi 4 and name HA) (resi 14 and name HB)  5.00 5.00 0.00
assi (resi 4 and name HA) (resi 14 and name HG2#) 6.00 6.00 0.00  
assi (resi 4 and name HA) (resi 15 and name HB#)  6.00  6.00 0.00

assi (resi 4 and name HB#) (resi 12 and name HG2#)  6.00  6.00  0.00   
assi (resi 4 and name HB#) (resi 14 and name HA)  6.00  6.00 0.00
assi (resi 4 and name HB#) (resi 14 and name HB)  6.00 6.00 0.00 
assi (resi 4 and name HB#) (resi 14 and name HG2#)  5.00 5.00 0.00

assi (resi 4 and name HD#) (resi 6 and name HD#)  6.00  6.00 0.00
assi (resi 4 and name HD#) (resi 12 and name HG2#)  5.00 5.00 0.00 
assi (resi 4 and name HD#) (resi 14 and name HN)  6.00  6.00 0.00
assi (resi 4 and name HD#) (resi 14 and name HA)  5.00 5.00 0.00
assi (resi 4 and name HD#) (resi 14 and name HB)  5.00 5.00 0.00  
assi (resi 4 and name HD#) (resi 14 and name HG2#)  3.50  3.50  0.00  
assi (resi 4 and name HD#) (resi 15 and name HN)  6.00  6.00 0.00
assi (resi 4 and name HD#) (resi 16 and name HG#)  6.00  6.00 0.00

assi (resi 4 and name HE#) (resi 6 and name HD#)  6.00  6.00 0.00
assi (resi 4 and name HE#) (resi 12 and name HG2#) 5.00 5.00 0.00  
assi (resi 4 and name HE#) (resi 14 and name HA)  6.00 6.00 0.00
assi (resi 4 and name HE#) (resi 14 and name HB)  5.00 5.00 0.00  
assi (resi 4 and name HE#) (resi 14 and name HG2#) 3.50  3.50  0.00  
assi (resi 4 and name HE#) (resi 15 and name HN)  6.00  6.00 0.00
assi (resi 4 and name HE#) (resi 16 and name HG#)  6.00 6.00 0.00

assi (resi 4 and name HZ) (resi 14 and name HB)    6.00 6.00 0.00
assi (resi 4 and name HZ) (resi 14 and name HG2#)  3.50 3.50 0.00

! residue 5 VAL 

assi (resi 5 and name HN) (resi 13 and name HN)  5.00  5.00 0.00
assi (resi 5 and name HN) (resi 13 and name HG1#)  6.00  6.00 0.00
!this NOE is only with gCH2 at 1.14ppm

assi (resi 5 and name HB) (resi 13 and name HG1#)  6.00  6.00 0.00

assi (resi 5 and name HG#) (resi 7 and name HG2#)  6.00 6.00 0.00  


! residue 6 LYS 

assi (resi 6 and name HN) (resi 12 and name HG2#)  6.00  6.00 0.00

assi (resi 6 and name HA) (resi 12 and name HA)    3.50 3.50 0.00 
assi (resi 6 and name HA) (resi 12 and name HG2#)  3.50 3.50 0.00 
assi (resi 6 and name HA) (resi 13 and name HN)    5.00  5.00 0.00 

assi (resi 6 and name HB#) (resi 12 and name HA)  5.00 5.00 0.00
assi (resi 6 and name HB#) (resi 12 and name HG2#)  6.00 6.00 0.00

assi (resi 6 and name HG#) (resi 8 and name HA)   6.00 6.00 0.00 
assi (resi 6 and name HG#) (resi 12 and name HA)  5.00 5.00 0.00
assi (resi 6 and name HG#) (resi 12 and name HB)  6.00 6.00 0.00 
assi (resi 6 and name HG#) (resi 12 and name HG2#)  3.50 3.50 0.00  

assi (resi 6 and name HD#) (resi 12 and name HA)   5.00 5.00 0.00
assi (resi 6 and name HD#) (resi 12 and name HB)   5.00 5.00 0.00
assi (resi 6 and name HD#) (resi 12 and name HG2#)  5.00 5.00 0.00

assi (resi 6 and name HE#) (resi 8 and name HD#)  6.00 6.00 0.00
assi (resi 6 and name HE#) (resi 12 and name HG2#)  3.50 3.50 0.00 

! residue 7 THR

assi (resi 7 and name HN) (resi 9 and name HN)  6.00  6.00 0.00
assi (resi 7 and name HN) (resi 11 and name HN)  6.00  6.00 0.00
assi (resi 7 and name HN) (resi 12 and name HA)  6.00  6.00 0.00
assi (resi 7 and name HN) (resi 13 and name HN)  6.00  6.00 0.00

assi (resi 7 and name HB) (resi 11 and name HB#)  6.00  6.00 0.00
assi (resi 7 and name HB) (resi 11 and name HD#)  5.00 5.00 0.00
assi (resi 7 and name HB) (resi 11 and name HE#)  6.00  6.00 0.00

assi (resi 7 and name HG2#) (resi 10 and name HN)  6.00  6.00 0.00
assi (resi 7 and name HG2#) (resi 11 and name HN)  6.00  6.00 0.00
assi (resi 7 and name HG2#) (resi 11 and name HB#)  5.00 5.00 0.00
assi (resi 7 and name HG2#) (resi 11 and name HG#)  5.00 5.00 0.00
assi (resi 7 and name HG2#) (resi 11 and name HD#)  5.00 5.00 0.00
assi (resi 7 and name HG2#) (resi 11 and name HE#)  5.00 5.00 0.00
assi (resi 7 and name HG2#) (resi 12 and name HA)  6.00  6.00 0.00


! residue 8 LEU

assi (resi 8 and name HA) (resi 10 and name HN)  6.00  6.00 0.00

assi (resi 8 and name HD#) (resi 10 and name HN)  6.00  6.00 0.00
!this NOE is seen only fot dCH3 at 0.88 ppm


! residue 9 ASP

assi (resi 9 and name HN) (resi 11 and name HN)  5.00 5.00 0.00

assi (resi 9 and name HA) (resi 11 and name HN)  6.00  6.00 0.00

assi (resi 9 and name HB#) (resi 11 and name HB#)  6.00  6.00 0.00
assi (resi 9 and name HB#) (resi 11 and name HG#)  6.00  6.00 0.00
assi (resi 9 and name HB#) (resi 11 and name HD#)  5.00 5.00 0.00
assi (resi 9 and name HB#) (resi 11 and name HE#)  6.00  6.00 0.00


! residue 10 GLY


! residue 11 LYS

assi (resi 11 and name HE#) (resi 13 and name HG2#)  6.00  6.00 0.00
assi (resi 11 and name HE#) (resi 13 and name HD1#)  6.00  6.00 0.00

assi (resi 11 and name HZ#) (resi 13 and name HG1#)  6.00  6.00 0.00
! this is seen only for gCH2 at 1.14ppm
assi (resi 11 and name HZ#) (resi 13 and name HG2#)  6.00  6.00 0.00


! residue 12 THR



! residue 13 ILE

assi (resi 13 and name HG1#) (resi 15 and name HB#)  6.00  6.00 0.00



! residue 14 THR


assi (resi 14 and name HB) (resi 16 and name HG#)  6.00 6.00 0.00  

assi (resi 14 and name HG2#) (resi 16 and name HA)  6.00 6.00 0.00
assi (resi 14 and name HG2#) (resi 16 and name HB#)  5.00 5.00 0.00
assi (resi 14 and name HG2#) (resi 16 and name HG#)  5.00 5.00 0.00

! residue 15 LEU


! residue 16 GLU



! residue 17 VAL














  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1 -14.044   0.236  -0.523
    2    H2   MET   1           H2       MET   1 -15.186   1.479  -0.639
    3    H3   MET   1           H3       MET   1 -14.434   0.885  -2.035
    4    HA   MET   1           HA       MET   1 -13.359   2.861  -1.656
    5   1HB   MET   1          1HB       MET   1 -12.351   3.466   0.631
    6   2HB   MET   1          2HB       MET   1 -14.085   3.617   0.462
    7   1HG   MET   1          1HG       MET   1 -12.996   1.125   1.719
    8   2HG   MET   1          2HG       MET   1 -12.956   2.624   2.645
    9   1HE   MET   1          1HE       MET   1 -14.978   4.084   3.111
   10   2HE   MET   1          2HE       MET   1 -16.478   3.328   3.652
   11   3HE   MET   1          3HE       MET   1 -14.947   2.899   4.419
   12    H    GLN   2           H        GLN   2 -11.297   3.174  -2.226
   13    HA   GLN   2           HA       GLN   2  -9.266   1.110  -1.685
   14   1HB   GLN   2          1HB       GLN   2 -10.140   2.226  -4.317
   15   2HB   GLN   2          2HB       GLN   2  -8.418   1.951  -4.098
   16   1HG   GLN   2          1HG       GLN   2  -8.664  -0.339  -3.923
   17   2HG   GLN   2          2HG       GLN   2 -10.364  -0.226  -3.468
   18   2HE2  GLN   2          2HE2      GLN   2  -8.081  -0.258  -6.141
   19   1HE2  GLN   2          1HE2      GLN   2  -9.265  -0.428  -7.388
   20    H    ILE   3           H        ILE   3  -7.400   1.766  -0.903
   21    HA   ILE   3           HA       ILE   3  -6.309   4.433  -1.248
   22    HB   ILE   3           HB       ILE   3  -5.768   4.631   1.298
   23   1HG1  ILE   3          2HG1      ILE   3  -8.355   3.705   2.277
   24   2HG1  ILE   3          1HG1      ILE   3  -7.537   2.353   1.514
   25   1HG2  ILE   3          1HG2      ILE   3  -8.457   5.297   0.130
   26   2HG2  ILE   3          2HG2      ILE   3  -7.883   5.936   1.670
   27   3HG2  ILE   3          3HG2      ILE   3  -7.005   6.298   0.182
   28   1HD1  ILE   3          1HD1      ILE   3  -6.054   4.008   3.494
   29   2HD1  ILE   3          2HD1      ILE   3  -7.248   2.834   4.050
   30   3HD1  ILE   3          3HD1      ILE   3  -5.872   2.302   3.083
   31    H    PHE   4           H        PHE   4  -4.296   4.352  -1.743
   32    HA   PHE   4           HA       PHE   4  -2.717   1.907  -1.504
   33   1HB   PHE   4          1HB       PHE   4  -2.762   4.292  -3.259
   34   2HB   PHE   4          2HB       PHE   4  -1.165   3.651  -2.942
   35    HD1  PHE   4           HD1      PHE   4  -4.623   2.774  -4.508
   36    HD2  PHE   4           HD2      PHE   4  -0.265   1.683  -4.122
   37    HE1  PHE   4           HE1      PHE   4  -4.861   1.124  -6.483
   38    HE2  PHE   4           HE2      PHE   4  -0.517   0.026  -6.097
   39    HZ   PHE   4           HZ       PHE   4  -2.807  -0.248  -7.288
   40    H    VAL   5           H        VAL   5  -0.694   1.661  -0.617
   41    HA   VAL   5           HA       VAL   5   0.627   3.806   0.863
   42    HB   VAL   5           HB       VAL   5   1.100   2.217   2.861
   43   1HG1  VAL   5          1HG1      VAL   5  -0.135   4.253   3.096
   44   2HG1  VAL   5          2HG1      VAL   5  -1.615   3.466   2.550
   45   3HG1  VAL   5          3HG1      VAL   5  -0.879   2.994   4.083
   46   1HG2  VAL   5          1HG2      VAL   5  -1.491   0.874   2.003
   47   2HG2  VAL   5          2HG2      VAL   5   0.092   0.103   2.104
   48   3HG2  VAL   5          3HG2      VAL   5  -0.706   0.679   3.570
   49    H    LYS   6           H        LYS   6   2.779   3.831   0.771
   50    HA   LYS   6           HA       LYS   6   4.286   1.512  -0.272
   51   1HB   LYS   6          1HB       LYS   6   3.758   3.757  -1.752
   52   2HB   LYS   6          2HB       LYS   6   5.299   4.193  -1.033
   53   1HG   LYS   6          1HG       LYS   6   6.399   2.348  -2.048
   54   2HG   LYS   6          2HG       LYS   6   4.870   1.618  -2.539
   55   1HD   LYS   6          1HD       LYS   6   4.541   3.132  -4.266
   56   2HD   LYS   6          2HD       LYS   6   5.587   4.356  -3.542
   57   1HE   LYS   6          1HE       LYS   6   7.547   3.173  -4.162
   58   2HE   LYS   6          2HE       LYS   6   6.624   1.736  -4.601
   59   1HZ   LYS   6          1HZ       LYS   6   6.460   4.351  -5.999
   60   2HZ   LYS   6          2HZ       LYS   6   7.349   3.016  -6.541
   61   3HZ   LYS   6          3HZ       LYS   6   5.662   2.927  -6.445
   62    H    THR   7           H        THR   7   6.355   1.149   0.456
   63    HA   THR   7           HA       THR   7   7.398   2.686   2.772
   64    HB   THR   7           HB       THR   7   8.597   0.482   3.383
   65    HG1  THR   7           HG1      THR   7   6.552  -0.568   1.708
   66   1HG2  THR   7          1HG2      THR   7   5.638   0.868   3.751
   67   2HG2  THR   7          2HG2      THR   7   6.504  -0.477   4.496
   68   3HG2  THR   7          3HG2      THR   7   6.943   1.186   4.894
   69    H    LEU   8           H        LEU   8   9.615   3.082   2.965
   70    HA   LEU   8           HA       LEU   8  11.166   3.506   0.594
   71   1HB   LEU   8          1HB       LEU   8  11.540   3.985   3.513
   72   2HB   LEU   8          2HB       LEU   8  12.966   4.032   2.499
   73    HG   LEU   8           HG       LEU   8  10.920   5.638   1.232
   74   1HD1  LEU   8          1HD1      LEU   8   9.955   5.804   3.510
   75   2HD1  LEU   8          2HD1      LEU   8  11.466   6.536   4.052
   76   3HD1  LEU   8          3HD1      LEU   8  10.479   7.346   2.836
   77   1HD2  LEU   8          1HD2      LEU   8  13.540   6.376   2.530
   78   2HD2  LEU   8          2HD2      LEU   8  13.258   6.003   0.830
   79   3HD2  LEU   8          3HD2      LEU   8  12.567   7.463   1.539
   80    H    ASP   9           H        ASP   9  10.965   0.725   2.658
   81    HA   ASP   9           HA       ASP   9  13.575  -0.447   2.370
   82   1HB   ASP   9          1HB       ASP   9  11.004  -1.251   3.593
   83   2HB   ASP   9          2HB       ASP   9  12.012  -2.580   3.034
   84    H    GLY  10           H        GLY  10  10.496  -0.855   0.566
   85   1HA   GLY  10          2HA       GLY  10  11.819  -2.591  -1.454
   86   2HA   GLY  10          1HA       GLY  10  10.760  -1.265  -1.892
   87    H    LYS  11           H        LYS  11   8.510  -1.433  -0.593
   88    HA   LYS  11           HA       LYS  11   7.278  -4.012  -1.310
   89   1HB   LYS  11          1HB       LYS  11   7.163  -2.718   1.399
   90   2HB   LYS  11          2HB       LYS  11   5.756  -3.588   0.819
   91   1HG   LYS  11          1HG       LYS  11   7.025  -5.628   0.665
   92   2HG   LYS  11          2HG       LYS  11   8.511  -4.772   1.089
   93   1HD   LYS  11          1HD       LYS  11   7.329  -4.103   3.246
   94   2HD   LYS  11          2HD       LYS  11   6.100  -5.297   2.820
   95   1HE   LYS  11          1HE       LYS  11   8.016  -6.960   2.637
   96   2HE   LYS  11          2HE       LYS  11   9.006  -5.733   3.431
   97   1HZ   LYS  11          1HZ       LYS  11   7.423  -5.753   5.284
   98   2HZ   LYS  11          2HZ       LYS  11   6.553  -6.993   4.531
   99   3HZ   LYS  11          3HZ       LYS  11   8.140  -7.267   5.049
  100    H    THR  12           H        THR  12   5.196  -3.935  -2.111
  101    HA   THR  12           HA       THR  12   3.621  -1.471  -2.135
  102    HB   THR  12           HB       THR  12   3.073  -1.876  -4.650
  103    HG1  THR  12           HG1      THR  12   4.181  -3.436  -5.532
  104   1HG2  THR  12          1HG2      THR  12   4.396   0.060  -3.622
  105   2HG2  THR  12          2HG2      THR  12   5.836  -0.782  -4.194
  106   3HG2  THR  12          3HG2      THR  12   4.612  -0.245  -5.345
  107    H    ILE  13           H        ILE  13   1.707  -1.918  -1.389
  108    HA   ILE  13           HA       ILE  13   0.031  -4.132  -2.223
  109    HB   ILE  13           HB       ILE  13  -0.586  -4.752   0.237
  110   1HG1  ILE  13          1HG1      ILE  13   2.177  -4.738   1.242
  111   2HG1  ILE  13          2HG1      ILE  13   1.652  -3.094   0.924
  112   1HG2  ILE  13          1HG2      ILE  13   1.881  -5.842  -1.096
  113   2HG2  ILE  13          2HG2      ILE  13   1.015  -6.637   0.221
  114   3HG2  ILE  13          3HG2      ILE  13   0.211  -6.361  -1.326
  115   1HD1  ILE  13          1HD1      ILE  13   0.063  -5.011   2.605
  116   2HD1  ILE  13          2HD1      ILE  13   1.307  -3.948   3.265
  117   3HD1  ILE  13          3HD1      ILE  13  -0.119  -3.259   2.484
  118    H    THR  14           H        THR  14  -2.149  -3.808  -2.044
  119    HA   THR  14           HA       THR  14  -3.102  -1.109  -1.505
  120    HB   THR  14           HB       THR  14  -5.375  -2.051  -2.240
  121    HG1  THR  14           HG1      THR  14  -5.411  -4.155  -2.430
  122   1HG2  THR  14          1HG2      THR  14  -3.550  -0.858  -3.707
  123   2HG2  THR  14          2HG2      THR  14  -3.505  -2.433  -4.503
  124   3HG2  THR  14          3HG2      THR  14  -5.023  -1.536  -4.405
  125    H    LEU  15           H        LEU  15  -4.595  -0.415  -0.029
  126    HA   LEU  15           HA       LEU  15  -5.328  -2.196   2.197
  127   1HB   LEU  15          1HB       LEU  15  -3.871   0.162   2.338
  128   2HB   LEU  15          2HB       LEU  15  -5.488   0.707   2.724
  129    HG   LEU  15           HG       LEU  15  -4.925  -1.685   4.271
  130   1HD1  LEU  15          1HD1      LEU  15  -2.871   0.492   4.615
  131   2HD1  LEU  15          2HD1      LEU  15  -3.114  -0.882   5.693
  132   3HD1  LEU  15          3HD1      LEU  15  -2.570  -1.148   4.038
  133   1HD2  LEU  15          1HD2      LEU  15  -5.350   1.186   5.101
  134   2HD2  LEU  15          2HD2      LEU  15  -6.584  -0.064   4.943
  135   3HD2  LEU  15          3HD2      LEU  15  -5.350  -0.199   6.195
  136    H    GLU  16           H        GLU  16  -7.258  -2.969   1.836
  137    HA   GLU  16           HA       GLU  16  -9.513  -1.254   0.995
  138   1HB   GLU  16          1HB       GLU  16  -8.559  -3.853  -0.127
  139   2HB   GLU  16          2HB       GLU  16 -10.297  -3.602  -0.050
  140   1HG   GLU  16          1HG       GLU  16  -9.781  -1.358  -1.247
  141   2HG   GLU  16          2HG       GLU  16  -8.236  -2.109  -1.639
  142    H    VAL  17           H        VAL  17 -11.534  -1.593   1.884
  143    HA   VAL  17           HA       VAL  17 -11.943  -3.661   3.936
  144    HB   VAL  17           HB       VAL  17 -13.275  -1.969   5.371
  145   1HG1  VAL  17          1HG1      VAL  17 -11.201  -3.069   6.048
  146   2HG1  VAL  17          2HG1      VAL  17 -10.280  -1.724   5.375
  147   3HG1  VAL  17          3HG1      VAL  17 -11.369  -1.454   6.735
  148   1HG2  VAL  17          1HG2      VAL  17 -13.089   0.015   3.758
  149   2HG2  VAL  17          2HG2      VAL  17 -12.707   0.345   5.449
  150   3HG2  VAL  17          3HG2      VAL  17 -11.408   0.152   4.274

  No H/Q in entry =         150
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1 -14.146   0.229  -1.913
    2    H2   MET   1           H2       MET   1 -13.942  -0.098  -0.266
    3    H3   MET   1           H3       MET   1 -15.098   1.032  -0.766
    4    HA   MET   1           HA       MET   1 -13.393   2.494  -1.592
    5   1HB   MET   1          1HB       MET   1 -14.100   2.026   1.028
    6   2HB   MET   1          2HB       MET   1 -12.349   1.956   1.126
    7   1HG   MET   1          1HG       MET   1 -12.088   4.175   0.637
    8   2HG   MET   1          2HG       MET   1 -13.593   4.268  -0.279
    9   1HE   MET   1          1HE       MET   1 -11.834   4.092   3.021
   10   2HE   MET   1          2HE       MET   1 -12.127   5.826   2.886
   11   3HE   MET   1          3HE       MET   1 -12.908   4.899   4.168
   12    H    GLN   2           H        GLN   2 -11.297   3.012  -2.109
   13    HA   GLN   2           HA       GLN   2  -9.134   1.048  -1.771
   14   1HB   GLN   2          1HB       GLN   2 -10.146   2.203  -4.341
   15   2HB   GLN   2          2HB       GLN   2  -8.408   2.016  -4.168
   16   1HG   GLN   2          1HG       GLN   2  -8.542  -0.303  -4.020
   17   2HG   GLN   2          2HG       GLN   2 -10.259  -0.273  -3.624
   18   2HE2  GLN   2          2HE2      GLN   2  -7.885  -0.134  -6.211
   19   1HE2  GLN   2          1HE2      GLN   2  -9.015  -0.305  -7.505
   20    H    ILE   3           H        ILE   3  -7.311   1.808  -0.994
   21    HA   ILE   3           HA       ILE   3  -6.354   4.519  -1.315
   22    HB   ILE   3           HB       ILE   3  -5.839   4.753   1.240
   23   1HG1  ILE   3          2HG1      ILE   3  -8.410   3.785   2.206
   24   2HG1  ILE   3          1HG1      ILE   3  -7.574   2.442   1.447
   25   1HG2  ILE   3          1HG2      ILE   3  -7.268   6.208  -0.199
   26   2HG2  ILE   3          2HG2      ILE   3  -8.669   5.309   0.384
   27   3HG2  ILE   3          3HG2      ILE   3  -7.674   6.226   1.517
   28   1HD1  ILE   3          1HD1      ILE   3  -6.137   4.125   3.444
   29   2HD1  ILE   3          2HD1      ILE   3  -7.293   2.904   3.975
   30   3HD1  ILE   3          3HD1      ILE   3  -5.894   2.433   3.012
   31    H    PHE   4           H        PHE   4  -4.325   4.526  -1.761
   32    HA   PHE   4           HA       PHE   4  -2.669   2.139  -1.505
   33   1HB   PHE   4          1HB       PHE   4  -2.744   4.540  -3.238
   34   2HB   PHE   4          2HB       PHE   4  -1.138   3.938  -2.893
   35    HD1  PHE   4           HD1      PHE   4  -4.539   2.987  -4.538
   36    HD2  PHE   4           HD2      PHE   4  -0.164   2.001  -4.070
   37    HE1  PHE   4           HE1      PHE   4  -4.697   1.338  -6.522
   38    HE2  PHE   4           HE2      PHE   4  -0.335   0.347  -6.055
   39    HZ   PHE   4           HZ       PHE   4  -2.594   0.022  -7.292
   40    H    VAL   5           H        VAL   5  -0.697   1.921  -0.548
   41    HA   VAL   5           HA       VAL   5   0.642   4.062   0.895
   42    HB   VAL   5           HB       VAL   5   0.942   2.597   3.021
   43   1HG1  VAL   5          1HG1      VAL   5  -0.310   4.753   2.806
   44   2HG1  VAL   5          2HG1      VAL   5  -1.789   3.795   2.708
   45   3HG1  VAL   5          3HG1      VAL   5  -0.782   3.719   4.154
   46   1HG2  VAL   5          1HG2      VAL   5  -0.280   0.527   2.178
   47   2HG2  VAL   5          2HG2      VAL   5  -0.784   1.109   3.766
   48   3HG2  VAL   5          3HG2      VAL   5  -1.780   1.437   2.349
   49    H    LYS   6           H        LYS   6   2.801   3.935   0.928
   50    HA   LYS   6           HA       LYS   6   4.155   1.490  -0.042
   51   1HB   LYS   6          1HB       LYS   6   4.014   3.908  -1.349
   52   2HB   LYS   6          2HB       LYS   6   5.547   4.055  -0.507
   53   1HG   LYS   6          1HG       LYS   6   6.504   2.265  -1.666
   54   2HG   LYS   6          2HG       LYS   6   4.938   1.627  -2.166
   55   1HD   LYS   6          1HD       LYS   6   4.660   3.266  -3.818
   56   2HD   LYS   6          2HD       LYS   6   5.882   4.325  -3.107
   57   1HE   LYS   6          1HE       LYS   6   7.648   2.930  -3.852
   58   2HE   LYS   6          2HE       LYS   6   6.537   1.627  -4.272
   59   1HZ   LYS   6          1HZ       LYS   6   6.582   4.278  -5.609
   60   2HZ   LYS   6          2HZ       LYS   6   7.358   2.898  -6.205
   61   3HZ   LYS   6          3HZ       LYS   6   5.673   2.926  -6.066
   62    H    THR   7           H        THR   7   6.044   0.813   0.860
   63    HA   THR   7           HA       THR   7   6.717   1.611   3.584
   64    HB   THR   7           HB       THR   7   8.401  -0.339   3.373
   65    HG1  THR   7           HG1      THR   7   8.580  -1.003   1.384
   66   1HG2  THR   7          1HG2      THR   7   6.257  -0.511   4.602
   67   2HG2  THR   7          2HG2      THR   7   5.470  -1.028   3.110
   68   3HG2  THR   7          3HG2      THR   7   6.726  -2.030   3.838
   69    H    LEU   8           H        LEU   8   8.235   1.747   0.361
   70    HA   LEU   8           HA       LEU   8   9.889   2.920  -0.636
   71   1HB   LEU   8          1HB       LEU   8  10.333   4.245   2.054
   72   2HB   LEU   8          2HB       LEU   8  11.411   4.542   0.707
   73    HG   LEU   8           HG       LEU   8   8.653   4.930  -0.154
   74   1HD1  LEU   8          1HD1      LEU   8   8.353   5.433   2.294
   75   2HD1  LEU   8          2HD1      LEU   8   9.443   6.799   2.064
   76   3HD1  LEU   8          3HD1      LEU   8   7.919   6.730   1.180
   77   1HD2  LEU   8          1HD2      LEU   8  10.972   6.850   0.078
   78   2HD2  LEU   8          2HD2      LEU   8  10.539   5.887  -1.335
   79   3HD2  LEU   8          3HD2      LEU   8   9.464   7.169  -0.778
   80    H    ASP   9           H        ASP   9  10.521   0.739   1.951
   81    HA   ASP   9           HA       ASP   9  13.366   0.365   1.708
   82   1HB   ASP   9          1HB       ASP   9  11.487  -0.361   3.595
   83   2HB   ASP   9          2HB       ASP   9  11.881  -1.902   2.842
   84    H    GLY  10           H        GLY  10  10.504  -1.290   0.297
   85   1HA   GLY  10          2HA       GLY  10  12.101  -3.288  -1.156
   86   2HA   GLY  10          1HA       GLY  10  11.261  -2.090  -2.118
   87    H    LYS  11           H        LYS  11   8.814  -1.893  -0.657
   88    HA   LYS  11           HA       LYS  11   7.410  -4.348  -1.451
   89   1HB   LYS  11          1HB       LYS  11   7.461  -3.275   1.357
   90   2HB   LYS  11          2HB       LYS  11   5.973  -3.988   0.757
   91   1HG   LYS  11          1HG       LYS  11   7.050  -6.096   0.404
   92   2HG   LYS  11          2HG       LYS  11   8.630  -5.401   0.785
   93   1HD   LYS  11          1HD       LYS  11   7.740  -4.844   3.057
   94   2HD   LYS  11          2HD       LYS  11   6.290  -5.763   2.652
   95   1HE   LYS  11          1HE       LYS  11   7.736  -7.735   2.231
   96   2HE   LYS  11          2HE       LYS  11   9.112  -6.795   2.806
   97   1HZ   LYS  11          1HZ       LYS  11   6.689  -7.429   4.401
   98   2HZ   LYS  11          2HZ       LYS  11   8.178  -8.220   4.537
   99   3HZ   LYS  11          3HZ       LYS  11   8.050  -6.585   4.949
  100    H    THR  12           H        THR  12   5.307  -4.089  -2.161
  101    HA   THR  12           HA       THR  12   3.874  -1.545  -1.954
  102    HB   THR  12           HB       THR  12   3.243  -1.727  -4.476
  103    HG1  THR  12           HG1      THR  12   4.326  -3.103  -5.645
  104   1HG2  THR  12          1HG2      THR  12   4.668   0.067  -3.367
  105   2HG2  THR  12          2HG2      THR  12   6.067  -0.814  -3.982
  106   3HG2  THR  12          3HG2      THR  12   4.880  -0.148  -5.105
  107    H    ILE  13           H        ILE  13   1.890  -1.917  -1.305
  108    HA   ILE  13           HA       ILE  13   0.154  -4.037  -2.250
  109    HB   ILE  13           HB       ILE  13  -0.528  -4.722   0.183
  110   1HG1  ILE  13          1HG1      ILE  13   2.240  -4.856   1.190
  111   2HG1  ILE  13          2HG1      ILE  13   1.757  -3.185   0.959
  112   1HG2  ILE  13          1HG2      ILE  13   1.895  -5.869  -1.187
  113   2HG2  ILE  13          2HG2      ILE  13   0.997  -6.676   0.100
  114   3HG2  ILE  13          3HG2      ILE  13   0.203  -6.308  -1.431
  115   1HD1  ILE  13          1HD1      ILE  13   0.098  -5.132   2.530
  116   2HD1  ILE  13          2HD1      ILE  13   1.394  -4.179   3.254
  117   3HD1  ILE  13          3HD1      ILE  13   0.003  -3.370   2.524
  118    H    THR  14           H        THR  14  -2.011  -3.655  -2.099
  119    HA   THR  14           HA       THR  14  -2.904  -0.951  -1.495
  120    HB   THR  14           HB       THR  14  -5.196  -1.832  -2.268
  121    HG1  THR  14           HG1      THR  14  -5.212  -3.951  -2.422
  122   1HG2  THR  14          1HG2      THR  14  -3.395  -0.597  -3.676
  123   2HG2  THR  14          2HG2      THR  14  -3.254  -2.156  -4.492
  124   3HG2  THR  14          3HG2      THR  14  -4.809  -1.321  -4.445
  125    H    LEU  15           H        LEU  15  -4.395  -0.252  -0.014
  126    HA   LEU  15           HA       LEU  15  -5.184  -2.070   2.162
  127   1HB   LEU  15          1HB       LEU  15  -3.676   0.218   2.409
  128   2HB   LEU  15          2HB       LEU  15  -5.284   0.844   2.704
  129    HG   LEU  15           HG       LEU  15  -5.007  -1.546   4.286
  130   1HD1  LEU  15          1HD1      LEU  15  -2.683   0.340   4.624
  131   2HD1  LEU  15          2HD1      LEU  15  -3.160  -0.898   5.787
  132   3HD1  LEU  15          3HD1      LEU  15  -2.617  -1.364   4.174
  133   1HD2  LEU  15          1HD2      LEU  15  -6.449   0.370   4.825
  134   2HD2  LEU  15          2HD2      LEU  15  -5.400  -0.077   6.170
  135   3HD2  LEU  15          3HD2      LEU  15  -5.016   1.334   5.185
  136    H    GLU  16           H        GLU  16  -7.118  -2.809   1.783
  137    HA   GLU  16           HA       GLU  16  -9.323  -1.070   0.863
  138   1HB   GLU  16          1HB       GLU  16  -8.391  -3.730  -0.111
  139   2HB   GLU  16          2HB       GLU  16 -10.126  -3.457  -0.082
  140   1HG   GLU  16          1HG       GLU  16  -9.638  -1.324  -1.410
  141   2HG   GLU  16          2HG       GLU  16  -8.024  -1.986  -1.656
  142    H    VAL  17           H        VAL  17 -11.365  -1.311   1.720
  143    HA   VAL  17           HA       VAL  17 -11.742  -3.096   4.046
  144    HB   VAL  17           HB       VAL  17 -13.457  -1.376   4.941
  145   1HG1  VAL  17          1HG1      VAL  17 -11.240  -1.943   5.920
  146   2HG1  VAL  17          2HG1      VAL  17 -10.586  -0.519   5.112
  147   3HG1  VAL  17          3HG1      VAL  17 -11.852  -0.340   6.326
  148   1HG2  VAL  17          1HG2      VAL  17 -13.423   0.200   2.933
  149   2HG2  VAL  17          2HG2      VAL  17 -13.230   0.968   4.511
  150   3HG2  VAL  17          3HG2      VAL  17 -11.826   0.719   3.472

  No H/Q in entry =         150
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1 -14.000   0.675  -1.416
    2    H2   MET   1           H2       MET   1 -13.775   0.555   0.255
    3    H3   MET   1           H3       MET   1 -14.883   1.670  -0.372
    4    HA   MET   1           HA       MET   1 -13.111   2.903  -1.424
    5   1HB   MET   1          1HB       MET   1 -13.838   2.875   1.228
    6   2HB   MET   1          2HB       MET   1 -12.090   2.720   1.350
    7   1HG   MET   1          1HG       MET   1 -11.712   4.819   0.466
    8   2HG   MET   1          2HG       MET   1 -13.271   4.871  -0.358
    9   1HE   MET   1          1HE       MET   1 -15.537   5.103   0.849
   10   2HE   MET   1          2HE       MET   1 -15.678   6.364   2.075
   11   3HE   MET   1          3HE       MET   1 -14.937   6.729   0.516
   12    H    GLN   2           H        GLN   2 -10.999   3.219  -2.019
   13    HA   GLN   2           HA       GLN   2  -8.942   1.226  -1.372
   14   1HB   GLN   2          1HB       GLN   2 -10.080   1.730  -4.009
   15   2HB   GLN   2          2HB       GLN   2  -8.357   2.067  -3.999
   16   1HG   GLN   2          1HG       GLN   2  -7.813  -0.144  -3.416
   17   2HG   GLN   2          2HG       GLN   2  -9.476  -0.519  -2.967
   18   2HE2  GLN   2          2HE2      GLN   2  -7.210  -0.151  -5.629
   19   1HE2  GLN   2          1HE2      GLN   2  -8.239  -0.833  -6.838
   20    H    ILE   3           H        ILE   3  -7.087   1.998  -0.701
   21    HA   ILE   3           HA       ILE   3  -6.003   4.580  -1.428
   22    HB   ILE   3           HB       ILE   3  -5.464   5.191   1.047
   23   1HG1  ILE   3          1HG1      ILE   3  -8.072   4.376   2.129
   24   2HG1  ILE   3          2HG1      ILE   3  -7.153   2.954   1.668
   25   1HG2  ILE   3          1HG2      ILE   3  -6.860   6.467  -0.556
   26   2HG2  ILE   3          2HG2      ILE   3  -8.287   5.658   0.095
   27   3HG2  ILE   3          3HG2      ILE   3  -7.317   6.706   1.130
   28   1HD1  ILE   3          1HD1      ILE   3  -5.801   5.022   3.320
   29   2HD1  ILE   3          2HD1      ILE   3  -7.007   3.980   4.077
   30   3HD1  ILE   3          3HD1      ILE   3  -5.591   3.270   3.299
   31    H    PHE   4           H        PHE   4  -4.006   4.403  -1.918
   32    HA   PHE   4           HA       PHE   4  -2.451   2.009  -1.392
   33   1HB   PHE   4          1HB       PHE   4  -2.376   4.265  -3.311
   34   2HB   PHE   4          2HB       PHE   4  -0.808   3.617  -2.885
   35    HD1  PHE   4           HD1      PHE   4  -4.225   2.683  -4.522
   36    HD2  PHE   4           HD2      PHE   4   0.097   1.561  -3.891
   37    HE1  PHE   4           HE1      PHE   4  -4.406   0.918  -6.400
   38    HE2  PHE   4           HE2      PHE   4  -0.100  -0.210  -5.772
   39    HZ   PHE   4           HZ       PHE   4  -2.345  -0.529  -7.036
   40    H    VAL   5           H        VAL   5  -0.513   1.775  -0.374
   41    HA   VAL   5           HA       VAL   5   0.831   3.986   0.978
   42    HB   VAL   5           HB       VAL   5   1.137   2.546   3.127
   43   1HG1  VAL   5          1HG1      VAL   5   0.005   4.664   3.111
   44   2HG1  VAL   5          2HG1      VAL   5  -1.496   3.895   2.598
   45   3HG1  VAL   5          3HG1      VAL   5  -0.825   3.543   4.190
   46   1HG2  VAL   5          1HG2      VAL   5  -0.092   0.470   2.274
   47   2HG2  VAL   5          2HG2      VAL   5  -0.555   1.045   3.878
   48   3HG2  VAL   5          3HG2      VAL   5  -1.586   1.382   2.488
   49    H    LYS   6           H        LYS   6   2.972   3.932   0.899
   50    HA   LYS   6           HA       LYS   6   4.391   1.459   0.128
   51   1HB   LYS   6          1HB       LYS   6   4.023   3.682  -1.492
   52   2HB   LYS   6          2HB       LYS   6   5.633   3.943  -0.838
   53   1HG   LYS   6          1HG       LYS   6   6.487   2.004  -1.824
   54   2HG   LYS   6          2HG       LYS   6   4.885   1.312  -2.073
   55   1HD   LYS   6          1HD       LYS   6   4.429   2.744  -3.886
   56   2HD   LYS   6          2HD       LYS   6   5.746   3.839  -3.467
   57   1HE   LYS   6          1HE       LYS   6   6.426   1.012  -4.169
   58   2HE   LYS   6          2HE       LYS   6   5.942   2.107  -5.462
   59   1HZ   LYS   6          1HZ       LYS   6   7.689   3.655  -4.663
   60   2HZ   LYS   6          2HZ       LYS   6   8.214   2.460  -3.587
   61   3HZ   LYS   6          3HZ       LYS   6   8.295   2.192  -5.254
   62    H    THR   7           H        THR   7   6.382   1.027   0.941
   63    HA   THR   7           HA       THR   7   7.273   2.364   3.399
   64    HB   THR   7           HB       THR   7   8.921   0.342   3.426
   65    HG1  THR   7           HG1      THR   7   8.765  -0.855   1.698
   66   1HG2  THR   7          1HG2      THR   7   6.961   0.623   4.940
   67   2HG2  THR   7          2HG2      THR   7   5.984  -0.266   3.771
   68   3HG2  THR   7          3HG2      THR   7   7.338  -1.062   4.574
   69    H    LEU   8           H        LEU   8   8.374   1.805   0.089
   70    HA   LEU   8           HA       LEU   8  10.031   2.310  -1.260
   71   1HB   LEU   8          1HB       LEU   8  10.986   4.566  -1.296
   72   2HB   LEU   8          2HB       LEU   8   9.261   4.585  -1.052
   73    HG   LEU   8           HG       LEU   8  10.793   4.783   1.479
   74   1HD1  LEU   8          1HD1      LEU   8  12.283   6.034  -0.104
   75   2HD1  LEU   8          2HD1      LEU   8  10.947   7.155  -0.366
   76   3HD1  LEU   8          3HD1      LEU   8  11.649   6.980   1.243
   77   1HD2  LEU   8          1HD2      LEU   8   8.372   5.169   1.355
   78   2HD2  LEU   8          2HD2      LEU   8   9.229   6.589   1.958
   79   3HD2  LEU   8          3HD2      LEU   8   8.648   6.549   0.293
   80    H    ASP   9           H        ASP   9  10.745   0.304  -0.082
   81    HA   ASP   9           HA       ASP   9  13.647   0.334   0.315
   82   1HB   ASP   9          1HB       ASP   9  11.975  -0.020   2.515
   83   2HB   ASP   9          2HB       ASP   9  12.365  -1.670   2.045
   84    H    GLY  10           H        GLY  10  10.662  -1.589  -0.272
   85   1HA   GLY  10          2HA       GLY  10  11.985  -3.885  -1.489
   86   2HA   GLY  10          1HA       GLY  10  11.111  -2.851  -2.605
   87    H    LYS  11           H        LYS  11   8.922  -2.128  -0.827
   88    HA   LYS  11           HA       LYS  11   7.227  -4.532  -0.916
   89   1HB   LYS  11          1HB       LYS  11   7.836  -2.941   1.570
   90   2HB   LYS  11          2HB       LYS  11   6.256  -3.682   1.392
   91   1HG   LYS  11          1HG       LYS  11   7.018  -5.757   1.821
   92   2HG   LYS  11          2HG       LYS  11   8.485  -5.535   0.877
   93   1HD   LYS  11          1HD       LYS  11   9.659  -5.375   2.774
   94   2HD   LYS  11          2HD       LYS  11   8.806  -3.890   3.172
   95   1HE   LYS  11          1HE       LYS  11   7.539  -6.522   3.820
   96   2HE   LYS  11          2HE       LYS  11   8.847  -5.920   4.833
   97   1HZ   LYS  11          1HZ       LYS  11   7.569  -3.878   5.172
   98   2HZ   LYS  11          2HZ       LYS  11   6.300  -4.510   4.247
   99   3HZ   LYS  11          3HZ       LYS  11   6.722  -5.240   5.713
  100    H    THR  12           H        THR  12   5.020  -4.193  -1.219
  101    HA   THR  12           HA       THR  12   3.838  -1.518  -1.299
  102    HB   THR  12           HB       THR  12   2.653  -2.140  -3.530
  103    HG1  THR  12           HG1      THR  12   4.982  -3.773  -3.746
  104   1HG2  THR  12          1HG2      THR  12   4.459  -0.345  -3.114
  105   2HG2  THR  12          2HG2      THR  12   5.556  -1.474  -3.910
  106   3HG2  THR  12          3HG2      THR  12   4.152  -0.852  -4.776
  107    H    ILE  13           H        ILE  13   1.913  -1.460  -0.367
  108    HA   ILE  13           HA       ILE  13   0.146  -3.793  -0.237
  109    HB   ILE  13           HB       ILE  13   1.629  -3.834   1.790
  110   1HG1  ILE  13          2HG1      ILE  13  -0.801  -3.631   3.351
  111   2HG1  ILE  13          1HG1      ILE  13  -1.203  -4.256   1.761
  112   1HG2  ILE  13          1HG2      ILE  13   1.979  -1.526   2.361
  113   2HG2  ILE  13          2HG2      ILE  13   0.278  -1.331   2.797
  114   3HG2  ILE  13          3HG2      ILE  13   1.318  -2.396   3.746
  115   1HD1  ILE  13          1HD1      ILE  13   0.909  -5.422   3.560
  116   2HD1  ILE  13          2HD1      ILE  13  -0.751  -6.007   3.445
  117   3HD1  ILE  13          3HD1      ILE  13   0.316  -6.098   2.043
  118    H    THR  14           H        THR  14  -1.997  -3.430  -0.398
  119    HA   THR  14           HA       THR  14  -3.056  -0.678  -0.684
  120    HB   THR  14           HB       THR  14  -4.990  -1.865  -1.943
  121    HG1  THR  14           HG1      THR  14  -2.976  -3.877  -2.154
  122   1HG2  THR  14          1HG2      THR  14  -3.025  -0.470  -2.910
  123   2HG2  THR  14          2HG2      THR  14  -2.486  -2.029  -3.537
  124   3HG2  THR  14          3HG2      THR  14  -4.079  -1.404  -3.972
  125    H    LEU  15           H        LEU  15  -5.034  -0.056   0.194
  126    HA   LEU  15           HA       LEU  15  -6.132  -1.717   2.363
  127   1HB   LEU  15          1HB       LEU  15  -5.622   1.177   2.088
  128   2HB   LEU  15          2HB       LEU  15  -7.219   0.817   2.706
  129    HG   LEU  15           HG       LEU  15  -5.307  -0.799   4.162
  130   1HD1  LEU  15          1HD1      LEU  15  -4.625   2.135   4.128
  131   2HD1  LEU  15          2HD1      LEU  15  -4.025   0.961   5.300
  132   3HD1  LEU  15          3HD1      LEU  15  -3.598   0.804   3.595
  133   1HD2  LEU  15          1HD2      LEU  15  -7.031   1.520   5.028
  134   2HD2  LEU  15          2HD2      LEU  15  -7.462  -0.189   5.065
  135   3HD2  LEU  15          3HD2      LEU  15  -6.184   0.421   6.118
  136    H    GLU  16           H        GLU  16  -7.675  -2.960   1.633
  137    HA   GLU  16           HA       GLU  16  -9.809  -1.943  -0.143
  138   1HB   GLU  16          1HB       GLU  16  -8.116  -4.390  -0.328
  139   2HB   GLU  16          2HB       GLU  16  -9.800  -4.555  -0.796
  140   1HG   GLU  16          1HG       GLU  16  -9.450  -2.636  -2.381
  141   2HG   GLU  16          2HG       GLU  16  -7.733  -2.712  -1.997
  142    H    VAL  17           H        VAL  17 -11.919  -2.561   0.181
  143    HA   VAL  17           HA       VAL  17 -12.626  -3.698   2.779
  144    HB   VAL  17           HB       VAL  17 -13.439  -1.398   2.123
  145   1HG1  VAL  17          1HG1      VAL  17 -14.085  -1.647  -0.206
  146   2HG1  VAL  17          2HG1      VAL  17 -15.424  -2.697   0.263
  147   3HG1  VAL  17          3HG1      VAL  17 -15.413  -1.006   0.761
  148   1HG2  VAL  17          1HG2      VAL  17 -14.515  -2.831   3.903
  149   2HG2  VAL  17          2HG2      VAL  17 -15.454  -1.469   3.297
  150   3HG2  VAL  17          3HG2      VAL  17 -15.822  -3.105   2.750

  No H/Q in entry =         150
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1 -14.039  -0.121  -1.610
    2    H2   MET   1           H2       MET   1 -13.829  -0.217   0.066
    3    H3   MET   1           H3       MET   1 -15.006   0.811  -0.580
    4    HA   MET   1           HA       MET   1 -13.322   2.175  -1.608
    5   1HB   MET   1          1HB       MET   1 -14.041   2.070   1.054
    6   2HB   MET   1          2HB       MET   1 -12.288   2.056   1.162
    7   1HG   MET   1          1HG       MET   1 -12.614   4.291   1.235
    8   2HG   MET   1          2HG       MET   1 -12.554   4.107  -0.516
    9   1HE   MET   1          1HE       MET   1 -14.751   4.377   2.620
   10   2HE   MET   1          2HE       MET   1 -14.421   6.032   2.104
   11   3HE   MET   1          3HE       MET   1 -16.070   5.407   2.062
   12    H    GLN   2           H        GLN   2 -11.229   2.657  -2.176
   13    HA   GLN   2           HA       GLN   2  -9.045   0.793  -1.548
   14   1HB   GLN   2          1HB       GLN   2 -10.197   0.718  -4.003
   15   2HB   GLN   2          2HB       GLN   2  -9.017   1.986  -4.285
   16   1HG   GLN   2          1HG       GLN   2  -7.278   0.350  -3.376
   17   2HG   GLN   2          2HG       GLN   2  -8.524  -0.885  -3.530
   18   2HE2  GLN   2          2HE2      GLN   2  -9.029  -1.697  -5.571
   19   1HE2  GLN   2          1HE2      GLN   2  -8.152  -1.256  -6.990
   20    H    ILE   3           H        ILE   3  -7.243   1.663  -0.862
   21    HA   ILE   3           HA       ILE   3  -6.352   4.360  -1.435
   22    HB   ILE   3           HB       ILE   3  -5.806   4.787   1.090
   23   1HG2  ILE   3          1HG2      ILE   3  -8.574   5.199  -0.027
   24   2HG2  ILE   3          2HG2      ILE   3  -7.914   6.058   1.365
   25   3HG2  ILE   3          3HG2      ILE   3  -7.169   6.247  -0.223
   26   1HD1  ILE   3          1HD1      ILE   3  -6.023   4.317   3.306
   27   2HD1  ILE   3          2HD1      ILE   3  -7.209   3.208   3.995
   28   3HD1  ILE   3          3HD1      ILE   3  -5.827   2.576   3.099
   29    H    PHE   4           H        PHE   4  -4.336   4.353  -1.950
   30    HA   PHE   4           HA       PHE   4  -2.634   2.022  -1.558
   31   1HB   PHE   4          1HB       PHE   4  -2.790   4.285  -3.450
   32   2HB   PHE   4          2HB       PHE   4  -1.159   3.774  -3.080
   33    HD1  PHE   4           HD1      PHE   4  -4.518   2.625  -4.655
   34    HD2  PHE   4           HD2      PHE   4  -0.132   1.742  -4.083
   35    HE1  PHE   4           HE1      PHE   4  -4.636   0.829  -6.511
   36    HE2  PHE   4           HE2      PHE   4  -0.259  -0.044  -5.956
   37    HZ   PHE   4           HZ       PHE   4  -2.505  -0.501  -7.172
   38    H    VAL   5           H        VAL   5  -0.647   1.886  -0.626
   39    HA   VAL   5           HA       VAL   5   0.670   4.132   0.677
   40    HB   VAL   5           HB       VAL   5   1.064   2.766   2.852
   41   1HG1  VAL   5          1HG1      VAL   5  -0.252   4.872   2.595
   42   2HG1  VAL   5          2HG1      VAL   5  -1.707   3.876   2.545
   43   3HG1  VAL   5          3HG1      VAL   5  -0.681   3.869   3.981
   44   1HG2  VAL   5          1HG2      VAL   5  -0.009   0.610   2.292
   45   2HG2  VAL   5          2HG2      VAL   5  -0.773   1.353   3.697
   46   3HG2  VAL   5          3HG2      VAL   5  -1.566   1.420   2.122
   47    H    LYS   6           H        LYS   6   2.828   4.081   0.616
   48    HA   LYS   6           HA       LYS   6   4.227   1.638  -0.283
   49   1HB   LYS   6          1HB       LYS   6   3.931   3.925  -1.745
   50   2HB   LYS   6          2HB       LYS   6   5.457   4.255  -0.944
   51   1HG   LYS   6          1HG       LYS   6   6.495   2.367  -1.934
   52   2HG   LYS   6          2HG       LYS   6   4.954   1.722  -2.496
   53   1HD   LYS   6          1HD       LYS   6   4.841   3.135  -4.289
   54   2HD   LYS   6          2HD       LYS   6   5.714   4.437  -3.478
   55   1HE   LYS   6          1HE       LYS   6   7.813   3.321  -3.823
   56   2HE   LYS   6          2HE       LYS   6   7.000   1.888  -4.454
   57   1HZ   LYS   6          1HZ       LYS   6   6.171   3.272  -6.299
   58   2HZ   LYS   6          2HZ       LYS   6   7.081   4.574  -5.716
   59   3HZ   LYS   6          3HZ       LYS   6   7.860   3.176  -6.264
   60    H    THR   7           H        THR   7   6.227   1.104   0.503
   61    HA   THR   7           HA       THR   7   7.240   2.432   2.952
   62    HB   THR   7           HB       THR   7   8.368   0.120   3.363
   63    HG1  THR   7           HG1      THR   7   7.877  -0.915   1.445
   64   1HG2  THR   7          1HG2      THR   7   5.475   0.755   3.798
   65   2HG2  THR   7          2HG2      THR   7   6.119  -0.808   4.301
   66   3HG2  THR   7          3HG2      THR   7   6.795   0.681   4.966
   67    H    LEU   8           H        LEU   8   9.436   2.780   3.270
   68    HA   LEU   8           HA       LEU   8  11.094   3.435   1.046
   69   1HB   LEU   8          1HB       LEU   8  11.018   3.966   3.830
   70   2HB   LEU   8          2HB       LEU   8  12.605   3.305   3.505
   71    HG   LEU   8           HG       LEU   8  12.190   5.244   1.470
   72   1HD1  LEU   8          1HD1      LEU   8  11.294   6.313   4.142
   73   2HD1  LEU   8          2HD1      LEU   8  11.803   7.321   2.789
   74   3HD1  LEU   8          3HD1      LEU   8  10.383   6.288   2.632
   75   1HD2  LEU   8          1HD2      LEU   8  13.831   5.395   3.996
   76   2HD2  LEU   8          2HD2      LEU   8  14.348   4.786   2.422
   77   3HD2  LEU   8          3HD2      LEU   8  13.982   6.499   2.628
   78    H    ASP   9           H        ASP   9  10.772   0.398   2.676
   79    HA   ASP   9           HA       ASP   9  13.373  -0.778   2.350
   80   1HB   ASP   9          1HB       ASP   9  11.096  -1.472   3.749
   81   2HB   ASP   9          2HB       ASP   9  11.145  -2.688   2.479
   82    H    GLY  10           H        GLY  10  10.435  -0.772   0.307
   83   1HA   GLY  10          2HA       GLY  10  11.888  -2.068  -1.936
   84   2HA   GLY  10          1HA       GLY  10  10.672  -0.820  -2.128
   85    H    LYS  11           H        LYS  11   8.544  -1.634  -0.645
   86    HA   LYS  11           HA       LYS  11   7.491  -3.919  -2.116
   87   1HB   LYS  11          1HB       LYS  11   6.363  -4.914  -0.041
   88   2HB   LYS  11          2HB       LYS  11   8.070  -5.226  -0.233
   89   1HG   LYS  11          1HG       LYS  11   8.188  -3.110   1.462
   90   2HG   LYS  11          2HG       LYS  11   6.604  -3.745   1.902
   91   1HD   LYS  11          1HD       LYS  11   7.821  -6.021   2.091
   92   2HD   LYS  11          2HD       LYS  11   9.300  -5.060   2.111
   93   1HE   LYS  11          1HE       LYS  11   8.621  -3.919   4.093
   94   2HE   LYS  11          2HE       LYS  11   7.002  -4.611   4.005
   95   1HZ   LYS  11          1HZ       LYS  11   9.476  -6.204   4.404
   96   2HZ   LYS  11          2HZ       LYS  11   8.462  -5.693   5.659
   97   3HZ   LYS  11          3HZ       LYS  11   7.882  -6.766   4.487
   98    H    THR  12           H        THR  12   5.435  -3.737  -2.790
   99    HA   THR  12           HA       THR  12   3.780  -1.459  -1.860
  100    HB   THR  12           HB       THR  12   2.693  -1.598  -4.212
  101    HG1  THR  12           HG1      THR  12   3.859  -2.523  -5.818
  102   1HG2  THR  12          1HG2      THR  12   4.226   0.235  -3.321
  103   2HG2  THR  12          2HG2      THR  12   5.514  -0.551  -4.236
  104   3HG2  THR  12          3HG2      THR  12   4.098   0.085  -5.074
  105    H    ILE  13           H        ILE  13   1.753  -1.765  -1.203
  106    HA   ILE  13           HA       ILE  13   0.119  -4.083  -1.827
  107    HB   ILE  13           HB       ILE  13  -0.490  -4.512   0.647
  108   1HG1  ILE  13          1HG1      ILE  13   2.200  -4.219   1.768
  109   2HG1  ILE  13          2HG1      ILE  13   1.633  -2.647   1.228
  110   1HG2  ILE  13          1HG2      ILE  13   2.088  -5.527  -0.519
  111   2HG2  ILE  13          2HG2      ILE  13   1.274  -6.246   0.873
  112   3HG2  ILE  13          3HG2      ILE  13   0.469  -6.207  -0.698
  113   1HD1  ILE  13          1HD1      ILE  13   0.112  -4.454   3.094
  114   2HD1  ILE  13          2HD1      ILE  13   1.155  -3.125   3.605
  115   3HD1  ILE  13          3HD1      ILE  13  -0.296  -2.794   2.657
  116    H    THR  14           H        THR  14  -2.062  -3.784  -1.724
  117    HA   THR  14           HA       THR  14  -3.079  -1.061  -1.406
  118    HB   THR  14           HB       THR  14  -5.301  -2.065  -2.194
  119    HG1  THR  14           HG1      THR  14  -5.334  -4.179  -2.268
  120   1HG2  THR  14          1HG2      THR  14  -3.500  -0.928  -3.656
  121   2HG2  THR  14          2HG2      THR  14  -3.239  -2.554  -4.289
  122   3HG2  THR  14          3HG2      THR  14  -4.832  -1.801  -4.416
  123    H    LEU  15           H        LEU  15  -4.634  -0.328  -0.006
  124    HA   LEU  15           HA       LEU  15  -5.423  -2.037   2.259
  125   1HB   LEU  15          1HB       LEU  15  -3.977   0.329   2.378
  126   2HB   LEU  15          2HB       LEU  15  -5.608   0.879   2.696
  127    HG   LEU  15           HG       LEU  15  -5.092  -1.462   4.330
  128   1HD1  LEU  15          1HD1      LEU  15  -3.031   0.715   4.637
  129   2HD1  LEU  15          2HD1      LEU  15  -3.326  -0.587   5.790
  130   3HD1  LEU  15          3HD1      LEU  15  -2.735  -0.960   4.170
  131   1HD2  LEU  15          1HD2      LEU  15  -6.724   0.429   4.729
  132   2HD2  LEU  15          2HD2      LEU  15  -5.799  -0.110   6.130
  133   3HD2  LEU  15          3HD2      LEU  15  -5.347   1.377   5.296
  134    H    GLU  16           H        GLU  16  -7.326  -2.837   1.824
  135    HA   GLU  16           HA       GLU  16  -9.525  -1.176   0.763
  136   1HB   GLU  16          1HB       GLU  16  -8.537  -3.878  -0.005
  137   2HB   GLU  16          2HB       GLU  16 -10.278  -3.641  -0.024
  138   1HG   GLU  16          1HG       GLU  16  -9.642  -1.503  -1.430
  139   2HG   GLU  16          2HG       GLU  16  -8.166  -2.413  -1.741
  140    H    VAL  17           H        VAL  17 -11.584  -1.363   1.580
  141    HA   VAL  17           HA       VAL  17 -12.169  -3.177   3.817
  142    HB   VAL  17           HB       VAL  17 -13.484  -1.292   5.008
  143   1HG1  VAL  17          1HG1      VAL  17 -11.551  -2.375   5.957
  144   2HG1  VAL  17          2HG1      VAL  17 -10.480  -1.257   5.111
  145   3HG1  VAL  17          3HG1      VAL  17 -11.566  -0.659   6.365
  146   1HG2  VAL  17          1HG2      VAL  17 -13.127   0.505   3.209
  147   2HG2  VAL  17          2HG2      VAL  17 -12.822   0.992   4.878
  148   3HG2  VAL  17          3HG2      VAL  17 -11.472   0.630   3.804

  No H/Q in entry =         148
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1 -14.102   0.882  -1.176
    2    H2   MET   1           H2       MET   1 -13.942   0.854   0.507
    3    H3   MET   1           H3       MET   1 -15.000   1.953  -0.224
    4    HA   MET   1           HA       MET   1 -13.193   3.124  -1.241
    5   1HB   MET   1          1HB       MET   1 -13.906   3.145   1.424
    6   2HB   MET   1          2HB       MET   1 -12.162   2.961   1.528
    7   1HG   MET   1          2HG       MET   1 -12.270   5.218   1.558
    8   2HG   MET   1          1HG       MET   1 -12.233   4.994  -0.189
    9   1HE   MET   1          1HE       MET   1 -14.360   5.560   2.942
   10   2HE   MET   1          2HE       MET   1 -13.887   7.163   2.372
   11   3HE   MET   1          3HE       MET   1 -15.587   6.691   2.363
   12    H    GLN   2           H        GLN   2 -11.060   3.394  -1.819
   13    HA   GLN   2           HA       GLN   2  -9.072   1.343  -1.150
   14   1HB   GLN   2          1HB       GLN   2 -10.230   1.533  -3.687
   15   2HB   GLN   2          2HB       GLN   2  -8.708   2.390  -3.864
   16   1HG   GLN   2          1HG       GLN   2  -7.470   0.454  -3.170
   17   2HG   GLN   2          2HG       GLN   2  -8.957  -0.412  -2.797
   18   2HE2  GLN   2          2HE2      GLN   2  -6.827   0.701  -5.366
   19   1HE2  GLN   2          1HE2      GLN   2  -7.564  -0.224  -6.625
   20    H    ILE   3           H        ILE   3  -7.214   2.059  -0.437
   21    HA   ILE   3           HA       ILE   3  -6.107   4.665  -1.091
   22    HB   ILE   3           HB       ILE   3  -5.514   5.109   1.409
   23   1HG1  ILE   3          1HG1      ILE   3  -8.107   4.260   2.488
   24   2HG1  ILE   3          2HG1      ILE   3  -7.230   2.855   1.906
   25   1HG2  ILE   3          1HG2      ILE   3  -6.923   6.500  -0.084
   26   2HG2  ILE   3          2HG2      ILE   3  -8.346   5.663   0.537
   27   3HG2  ILE   3          3HG2      ILE   3  -7.349   6.632   1.622
   28   1HD1  ILE   3          1HD1      ILE   3  -5.776   4.763   3.653
   29   2HD1  ILE   3          2HD1      ILE   3  -7.010   3.732   4.378
   30   3HD1  ILE   3          3HD1      ILE   3  -5.645   3.008   3.527
   31    H    PHE   4           H        PHE   4  -4.096   4.568  -1.574
   32    HA   PHE   4           HA       PHE   4  -2.536   2.141  -1.240
   33   1HB   PHE   4          1HB       PHE   4  -2.551   4.460  -3.051
   34   2HB   PHE   4          2HB       PHE   4  -0.937   3.943  -2.621
   35    HD1  PHE   4           HD1      PHE   4  -4.197   2.870  -4.415
   36    HD2  PHE   4           HD2      PHE   4   0.133   1.909  -3.604
   37    HE1  PHE   4           HE1      PHE   4  -4.213   1.157  -6.349
   38    HE2  PHE   4           HE2      PHE   4   0.114   0.208  -5.556
   39    HZ   PHE   4           HZ       PHE   4  -2.055  -0.170  -6.934
   40    H    VAL   5           H        VAL   5  -0.585   1.850  -0.278
   41    HA   VAL   5           HA       VAL   5   0.802   3.958   1.169
   42    HB   VAL   5           HB       VAL   5   1.147   2.396   3.232
   43   1HG1  VAL   5          1HG1      VAL   5  -0.025   4.565   3.218
   44   2HG1  VAL   5          2HG1      VAL   5  -1.544   3.706   2.960
   45   3HG1  VAL   5          3HG1      VAL   5  -0.621   3.441   4.439
   46   1HG2  VAL   5          1HG2      VAL   5  -0.144   0.394   2.299
   47   2HG2  VAL   5          2HG2      VAL   5  -0.547   0.885   3.947
   48   3HG2  VAL   5          3HG2      VAL   5  -1.614   1.318   2.610
   49    H    LYS   6           H        LYS   6   2.849   3.955   0.669
   50    HA   LYS   6           HA       LYS   6   4.271   1.481  -0.113
   51   1HB   LYS   6          1HB       LYS   6   3.553   3.663  -1.787
   52   2HB   LYS   6          2HB       LYS   6   5.287   3.793  -1.540
   53   1HG   LYS   6          1HG       LYS   6   5.032   1.133  -2.127
   54   2HG   LYS   6          2HG       LYS   6   3.718   1.817  -3.078
   55   1HD   LYS   6          1HD       LYS   6   6.204   3.335  -3.406
   56   2HD   LYS   6          2HD       LYS   6   6.426   1.630  -3.772
   57   1HE   LYS   6          2HE       LYS   6   5.848   2.457  -5.835
   58   2HE   LYS   6          1HE       LYS   6   4.273   1.949  -5.227
   59   1HZ   LYS   6          1HZ       LYS   6   5.314   4.723  -5.024
   60   2HZ   LYS   6          2HZ       LYS   6   4.296   4.186  -6.263
   61   3HZ   LYS   6          3HZ       LYS   6   3.749   4.194  -4.662
   62    H    THR   7           H        THR   7   6.456   1.287   0.295
   63    HA   THR   7           HA       THR   7   7.859   3.351   1.832
   64    HB   THR   7           HB       THR   7   7.230   1.813   3.572
   65    HG1  THR   7           HG1      THR   7   9.976   1.498   2.964
   66   1HG2  THR   7          1HG2      THR   7   7.980  -0.393   1.773
   67   2HG2  THR   7          2HG2      THR   7   8.558  -0.575   3.429
   68   3HG2  THR   7          3HG2      THR   7   6.835  -0.363   3.114
   69    H    LEU   8           H        LEU   8  10.059   3.563   1.589
   70    HA   LEU   8           HA       LEU   8  11.130   3.007  -1.026
   71   1HB   LEU   8          1HB       LEU   8  11.669   4.817   1.176
   72   2HB   LEU   8          2HB       LEU   8  13.170   4.149   0.571
   73    HG   LEU   8           HG       LEU   8  11.782   4.920  -1.762
   74   1HD1  LEU   8          1HD1      LEU   8  11.442   7.058   0.342
   75   2HD1  LEU   8          2HD1      LEU   8  11.288   7.325  -1.395
   76   3HD1  LEU   8          3HD1      LEU   8  10.169   6.239  -0.567
   77   1HD2  LEU   8          1HD2      LEU   8  14.216   5.114  -1.299
   78   2HD2  LEU   8          2HD2      LEU   8  13.516   6.538  -2.070
   79   3HD2  LEU   8          3HD2      LEU   8  13.877   6.557  -0.344
   80    H    ASP   9           H        ASP   9  11.203   1.078   1.754
   81    HA   ASP   9           HA       ASP   9  13.804  -0.151   1.702
   82   1HB   ASP   9          1HB       ASP   9  11.714  -0.134   3.500
   83   2HB   ASP   9          2HB       ASP   9  11.654  -1.777   2.878
   84    H    GLY  10           H        GLY  10  10.677  -0.975   0.172
   85   1HA   GLY  10          2HA       GLY  10  11.862  -3.288  -1.272
   86   2HA   GLY  10          1HA       GLY  10  10.868  -2.086  -2.074
   87    H    LYS  11           H        LYS  11   8.698  -1.719  -0.528
   88    HA   LYS  11           HA       LYS  11   7.216  -4.265  -0.621
   89   1HB   LYS  11          1HB       LYS  11   7.330  -2.450   1.799
   90   2HB   LYS  11          2HB       LYS  11   5.989  -3.535   1.533
   91   1HG   LYS  11          1HG       LYS  11   7.095  -5.263   2.420
   92   2HG   LYS  11          2HG       LYS  11   8.481  -5.001   1.371
   93   1HD   LYS  11          1HD       LYS  11   9.648  -4.454   3.213
   94   2HD   LYS  11          2HD       LYS  11   8.726  -2.960   3.273
   95   1HE   LYS  11          1HE       LYS  11   7.660  -5.449   4.580
   96   2HE   LYS  11          2HE       LYS  11   8.888  -4.476   5.387
   97   1HZ   LYS  11          1HZ       LYS  11   7.406  -2.561   5.227
   98   2HZ   LYS  11          2HZ       LYS  11   6.223  -3.517   4.486
   99   3HZ   LYS  11          3HZ       LYS  11   6.681  -3.824   6.085
  100    H    THR  12           H        THR  12   5.018  -4.115  -1.125
  101    HA   THR  12           HA       THR  12   3.702  -1.518  -1.474
  102    HB   THR  12           HB       THR  12   2.706  -2.350  -3.710
  103    HG1  THR  12           HG1      THR  12   3.421  -4.225  -4.348
  104   1HG2  THR  12          1HG2      THR  12   4.498  -0.515  -3.335
  105   2HG2  THR  12          2HG2      THR  12   5.616  -1.703  -4.008
  106   3HG2  THR  12          3HG2      THR  12   4.244  -1.144  -4.965
  107    H    ILE  13           H        ILE  13   1.812  -1.505  -0.496
  108    HA   ILE  13           HA       ILE  13   0.057  -3.842  -0.361
  109    HB   ILE  13           HB       ILE  13   1.561  -3.921   1.658
  110   1HG1  ILE  13          1HG1      ILE  13  -0.859  -3.764   3.235
  111   2HG1  ILE  13          2HG1      ILE  13  -1.269  -4.352   1.633
  112   1HG2  ILE  13          1HG2      ILE  13   0.227  -1.417   2.675
  113   2HG2  ILE  13          2HG2      ILE  13   1.193  -2.517   3.658
  114   3HG2  ILE  13          3HG2      ILE  13   1.937  -1.662   2.307
  115   1HD1  ILE  13          1HD1      ILE  13   0.866  -5.554   3.381
  116   2HD1  ILE  13          2HD1      ILE  13  -0.796  -6.137   3.283
  117   3HD1  ILE  13          3HD1      ILE  13   0.247  -6.199   1.860
  118    H    THR  14           H        THR  14  -2.069  -3.450  -0.568
  119    HA   THR  14           HA       THR  14  -3.116  -0.681  -0.728
  120    HB   THR  14           HB       THR  14  -5.029  -1.756  -2.093
  121    HG1  THR  14           HG1      THR  14  -4.877  -3.849  -2.319
  122   1HG2  THR  14          1HG2      THR  14  -2.254  -1.358  -3.116
  123   2HG2  THR  14          2HG2      THR  14  -3.541  -1.898  -4.195
  124   3HG2  THR  14          3HG2      THR  14  -3.698  -0.367  -3.336
  125    H    LEU  15           H        LEU  15  -5.084  -0.092   0.191
  126    HA   LEU  15           HA       LEU  15  -6.190  -1.874   2.258
  127   1HB   LEU  15          1HB       LEU  15  -5.382   0.806   2.415
  128   2HB   LEU  15          2HB       LEU  15  -7.127   0.907   2.342
  129    HG   LEU  15           HG       LEU  15  -6.498  -1.126   4.272
  130   1HD1  LEU  15          1HD1      LEU  15  -4.269  -0.158   4.467
  131   2HD1  LEU  15          2HD1      LEU  15  -4.978   1.422   4.802
  132   3HD1  LEU  15          3HD1      LEU  15  -5.212   0.092   5.936
  133   1HD2  LEU  15          1HD2      LEU  15  -7.557   1.675   4.646
  134   2HD2  LEU  15          2HD2      LEU  15  -8.508   0.218   4.354
  135   3HD2  LEU  15          3HD2      LEU  15  -7.605   0.395   5.858
  136    H    GLU  16           H        GLU  16  -7.656  -3.131   1.389
  137    HA   GLU  16           HA       GLU  16  -9.842  -2.057  -0.284
  138   1HB   GLU  16          1HB       GLU  16  -8.055  -4.409  -0.685
  139   2HB   GLU  16          2HB       GLU  16  -9.737  -4.606  -1.149
  140   1HG   GLU  16          1HG       GLU  16  -9.399  -2.423  -2.487
  141   2HG   GLU  16          2HG       GLU  16  -7.678  -2.728  -2.271
  142    H    VAL  17           H        VAL  17 -11.925  -2.789   0.007
  143    HA   VAL  17           HA       VAL  17 -12.592  -4.053   2.553
  144    HB   VAL  17           HB       VAL  17 -15.047  -3.518   1.940
  145   1HG1  VAL  17          1HG1      VAL  17 -13.769  -2.341   3.634
  146   2HG1  VAL  17          2HG1      VAL  17 -13.174  -1.215   2.414
  147   3HG1  VAL  17          3HG1      VAL  17 -14.893  -1.265   2.804
  148   1HG2  VAL  17          1HG2      VAL  17 -14.631  -2.923  -0.519
  149   2HG2  VAL  17          2HG2      VAL  17 -15.620  -1.788   0.401
  150   3HG2  VAL  17          3HG2      VAL  17 -13.931  -1.414   0.064

  No H/Q in entry =         150
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1 -13.894   1.229  -3.196
    2    H2   MET   1           H2       MET   1 -14.254   1.058  -1.552
    3    H3   MET   1           H3       MET   1 -14.874   2.370  -2.420
    4    HA   MET   1           HA       MET   1 -12.715   3.302  -2.720
    5   1HB   MET   1          1HB       MET   1 -14.144   3.169  -0.356
    6   2HB   MET   1          2HB       MET   1 -12.528   2.719   0.166
    7   1HG   MET   1          2HG       MET   1 -12.373   4.953   0.466
    8   2HG   MET   1          1HG       MET   1 -11.888   4.894  -1.226
    9   1HE   MET   1          1HE       MET   1 -14.751   5.449   1.285
   10   2HE   MET   1          2HE       MET   1 -13.911   6.991   1.113
   11   3HE   MET   1          3HE       MET   1 -15.584   6.834   0.576
   12    H    GLN   2           H        GLN   2 -10.473   3.280  -2.602
   13    HA   GLN   2           HA       GLN   2  -9.026   0.880  -1.731
   14   1HB   GLN   2          1HB       GLN   2  -9.099   2.006  -4.499
   15   2HB   GLN   2          2HB       GLN   2  -7.521   1.521  -3.896
   16   1HG   GLN   2          1HG       GLN   2  -8.089  -0.710  -3.801
   17   2HG   GLN   2          2HG       GLN   2  -9.815  -0.377  -3.679
   18   2HE2  GLN   2          2HE2      GLN   2  -7.090  -0.754  -5.871
   19   1HE2  GLN   2          1HE2      GLN   2  -8.030  -0.810  -7.319
   20    H    ILE   3           H        ILE   3  -7.304   1.279  -0.520
   21    HA   ILE   3           HA       ILE   3  -6.099   3.946  -0.471
   22    HB   ILE   3           HB       ILE   3  -7.778   3.549   1.384
   23   1HG1  ILE   3          1HG1      ILE   3  -5.622   4.333   3.111
   24   2HG1  ILE   3          2HG1      ILE   3  -5.254   4.903   1.493
   25   1HG2  ILE   3          1HG2      ILE   3  -6.767   1.174   1.995
   26   2HG2  ILE   3          2HG2      ILE   3  -5.891   2.146   3.177
   27   3HG2  ILE   3          3HG2      ILE   3  -7.655   2.170   3.150
   28   1HD1  ILE   3          1HD1      ILE   3  -7.809   5.707   1.670
   29   2HD1  ILE   3          2HD1      ILE   3  -7.353   5.761   3.374
   30   3HD1  ILE   3          3HD1      ILE   3  -6.436   6.687   2.185
   31    H    PHE   4           H        PHE   4  -4.072   3.977  -1.044
   32    HA   PHE   4           HA       PHE   4  -2.344   1.596  -0.866
   33   1HB   PHE   4          1HB       PHE   4  -2.774   3.683  -2.916
   34   2HB   PHE   4          2HB       PHE   4  -1.089   3.289  -2.645
   35    HD1  PHE   4           HD1      PHE   4  -4.462   1.938  -3.943
   36    HD2  PHE   4           HD2      PHE   4  -0.055   1.110  -3.440
   37    HE1  PHE   4           HE1      PHE   4  -4.635  -0.025  -5.611
   38    HE2  PHE   4           HE2      PHE   4  -0.246  -0.864  -5.102
   39    HZ   PHE   4           HZ       PHE   4  -2.531  -1.430  -6.196
   40    H    VAL   5           H        VAL   5  -0.280   1.625  -0.097
   41    HA   VAL   5           HA       VAL   5   0.973   4.045   0.955
   42    HB   VAL   5           HB       VAL   5   1.688   2.805   3.123
   43   1HG1  VAL   5          1HG1      VAL   5   0.252   4.781   3.035
   44   2HG1  VAL   5          2HG1      VAL   5  -1.165   3.736   2.939
   45   3HG1  VAL   5          3HG1      VAL   5  -0.146   3.712   4.378
   46   1HG2  VAL   5          1HG2      VAL   5   0.775   0.543   2.744
   47   2HG2  VAL   5          2HG2      VAL   5   0.064   1.275   4.180
   48   3HG2  VAL   5          3HG2      VAL   5  -0.861   1.202   2.681
   49    H    LYS   6           H        LYS   6   3.106   4.188   0.692
   50    HA   LYS   6           HA       LYS   6   4.621   1.864  -0.321
   51   1HB   LYS   6          1HB       LYS   6   4.035   4.148  -1.698
   52   2HB   LYS   6          2HB       LYS   6   5.599   4.574  -1.020
   53   1HG   LYS   6          1HG       LYS   6   6.720   2.921  -2.207
   54   2HG   LYS   6          2HG       LYS   6   5.261   1.968  -2.466
   55   1HD   LYS   6          1HD       LYS   6   4.612   3.176  -4.291
   56   2HD   LYS   6          2HD       LYS   6   5.311   4.684  -3.697
   57   1HE   LYS   6          1HE       LYS   6   7.507   4.010  -4.349
   58   2HE   LYS   6          2HE       LYS   6   6.963   2.370  -4.703
   59   1HZ   LYS   6          1HZ       LYS   6   5.551   3.327  -6.476
   60   2HZ   LYS   6          2HZ       LYS   6   6.251   4.840  -6.187
   61   3HZ   LYS   6          3HZ       LYS   6   7.205   3.559  -6.743
   62    H    THR   7           H        THR   7   6.706   1.466   0.290
   63    HA   THR   7           HA       THR   7   7.896   2.917   2.586
   64    HB   THR   7           HB       THR   7   8.993   0.611   3.124
   65    HG1  THR   7           HG1      THR   7   8.365  -0.696   1.507
   66   1HG2  THR   7          1HG2      THR   7   6.161   1.372   3.738
   67   2HG2  THR   7          2HG2      THR   7   6.836  -0.134   4.358
   68   3HG2  THR   7          3HG2      THR   7   7.579   1.408   4.786
   69    H    LEU   8           H        LEU   8  10.126   3.199   2.683
   70    HA   LEU   8           HA       LEU   8  11.601   3.613   0.285
   71   1HB   LEU   8          1HB       LEU   8  12.161   3.865   3.202
   72   2HB   LEU   8          2HB       LEU   8  13.534   3.877   2.115
   73    HG   LEU   8           HG       LEU   8  11.555   5.706   1.063
   74   1HD1  LEU   8          1HD1      LEU   8  10.707   5.792   3.386
   75   2HD1  LEU   8          2HD1      LEU   8  12.293   6.365   3.905
   76   3HD1  LEU   8          3HD1      LEU   8  11.326   7.333   2.792
   77   1HD2  LEU   8          1HD2      LEU   8  13.954   5.856   0.627
   78   2HD2  LEU   8          2HD2      LEU   8  13.323   7.364   1.288
   79   3HD2  LEU   8          3HD2      LEU   8  14.241   6.265   2.318
   80    H    ASP   9           H        ASP   9  11.325   0.711   2.165
   81    HA   ASP   9           HA       ASP   9  13.829  -0.608   1.646
   82   1HB   ASP   9          1HB       ASP   9  11.282  -1.308   2.957
   83   2HB   ASP   9          2HB       ASP   9  12.106  -2.669   2.207
   84    H    GLY  10           H        GLY  10  10.674  -0.605  -0.044
   85   1HA   GLY  10          2HA       GLY  10  11.803  -2.125  -2.331
   86   2HA   GLY  10          1HA       GLY  10  10.622  -0.838  -2.478
   87    H    LYS  11           H        LYS  11   8.649  -1.452  -0.704
   88    HA   LYS  11           HA       LYS  11   7.357  -3.785  -1.882
   89   1HB   LYS  11          1HB       LYS  11   6.441  -4.603   0.362
   90   2HB   LYS  11          2HB       LYS  11   8.112  -4.977   0.024
   91   1HG   LYS  11          1HG       LYS  11   8.543  -2.834   1.543
   92   2HG   LYS  11          2HG       LYS  11   6.925  -3.210   2.133
   93   1HD   LYS  11          1HD       LYS  11   7.963  -5.650   2.358
   94   2HD   LYS  11          2HD       LYS  11   9.474  -4.746   2.410
   95   1HE   LYS  11          1HE       LYS  11   9.002  -4.819   4.639
   96   2HE   LYS  11          2HE       LYS  11   8.147  -3.334   4.229
   97   1HZ   LYS  11          1HZ       LYS  11   6.850  -6.005   4.286
   98   2HZ   LYS  11          2HZ       LYS  11   6.870  -4.952   5.610
   99   3HZ   LYS  11          3HZ       LYS  11   6.094  -4.495   4.178
  100    H    THR  12           H        THR  12   5.243  -3.582  -2.324
  101    HA   THR  12           HA       THR  12   3.754  -1.193  -1.386
  102    HB   THR  12           HB       THR  12   2.420  -1.457  -3.597
  103    HG1  THR  12           HG1      THR  12   3.131  -2.878  -4.970
  104   1HG2  THR  12          1HG2      THR  12   5.176  -0.295  -3.379
  105   2HG2  THR  12          2HG2      THR  12   4.276  -0.190  -4.892
  106   3HG2  THR  12          3HG2      THR  12   3.616   0.529  -3.423
  107    H    ILE  13           H        ILE  13   1.727  -1.393  -0.592
  108    HA   ILE  13           HA       ILE  13   0.116  -3.808  -0.859
  109    HB   ILE  13           HB       ILE  13  -0.393  -3.940   1.649
  110   1HG1  ILE  13          1HG1      ILE  13   2.301  -3.294   2.635
  111   2HG1  ILE  13          2HG1      ILE  13   1.560  -1.859   1.945
  112   1HG2  ILE  13          1HG2      ILE  13   2.233  -4.939   0.573
  113   2HG2  ILE  13          2HG2      ILE  13   1.491  -5.511   2.068
  114   3HG2  ILE  13          3HG2      ILE  13   0.660  -5.740   0.528
  115   1HD1  ILE  13          1HD1      ILE  13   0.271  -3.570   4.060
  116   2HD1  ILE  13          2HD1      ILE  13   1.212  -2.112   4.386
  117   3HD1  ILE  13          3HD1      ILE  13  -0.289  -2.007   3.465
  118    H    THR  14           H        THR  14  -2.061  -3.591  -0.686
  119    HA   THR  14           HA       THR  14  -3.211  -1.001   0.075
  120    HB   THR  14           HB       THR  14  -3.144  -0.881  -2.344
  121    HG1  THR  14           HG1      THR  14  -4.909   0.169  -1.980
  122   1HG2  THR  14          1HG2      THR  14  -3.253  -3.333  -2.954
  123   2HG2  THR  14          2HG2      THR  14  -4.992  -3.266  -2.650
  124   3HG2  THR  14          3HG2      THR  14  -4.279  -2.277  -3.926
  125    H    LEU  15           H        LEU  15  -5.272  -0.914   0.936
  126    HA   LEU  15           HA       LEU  15  -6.512  -3.422   1.871
  127   1HB   LEU  15          1HB       LEU  15  -5.172  -1.668   3.475
  128   2HB   LEU  15          2HB       LEU  15  -6.801  -1.036   3.596
  129    HG   LEU  15           HG       LEU  15  -6.931  -3.903   3.975
  130   1HD1  LEU  15          1HD1      LEU  15  -4.540  -3.691   4.616
  131   2HD1  LEU  15          2HD1      LEU  15  -5.031  -2.602   5.913
  132   3HD1  LEU  15          3HD1      LEU  15  -5.588  -4.275   5.909
  133   1HD2  LEU  15          1HD2      LEU  15  -8.497  -2.140   4.846
  134   2HD2  LEU  15          2HD2      LEU  15  -8.028  -3.379   6.011
  135   3HD2  LEU  15          3HD2      LEU  15  -7.289  -1.780   6.080
  136    H    GLU  16           H        GLU  16  -8.669  -3.658   1.718
  137    HA   GLU  16           HA       GLU  16 -10.375  -1.445   0.755
  138   1HB   GLU  16          1HB       GLU  16  -9.973  -4.180  -0.378
  139   2HB   GLU  16          2HB       GLU  16 -11.594  -3.505  -0.445
  140   1HG   GLU  16          1HG       GLU  16 -10.448  -1.444  -1.510
  141   2HG   GLU  16          2HG       GLU  16  -9.090  -2.532  -1.779
  142    H    VAL  17           H        VAL  17 -12.477  -1.295   1.462
  143    HA   VAL  17           HA       VAL  17 -13.202  -2.701   3.913
  144    HB   VAL  17           HB       VAL  17 -15.235  -1.102   3.982
  145   1HG1  VAL  17          1HG1      VAL  17 -13.278  -0.948   5.431
  146   2HG1  VAL  17          2HG1      VAL  17 -12.503   0.118   4.259
  147   3HG1  VAL  17          3HG1      VAL  17 -13.980   0.631   5.075
  148   1HG2  VAL  17          1HG2      VAL  17 -15.179  -0.172   1.673
  149   2HG2  VAL  17          2HG2      VAL  17 -15.072   1.090   2.901
  150   3HG2  VAL  17          3HG2      VAL  17 -13.627   0.584   2.028

  No H/Q in entry =         150
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1 -13.708   0.181  -1.169
    2    H2   MET   1           H2       MET   1 -13.992   0.743   0.402
    3    H3   MET   1           H3       MET   1 -14.939   1.304  -0.882
    4    HA   MET   1           HA       MET   1 -13.316   2.619  -1.747
    5   1HB   MET   1          1HB       MET   1 -12.262   3.926   0.168
    6   2HB   MET   1          2HB       MET   1 -14.000   3.772   0.219
    7   1HG   MET   1          1HG       MET   1 -13.402   3.546   2.450
    8   2HG   MET   1          2HG       MET   1 -13.516   1.861   1.951
    9   1HE   MET   1          1HE       MET   1 -11.216   4.885   2.559
   10   2HE   MET   1          2HE       MET   1 -11.451   4.102   4.123
   11   3HE   MET   1          3HE       MET   1  -9.848   4.135   3.384
   12    H    GLN   2           H        GLN   2 -11.321   3.011  -2.557
   13    HA   GLN   2           HA       GLN   2  -9.135   1.141  -1.907
   14   1HB   GLN   2          1HB       GLN   2 -10.098   2.237  -4.513
   15   2HB   GLN   2          2HB       GLN   2  -8.360   2.064  -4.325
   16   1HG   GLN   2          1HG       GLN   2  -8.482  -0.251  -4.117
   17   2HG   GLN   2          2HG       GLN   2 -10.203  -0.221  -3.732
   18   2HE2  GLN   2          2HE2      GLN   2  -7.811  -0.128  -6.307
   19   1HE2  GLN   2          1HE2      GLN   2  -8.931  -0.342  -7.605
   20    H    ILE   3           H        ILE   3  -7.349   1.865  -1.044
   21    HA   ILE   3           HA       ILE   3  -6.308   4.551  -1.393
   22    HB   ILE   3           HB       ILE   3  -5.863   4.793   1.173
   23   1HG1  ILE   3          1HG1      ILE   3  -8.496   3.825   2.022
   24   2HG1  ILE   3          2HG1      ILE   3  -7.574   2.485   1.365
   25   1HG2  ILE   3          1HG2      ILE   3  -7.164   6.326  -0.221
   26   2HG2  ILE   3          2HG2      ILE   3  -8.618   5.380   0.094
   27   3HG2  ILE   3          3HG2      ILE   3  -7.807   6.219   1.418
   28   1HD1  ILE   3          1HD1      ILE   3  -6.191   4.210   3.325
   29   2HD1  ILE   3          2HD1      ILE   3  -7.502   3.191   3.920
   30   3HD1  ILE   3          3HD1      ILE   3  -6.123   2.463   3.094
   31    H    PHE   4           H        PHE   4  -4.282   4.508  -1.812
   32    HA   PHE   4           HA       PHE   4  -2.667   2.101  -1.506
   33   1HB   PHE   4          1HB       PHE   4  -2.668   4.500  -3.245
   34   2HB   PHE   4          2HB       PHE   4  -1.081   3.865  -2.873
   35    HD1  PHE   4           HD1      PHE   4  -4.478   2.971  -4.565
   36    HD2  PHE   4           HD2      PHE   4  -0.125   1.918  -4.039
   37    HE1  PHE   4           HE1      PHE   4  -4.637   1.326  -6.552
   38    HE2  PHE   4           HE2      PHE   4  -0.297   0.268  -6.030
   39    HZ   PHE   4           HZ       PHE   4  -2.543  -0.023  -7.295
   40    H    VAL   5           H        VAL   5  -0.703   1.866  -0.525
   41    HA   VAL   5           HA       VAL   5   0.607   3.999   0.961
   42    HB   VAL   5           HB       VAL   5   0.906   2.493   3.056
   43   1HG1  VAL   5          1HG1      VAL   5  -0.278   4.608   3.053
   44   2HG1  VAL   5          2HG1      VAL   5  -1.771   3.785   2.600
   45   3HG1  VAL   5          3HG1      VAL   5  -1.021   3.455   4.162
   46   1HG2  VAL   5          1HG2      VAL   5  -0.209   0.403   2.258
   47   2HG2  VAL   5          2HG2      VAL   5  -0.911   1.022   3.752
   48   3HG2  VAL   5          3HG2      VAL   5  -1.748   1.266   2.219
   49    H    LYS   6           H        LYS   6   2.763   3.914   0.970
   50    HA   LYS   6           HA       LYS   6   4.162   1.498  -0.008
   51   1HB   LYS   6          1HB       LYS   6   3.940   3.904  -1.334
   52   2HB   LYS   6          2HB       LYS   6   5.491   4.081  -0.529
   53   1HG   LYS   6          1HG       LYS   6   6.449   2.304  -1.700
   54   2HG   LYS   6          2HG       LYS   6   4.883   1.626  -2.146
   55   1HD   LYS   6          1HD       LYS   6   4.517   3.256  -3.798
   56   2HD   LYS   6          2HD       LYS   6   5.762   4.325  -3.148
   57   1HE   LYS   6          1HE       LYS   6   7.502   2.935  -3.952
   58   2HE   LYS   6          2HE       LYS   6   6.386   1.615  -4.300
   59   1HZ   LYS   6          1HZ       LYS   6   6.314   4.240  -5.682
   60   2HZ   LYS   6          2HZ       LYS   6   7.129   2.885  -6.281
   61   3HZ   LYS   6          3HZ       LYS   6   5.449   2.845  -6.089
   62    H    THR   7           H        THR   7   6.091   0.886   0.858
   63    HA   THR   7           HA       THR   7   6.810   1.767   3.553
   64    HB   THR   7           HB       THR   7   8.481  -0.199   3.375
   65    HG1  THR   7           HG1      THR   7   8.557  -1.203   1.548
   66   1HG2  THR   7          1HG2      THR   7   5.510  -0.750   3.287
   67   2HG2  THR   7          2HG2      THR   7   6.733  -1.902   3.824
   68   3HG2  THR   7          3HG2      THR   7   6.479  -0.404   4.721
   69    H    LEU   8           H        LEU   8   8.246   1.759   0.287
   70    HA   LEU   8           HA       LEU   8   9.878   2.876  -0.801
   71   1HB   LEU   8          1HB       LEU   8  10.354   4.334   1.812
   72   2HB   LEU   8          2HB       LEU   8  11.448   4.536   0.460
   73    HG   LEU   8           HG       LEU   8   8.834   4.944  -0.604
   74   1HD1  LEU   8          1HD1      LEU   8   7.973   5.280   1.647
   75   2HD1  LEU   8          2HD1      LEU   8   9.196   6.514   1.945
   76   3HD1  LEU   8          3HD1      LEU   8   7.949   6.787   0.728
   77   1HD2  LEU   8          1HD2      LEU   8  10.964   6.964   0.097
   78   2HD2  LEU   8          2HD2      LEU   8  10.827   6.066  -1.414
   79   3HD2  LEU   8          3HD2      LEU   8   9.594   7.248  -0.977
   80    H    ASP   9           H        ASP   9  10.568   0.813   1.868
   81    HA   ASP   9           HA       ASP   9  13.406   0.421   1.571
   82   1HB   ASP   9          1HB       ASP   9  11.596  -0.195   3.548
   83   2HB   ASP   9          2HB       ASP   9  11.921  -1.777   2.851
   84    H    GLY  10           H        GLY  10  10.509  -1.297   0.315
   85   1HA   GLY  10          2HA       GLY  10  12.061  -3.376  -1.066
   86   2HA   GLY  10          1HA       GLY  10  11.231  -2.215  -2.079
   87    H    LYS  11           H        LYS  11   8.800  -1.912  -0.598
   88    HA   LYS  11           HA       LYS  11   7.355  -4.378  -1.273
   89   1HB   LYS  11          1HB       LYS  11   7.443  -3.193   1.489
   90   2HB   LYS  11          2HB       LYS  11   5.945  -3.920   0.932
   91   1HG   LYS  11          1HG       LYS  11   7.001  -6.048   0.664
   92   2HG   LYS  11          2HG       LYS  11   8.592  -5.352   0.986
   93   1HD   LYS  11          1HD       LYS  11   7.744  -4.685   3.248
   94   2HD   LYS  11          2HD       LYS  11   6.283  -5.615   2.908
   95   1HE   LYS  11          1HE       LYS  11   7.628  -7.627   2.627
   96   2HE   LYS  11          2HE       LYS  11   9.091  -6.697   2.950
   97   1HZ   LYS  11          1HZ       LYS  11   6.851  -7.019   4.870
   98   2HZ   LYS  11          2HZ       LYS  11   8.269  -7.939   4.895
   99   3HZ   LYS  11          3HZ       LYS  11   8.340  -6.272   5.168
  100    H    THR  12           H        THR  12   5.260  -4.118  -1.987
  101    HA   THR  12           HA       THR  12   3.839  -1.564  -1.851
  102    HB   THR  12           HB       THR  12   3.219  -1.786  -4.369
  103    HG1  THR  12           HG1      THR  12   4.642  -2.846  -5.675
  104   1HG2  THR  12          1HG2      THR  12   4.673   0.008  -3.283
  105   2HG2  THR  12          2HG2      THR  12   6.054  -0.895  -3.903
  106   3HG2  THR  12          3HG2      THR  12   4.862  -0.230  -5.020
  107    H    ILE  13           H        ILE  13   1.839  -1.911  -1.225
  108    HA   ILE  13           HA       ILE  13   0.112  -4.054  -2.137
  109    HB   ILE  13           HB       ILE  13  -0.601  -4.677   0.303
  110   1HG1  ILE  13          1HG1      ILE  13   2.158  -4.780   1.344
  111   2HG1  ILE  13          2HG1      ILE  13   1.663  -3.118   1.076
  112   1HG2  ILE  13          1HG2      ILE  13   1.839  -5.860  -1.005
  113   2HG2  ILE  13          2HG2      ILE  13   0.923  -6.635   0.289
  114   3HG2  ILE  13          3HG2      ILE  13   0.149  -6.304  -1.263
  115   1HD1  ILE  13          1HD1      ILE  13   0.010  -5.052   2.673
  116   2HD1  ILE  13          2HD1      ILE  13   1.285  -4.062   3.386
  117   3HD1  ILE  13          3HD1      ILE  13  -0.110  -3.292   2.624
  118    H    THR  14           H        THR  14  -2.054  -3.665  -2.025
  119    HA   THR  14           HA       THR  14  -2.951  -0.947  -1.474
  120    HB   THR  14           HB       THR  14  -5.226  -1.826  -2.297
  121    HG1  THR  14           HG1      THR  14  -5.332  -3.805  -3.176
  122   1HG2  THR  14          1HG2      THR  14  -3.369  -0.619  -3.672
  123   2HG2  THR  14          2HG2      THR  14  -3.246  -2.184  -4.479
  124   3HG2  THR  14          3HG2      THR  14  -4.785  -1.316  -4.459
  125    H    LEU  15           H        LEU  15  -4.482  -0.240  -0.033
  126    HA   LEU  15           HA       LEU  15  -5.289  -2.039   2.150
  127   1HB   LEU  15          1HB       LEU  15  -3.832   0.278   2.381
  128   2HB   LEU  15          2HB       LEU  15  -5.455   0.883   2.636
  129    HG   LEU  15           HG       LEU  15  -5.161  -1.474   4.267
  130   1HD1  LEU  15          1HD1      LEU  15  -2.717  -1.052   4.062
  131   2HD1  LEU  15          2HD1      LEU  15  -2.973   0.514   4.834
  132   3HD1  LEU  15          3HD1      LEU  15  -3.336  -0.973   5.711
  133   1HD2  LEU  15          1HD2      LEU  15  -6.670   0.373   4.770
  134   2HD2  LEU  15          2HD2      LEU  15  -5.588   0.048   6.124
  135   3HD2  LEU  15          3HD2      LEU  15  -5.291   1.430   5.071
  136    H    GLU  16           H        GLU  16  -7.179  -2.848   1.694
  137    HA   GLU  16           HA       GLU  16  -9.446  -1.173   0.809
  138   1HB   GLU  16          1HB       GLU  16  -8.385  -3.734  -0.288
  139   2HB   GLU  16          2HB       GLU  16 -10.132  -3.556  -0.244
  140   1HG   GLU  16          1HG       GLU  16  -9.637  -1.268  -1.421
  141   2HG   GLU  16          2HG       GLU  16  -8.103  -2.032  -1.830
  142    H    VAL  17           H        VAL  17 -11.498  -1.586   1.628
  143    HA   VAL  17           HA       VAL  17 -11.684  -2.980   4.179
  144    HB   VAL  17           HB       VAL  17 -14.096  -2.060   4.280
  145   1HG1  VAL  17          1HG1      VAL  17 -12.304  -1.196   5.629
  146   2HG1  VAL  17          2HG1      VAL  17 -11.794  -0.128   4.322
  147   3HG1  VAL  17          3HG1      VAL  17 -13.357   0.114   5.101
  148   1HG2  VAL  17          1HG2      VAL  17 -14.472  -1.342   1.946
  149   2HG2  VAL  17          2HG2      VAL  17 -14.619   0.019   3.057
  150   3HG2  VAL  17          3HG2      VAL  17 -13.158  -0.175   2.084

  No H/Q in entry =         150
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1 -13.974   1.402  -3.127
    2    H2   MET   1           H2       MET   1 -14.252   1.096  -1.488
    3    H3   MET   1           H3       MET   1 -14.922   2.468  -2.218
    4    HA   MET   1           HA       MET   1 -12.746   3.398  -2.586
    5   1HB   MET   1          1HB       MET   1 -14.154   3.232  -0.219
    6   2HB   MET   1          2HB       MET   1 -12.543   2.745   0.287
    7   1HG   MET   1          1HG       MET   1 -11.617   4.813  -0.234
    8   2HG   MET   1          2HG       MET   1 -12.950   5.251  -1.303
    9   1HE   MET   1          1HE       MET   1 -15.395   5.754  -0.430
   10   2HE   MET   1          2HE       MET   1 -15.465   6.964   0.853
   11   3HE   MET   1          3HE       MET   1 -14.415   7.217  -0.542
   12    H    GLN   2           H        GLN   2 -10.504   3.359  -2.490
   13    HA   GLN   2           HA       GLN   2  -9.062   0.931  -1.695
   14   1HB   GLN   2          1HB       GLN   2  -9.156   2.125  -4.433
   15   2HB   GLN   2          2HB       GLN   2  -7.577   1.610  -3.858
   16   1HG   GLN   2          1HG       GLN   2  -8.153  -0.613  -3.838
   17   2HG   GLN   2          2HG       GLN   2  -9.873  -0.282  -3.649
   18   2HE2  GLN   2          2HE2      GLN   2  -7.223  -0.595  -5.939
   19   1HE2  GLN   2          1HE2      GLN   2  -8.208  -0.601  -7.357
   20    H    ILE   3           H        ILE   3  -7.330   1.291  -0.490
   21    HA   ILE   3           HA       ILE   3  -6.094   3.943  -0.401
   22    HB   ILE   3           HB       ILE   3  -7.772   3.539   1.456
   23   1HG1  ILE   3          1HG1      ILE   3  -5.595   4.265   3.185
   24   2HG1  ILE   3          2HG1      ILE   3  -5.230   4.858   1.575
   25   1HG2  ILE   3          1HG2      ILE   3  -5.863   1.487   2.487
   26   2HG2  ILE   3          2HG2      ILE   3  -6.861   2.428   3.600
   27   3HG2  ILE   3          3HG2      ILE   3  -7.621   1.439   2.353
   28   1HD1  ILE   3          1HD1      ILE   3  -7.748   5.714   1.746
   29   2HD1  ILE   3          2HD1      ILE   3  -7.348   5.684   3.464
   30   3HD1  ILE   3          3HD1      ILE   3  -6.375   6.644   2.349
   31    H    PHE   4           H        PHE   4  -4.063   3.951  -0.979
   32    HA   PHE   4           HA       PHE   4  -2.389   1.530  -0.869
   33   1HB   PHE   4          1HB       PHE   4  -2.770   3.689  -2.849
   34   2HB   PHE   4          2HB       PHE   4  -1.093   3.255  -2.590
   35    HD1  PHE   4           HD1      PHE   4  -4.493   1.999  -3.922
   36    HD2  PHE   4           HD2      PHE   4  -0.097   1.089  -3.458
   37    HE1  PHE   4           HE1      PHE   4  -4.702   0.089  -5.646
   38    HE2  PHE   4           HE2      PHE   4  -0.327  -0.834  -5.177
   39    HZ   PHE   4           HZ       PHE   4  -2.622  -1.332  -6.278
   40    H    VAL   5           H        VAL   5  -0.327   1.475  -0.104
   41    HA   VAL   5           HA       VAL   5   0.954   3.826   1.083
   42    HB   VAL   5           HB       VAL   5   1.711   2.415   3.128
   43   1HG1  VAL   5          1HG1      VAL   5   0.253   4.380   3.218
   44   2HG1  VAL   5          2HG1      VAL   5  -1.153   3.325   3.077
   45   3HG1  VAL   5          3HG1      VAL   5  -0.098   3.205   4.485
   46   1HG2  VAL   5          1HG2      VAL   5  -0.804   0.808   2.540
   47   2HG2  VAL   5          2HG2      VAL   5   0.843   0.184   2.630
   48   3HG2  VAL   5          3HG2      VAL   5   0.055   0.811   4.080
   49    H    LYS   6           H        LYS   6   3.087   4.000   0.813
   50    HA   LYS   6           HA       LYS   6   4.619   1.760  -0.355
   51   1HB   LYS   6          1HB       LYS   6   3.947   4.072  -1.647
   52   2HB   LYS   6          2HB       LYS   6   5.516   4.512  -0.991
   53   1HG   LYS   6          1HG       LYS   6   6.647   2.929  -2.257
   54   2HG   LYS   6          2HG       LYS   6   5.207   1.946  -2.509
   55   1HD   LYS   6          1HD       LYS   6   4.441   3.243  -4.244
   56   2HD   LYS   6          2HD       LYS   6   5.228   4.708  -3.657
   57   1HE   LYS   6          1HE       LYS   6   7.354   3.977  -4.449
   58   2HE   LYS   6          2HE       LYS   6   6.738   2.360  -4.793
   59   1HZ   LYS   6          1HZ       LYS   6   5.892   4.849  -6.177
   60   2HZ   LYS   6          2HZ       LYS   6   6.958   3.694  -6.803
   61   3HZ   LYS   6          3HZ       LYS   6   5.341   3.286  -6.522
   62    H    THR   7           H        THR   7   6.722   1.392   0.212
   63    HA   THR   7           HA       THR   7   7.907   2.806   2.535
   64    HB   THR   7           HB       THR   7   9.099   0.551   2.985
   65    HG1  THR   7           HG1      THR   7   8.583  -0.779   1.373
   66   1HG2  THR   7          1HG2      THR   7   6.238   1.146   3.624
   67   2HG2  THR   7          2HG2      THR   7   6.953  -0.380   4.147
   68   3HG2  THR   7          3HG2      THR   7   7.650   1.152   4.681
   69    H    LEU   8           H        LEU   8  10.127   3.180   2.600
   70    HA   LEU   8           HA       LEU   8  11.539   3.682   0.165
   71   1HB   LEU   8          1HB       LEU   8  11.962   4.139   3.045
   72   2HB   LEU   8          2HB       LEU   8  13.444   3.944   2.135
   73    HG   LEU   8           HG       LEU   8  11.850   5.772   0.628
   74   1HD1  LEU   8          1HD1      LEU   8  11.849   6.486   3.556
   75   2HD1  LEU   8          2HD1      LEU   8  11.526   7.622   2.245
   76   3HD1  LEU   8          3HD1      LEU   8  10.448   6.250   2.510
   77   1HD2  LEU   8          1HD2      LEU   8  14.307   5.759   0.779
   78   2HD2  LEU   8          2HD2      LEU   8  13.619   7.358   1.058
   79   3HD2  LEU   8          3HD2      LEU   8  14.195   6.395   2.420
   80    H    ASP   9           H        ASP   9  11.468   0.820   2.148
   81    HA   ASP   9           HA       ASP   9  14.026  -0.364   1.558
   82   1HB   ASP   9          1HB       ASP   9  11.543  -1.255   2.948
   83   2HB   ASP   9          2HB       ASP   9  12.622  -2.510   2.354
   84    H    GLY  10           H        GLY  10  10.777  -0.655   0.071
   85   1HA   GLY  10          2HA       GLY  10  11.842  -2.330  -2.142
   86   2HA   GLY  10          1HA       GLY  10  10.735  -0.995  -2.398
   87    H    LYS  11           H        LYS  11   8.734  -1.305  -0.614
   88    HA   LYS  11           HA       LYS  11   7.369  -3.790  -1.411
   89   1HB   LYS  11          1HB       LYS  11   8.039  -2.998   1.350
   90   2HB   LYS  11          2HB       LYS  11   6.339  -3.361   1.131
   91   1HG   LYS  11          1HG       LYS  11   6.756  -5.528   1.303
   92   2HG   LYS  11          2HG       LYS  11   7.768  -5.465  -0.132
   93   1HD   LYS  11          1HD       LYS  11   9.553  -5.974   1.115
   94   2HD   LYS  11          2HD       LYS  11   9.371  -4.468   2.004
   95   1HE   LYS  11          1HE       LYS  11   9.292  -5.953   3.739
   96   2HE   LYS  11          2HE       LYS  11   7.574  -5.896   3.346
   97   1HZ   LYS  11          1HZ       LYS  11   9.468  -7.938   2.306
   98   2HZ   LYS  11          2HZ       LYS  11   8.451  -8.170   3.639
   99   3HZ   LYS  11          3HZ       LYS  11   7.788  -7.918   2.103
  100    H    THR  12           H        THR  12   5.187  -3.671  -1.797
  101    HA   THR  12           HA       THR  12   3.666  -1.194  -1.344
  102    HB   THR  12           HB       THR  12   2.621  -1.524  -3.705
  103    HG1  THR  12           HG1      THR  12   3.593  -3.357  -4.445
  104   1HG2  THR  12          1HG2      THR  12   3.912   0.461  -3.098
  105   2HG2  THR  12          2HG2      THR  12   5.412  -0.386  -3.474
  106   3HG2  THR  12          3HG2      THR  12   4.256  -0.028  -4.757
  107    H    ILE  13           H        ILE  13   1.684  -1.510  -0.576
  108    HA   ILE  13           HA       ILE  13   0.063  -3.874  -1.081
  109    HB   ILE  13           HB       ILE  13  -0.490  -4.219   1.412
  110   1HG1  ILE  13          1HG1      ILE  13   2.236  -3.751   2.432
  111   2HG1  ILE  13          2HG1      ILE  13   1.511  -2.240   1.911
  112   1HG2  ILE  13          1HG2      ILE  13   2.115  -5.209   0.275
  113   2HG2  ILE  13          2HG2      ILE  13   1.305  -5.906   1.678
  114   3HG2  ILE  13          3HG2      ILE  13   0.515  -5.931   0.101
  115   1HD1  ILE  13          1HD1      ILE  13   0.154  -4.128   3.814
  116   2HD1  ILE  13          2HD1      ILE  13   1.221  -2.824   4.336
  117   3HD1  ILE  13          3HD1      ILE  13  -0.267  -2.450   3.464
  118    H    THR  14           H        THR  14  -2.114  -3.637  -0.926
  119    HA   THR  14           HA       THR  14  -3.216  -1.074   0.003
  120    HB   THR  14           HB       THR  14  -3.194  -0.878  -2.413
  121    HG1  THR  14           HG1      THR  14  -5.195  -0.119  -2.607
  122   1HG2  THR  14          1HG2      THR  14  -3.349  -3.316  -3.086
  123   2HG2  THR  14          2HG2      THR  14  -5.081  -3.227  -2.762
  124   3HG2  THR  14          3HG2      THR  14  -4.367  -2.213  -4.018
  125    H    LEU  15           H        LEU  15  -5.275  -0.976   0.884
  126    HA   LEU  15           HA       LEU  15  -6.540  -3.483   1.785
  127   1HB   LEU  15          1HB       LEU  15  -5.163  -1.776   3.405
  128   2HB   LEU  15          2HB       LEU  15  -6.781  -1.121   3.549
  129    HG   LEU  15           HG       LEU  15  -6.951  -3.990   3.887
  130   1HD1  LEU  15          1HD1      LEU  15  -4.907  -2.699   5.685
  131   2HD1  LEU  15          2HD1      LEU  15  -5.636  -4.285   5.933
  132   3HD1  LEU  15          3HD1      LEU  15  -4.620  -3.993   4.522
  133   1HD2  LEU  15          1HD2      LEU  15  -8.492  -2.236   4.796
  134   2HD2  LEU  15          2HD2      LEU  15  -8.008  -3.474   5.956
  135   3HD2  LEU  15          3HD2      LEU  15  -7.265  -1.876   6.010
  136    H    GLU  16           H        GLU  16  -8.707  -3.683   1.648
  137    HA   GLU  16           HA       GLU  16 -10.383  -1.425   0.733
  138   1HB   GLU  16          1HB       GLU  16 -10.033  -4.148  -0.442
  139   2HB   GLU  16          2HB       GLU  16 -11.647  -3.456  -0.478
  140   1HG   GLU  16          1HG       GLU  16 -10.501  -1.393  -1.532
  141   2HG   GLU  16          2HG       GLU  16  -9.151  -2.483  -1.829
  142    H    VAL  17           H        VAL  17 -12.473  -1.246   1.461
  143    HA   VAL  17           HA       VAL  17 -13.320  -2.948   3.718
  144    HB   VAL  17           HB       VAL  17 -14.917  -1.014   4.354
  145   1HG1  VAL  17          1HG1      VAL  17 -11.954  -0.702   4.734
  146   2HG1  VAL  17          2HG1      VAL  17 -13.192   0.115   5.687
  147   3HG1  VAL  17          3HG1      VAL  17 -13.068  -1.643   5.725
  148   1HG2  VAL  17          1HG2      VAL  17 -14.583   0.436   2.304
  149   2HG2  VAL  17          2HG2      VAL  17 -14.362   1.275   3.841
  150   3HG2  VAL  17          3HG2      VAL  17 -12.958   0.787   2.892

  No H/Q in entry =         150
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1 -13.939   1.250  -2.860
    2    H2   MET   1           H2       MET   1 -14.209   0.944  -1.218
    3    H3   MET   1           H3       MET   1 -14.893   2.307  -1.948
    4    HA   MET   1           HA       MET   1 -12.752   3.282  -2.302
    5   1HB   MET   1          1HB       MET   1 -14.088   3.005   0.101
    6   2HB   MET   1          2HB       MET   1 -12.450   2.550   0.542
    7   1HG   MET   1          1HG       MET   1 -11.612   4.649   0.158
    8   2HG   MET   1          2HG       MET   1 -12.879   5.068  -0.994
    9   1HE   MET   1          1HE       MET   1 -11.872   4.479   2.618
   10   2HE   MET   1          2HE       MET   1 -11.616   6.208   2.373
   11   3HE   MET   1          3HE       MET   1 -12.841   5.653   3.514
   12    H    GLN   2           H        GLN   2 -10.513   3.282  -2.272
   13    HA   GLN   2           HA       GLN   2  -9.001   0.862  -1.588
   14   1HB   GLN   2          1HB       GLN   2  -9.203   2.129  -4.287
   15   2HB   GLN   2          2HB       GLN   2  -7.594   1.642  -3.773
   16   1HG   GLN   2          1HG       GLN   2  -8.123  -0.600  -3.771
   17   2HG   GLN   2          2HG       GLN   2  -9.848  -0.304  -3.571
   18   2HE2  GLN   2          2HE2      GLN   2  -7.197  -0.516  -5.874
   19   1HE2  GLN   2          1HE2      GLN   2  -8.188  -0.514  -7.289
   20    H    ILE   3           H        ILE   3  -7.243   1.226  -0.422
   21    HA   ILE   3           HA       ILE   3  -6.065   3.902  -0.292
   22    HB   ILE   3           HB       ILE   3  -7.673   3.404   1.603
   23   1HG1  ILE   3          1HG1      ILE   3  -5.454   4.135   3.279
   24   2HG1  ILE   3          2HG1      ILE   3  -5.164   4.786   1.675
   25   1HG2  ILE   3          1HG2      ILE   3  -5.682   1.373   2.513
   26   2HG2  ILE   3          2HG2      ILE   3  -6.665   2.256   3.684
   27   3HG2  ILE   3          3HG2      ILE   3  -7.441   1.283   2.435
   28   1HD1  ILE   3          1HD1      ILE   3  -7.715   5.550   1.993
   29   2HD1  ILE   3          2HD1      ILE   3  -7.198   5.518   3.680
   30   3HD1  ILE   3          3HD1      ILE   3  -6.334   6.518   2.511
   31    H    PHE   4           H        PHE   4  -4.058   3.979  -0.933
   32    HA   PHE   4           HA       PHE   4  -2.304   1.609  -0.908
   33   1HB   PHE   4          1HB       PHE   4  -2.816   3.773  -2.866
   34   2HB   PHE   4          2HB       PHE   4  -1.127   3.350  -2.681
   35    HD1  PHE   4           HD1      PHE   4  -4.582   2.046  -3.843
   36    HD2  PHE   4           HD2      PHE   4  -0.148   1.232  -3.640
   37    HE1  PHE   4           HE1      PHE   4  -4.846   0.150  -5.576
   38    HE2  PHE   4           HE2      PHE   4  -0.431  -0.675  -5.366
   39    HZ   PHE   4           HZ       PHE   4  -2.775  -1.215  -6.342
   40    H    VAL   5           H        VAL   5  -0.248   1.618  -0.153
   41    HA   VAL   5           HA       VAL   5   1.048   4.014   0.897
   42    HB   VAL   5           HB       VAL   5   1.767   2.759   3.056
   43   1HG1  VAL   5          1HG1      VAL   5   0.358   4.762   2.973
   44   2HG1  VAL   5          2HG1      VAL   5  -1.073   3.733   2.917
   45   3HG1  VAL   5          3HG1      VAL   5  -0.023   3.707   4.333
   46   1HG2  VAL   5          1HG2      VAL   5   0.726   0.514   2.568
   47   2HG2  VAL   5          2HG2      VAL   5   0.260   1.199   4.126
   48   3HG2  VAL   5          3HG2      VAL   5  -0.862   1.262   2.767
   49    H    LYS   6           H        LYS   6   3.179   4.123   0.615
   50    HA   LYS   6           HA       LYS   6   4.661   1.766  -0.376
   51   1HB   LYS   6          1HB       LYS   6   4.060   4.015  -1.813
   52   2HB   LYS   6          2HB       LYS   6   5.642   4.442  -1.183
   53   1HG   LYS   6          1HG       LYS   6   6.710   2.703  -2.319
   54   2HG   LYS   6          2HG       LYS   6   5.209   1.815  -2.572
   55   1HD   LYS   6          1HD       LYS   6   4.581   3.092  -4.377
   56   2HD   LYS   6          2HD       LYS   6   5.450   4.523  -3.821
   57   1HE   LYS   6          1HE       LYS   6   7.537   3.638  -4.535
   58   2HE   LYS   6          2HE       LYS   6   6.840   2.042  -4.815
   59   1HZ   LYS   6          1HZ       LYS   6   5.499   3.004  -6.601
   60   2HZ   LYS   6          2HZ       LYS   6   6.227   4.510  -6.350
   61   3HZ   LYS   6          3HZ       LYS   6   7.153   3.203  -6.892
   62    H    THR   7           H        THR   7   6.746   1.375   0.230
   63    HA   THR   7           HA       THR   7   7.948   2.884   2.484
   64    HB   THR   7           HB       THR   7   9.120   0.638   3.026
   65    HG1  THR   7           HG1      THR   7   8.448  -0.511   1.179
   66   1HG2  THR   7          1HG2      THR   7   6.257   1.269   3.624
   67   2HG2  THR   7          2HG2      THR   7   6.967  -0.233   4.215
   68   3HG2  THR   7          3HG2      THR   7   7.662   1.318   4.688
   69    H    LEU   8           H        LEU   8  10.171   3.241   2.543
   70    HA   LEU   8           HA       LEU   8  11.588   3.648   0.098
   71   1HB   LEU   8          1HB       LEU   8  12.164   4.058   2.994
   72   2HB   LEU   8          2HB       LEU   8  13.524   4.083   1.890
   73    HG   LEU   8           HG       LEU   8  11.452   5.768   0.780
   74   1HD1  LEU   8          1HD1      LEU   8  10.594   5.948   3.073
   75   2HD1  LEU   8          2HD1      LEU   8  12.167   6.547   3.599
   76   3HD1  LEU   8          3HD1      LEU   8  11.207   7.480   2.451
   77   1HD2  LEU   8          1HD2      LEU   8  13.827   6.017   0.302
   78   2HD2  LEU   8          2HD2      LEU   8  13.143   7.519   0.920
   79   3HD2  LEU   8          3HD2      LEU   8  14.125   6.499   1.972
   80    H    ASP   9           H        ASP   9  11.475   0.830   2.128
   81    HA   ASP   9           HA       ASP   9  14.027  -0.388   1.575
   82   1HB   ASP   9          1HB       ASP   9  11.546  -1.214   2.998
   83   2HB   ASP   9          2HB       ASP   9  12.586  -2.503   2.409
   84    H    GLY  10           H        GLY  10  10.758  -0.722   0.120
   85   1HA   GLY  10          2HA       GLY  10  11.814  -2.439  -2.066
   86   2HA   GLY  10          1HA       GLY  10  10.724  -1.096  -2.355
   87    H    LYS  11           H        LYS  11   8.701  -1.309  -0.630
   88    HA   LYS  11           HA       LYS  11   7.322  -3.826  -1.307
   89   1HB   LYS  11          1HB       LYS  11   7.658  -2.691   1.463
   90   2HB   LYS  11          2HB       LYS  11   6.206  -3.591   1.068
   91   1HG   LYS  11          1HG       LYS  11   7.236  -5.551   1.310
   92   2HG   LYS  11          2HG       LYS  11   8.550  -5.084   0.243
   93   1HD   LYS  11          1HD       LYS  11   9.929  -5.051   2.004
   94   2HD   LYS  11          2HD       LYS  11   9.031  -3.694   2.668
   95   1HE   LYS  11          1HE       LYS  11   7.447  -5.581   3.579
   96   2HE   LYS  11          2HE       LYS  11   8.861  -6.605   3.338
   97   1HZ   LYS  11          1HZ       LYS  11  10.116  -4.968   4.711
   98   2HZ   LYS  11          2HZ       LYS  11   8.649  -4.203   5.063
   99   3HZ   LYS  11          3HZ       LYS  11   8.909  -5.800   5.554
  100    H    THR  12           H        THR  12   5.129  -3.707  -1.703
  101    HA   THR  12           HA       THR  12   3.638  -1.194  -1.391
  102    HB   THR  12           HB       THR  12   2.586  -1.627  -3.729
  103    HG1  THR  12           HG1      THR  12   3.593  -2.941  -5.064
  104   1HG2  THR  12          1HG2      THR  12   5.330  -0.443  -3.354
  105   2HG2  THR  12          2HG2      THR  12   4.452  -0.338  -4.881
  106   3HG2  THR  12          3HG2      THR  12   3.778   0.391  -3.423
  107    H    ILE  13           H        ILE  13   1.664  -1.453  -0.584
  108    HA   ILE  13           HA       ILE  13   0.040  -3.847  -0.949
  109    HB   ILE  13           HB       ILE  13  -0.509  -4.044   1.553
  110   1HG1  ILE  13          1HG1      ILE  13   2.196  -3.442   2.562
  111   2HG1  ILE  13          2HG1      ILE  13   1.437  -1.987   1.939
  112   1HG2  ILE  13          1HG2      ILE  13   2.111  -5.048   0.466
  113   2HG2  ILE  13          2HG2      ILE  13   1.367  -5.644   1.950
  114   3HG2  ILE  13          3HG2      ILE  13   0.532  -5.832   0.406
  115   1HD1  ILE  13          1HD1      ILE  13   0.135  -3.788   3.964
  116   2HD1  ILE  13          2HD1      ILE  13   1.132  -2.395   4.387
  117   3HD1  ILE  13          3HD1      ILE  13  -0.365  -2.166   3.481
  118    H    THR  14           H        THR  14  -2.141  -3.611  -0.799
  119    HA   THR  14           HA       THR  14  -3.272  -1.032   0.025
  120    HB   THR  14           HB       THR  14  -3.170  -0.837  -2.389
  121    HG1  THR  14           HG1      THR  14  -5.848  -1.241  -1.539
  122   1HG2  THR  14          1HG2      THR  14  -3.270  -3.225  -3.128
  123   2HG2  THR  14          2HG2      THR  14  -4.996  -3.237  -2.752
  124   3HG2  THR  14          3HG2      THR  14  -4.373  -2.171  -4.013
  125    H    LEU  15           H        LEU  15  -5.330  -0.944   0.877
  126    HA   LEU  15           HA       LEU  15  -6.592  -3.467   1.746
  127   1HB   LEU  15          1HB       LEU  15  -5.303  -1.715   3.383
  128   2HB   LEU  15          2HB       LEU  15  -6.933  -1.080   3.461
  129    HG   LEU  15           HG       LEU  15  -7.101  -3.936   3.842
  130   1HD1  LEU  15          1HD1      LEU  15  -4.723  -3.805   4.504
  131   2HD1  LEU  15          2HD1      LEU  15  -5.171  -2.666   5.774
  132   3HD1  LEU  15          3HD1      LEU  15  -5.790  -4.317   5.812
  133   1HD2  LEU  15          1HD2      LEU  15  -8.674  -2.222   4.707
  134   2HD2  LEU  15          2HD2      LEU  15  -8.149  -3.381   5.927
  135   3HD2  LEU  15          3HD2      LEU  15  -7.457  -1.759   5.898
  136    H    GLU  16           H        GLU  16  -8.750  -3.716   1.575
  137    HA   GLU  16           HA       GLU  16 -10.452  -1.527   0.553
  138   1HB   GLU  16          1HB       GLU  16 -10.018  -4.279  -0.516
  139   2HB   GLU  16          2HB       GLU  16 -11.647  -3.631  -0.604
  140   1HG   GLU  16          1HG       GLU  16 -10.650  -1.618  -1.770
  141   2HG   GLU  16          2HG       GLU  16  -9.147  -2.530  -1.876
  142    H    VAL  17           H        VAL  17 -12.554  -1.360   1.245
  143    HA   VAL  17           HA       VAL  17 -13.502  -3.143   3.403
  144    HB   VAL  17           HB       VAL  17 -14.870  -1.142   4.304
  145   1HG1  VAL  17          1HG1      VAL  17 -12.953  -2.221   5.424
  146   2HG1  VAL  17          2HG1      VAL  17 -11.897  -1.000   4.713
  147   3HG1  VAL  17          3HG1      VAL  17 -13.164  -0.521   5.843
  148   1HG2  VAL  17          1HG2      VAL  17 -14.439   0.540   2.504
  149   2HG2  VAL  17          2HG2      VAL  17 -13.984   1.121   4.106
  150   3HG2  VAL  17          3HG2      VAL  17 -12.741   0.576   2.977

  No H/Q in entry =         150
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1 -13.687   0.520   0.732
    2    H2   MET   1           H2       MET   1 -14.822   1.660   0.205
    3    H3   MET   1           H3       MET   1 -14.052   0.653  -0.913
    4    HA   MET   1           HA       MET   1 -13.112   2.851  -1.002
    5   1HB   MET   1          1HB       MET   1 -13.628   2.840   1.707
    6   2HB   MET   1          2HB       MET   1 -11.881   2.680   1.681
    7   1HG   MET   1          1HG       MET   1 -11.555   4.787   0.907
    8   2HG   MET   1          2HG       MET   1 -13.058   4.810  -0.016
    9   1HE   MET   1          1HE       MET   1 -11.287   5.074   3.261
   10   2HE   MET   1          2HE       MET   1 -11.510   6.784   2.887
   11   3HE   MET   1          3HE       MET   1 -12.319   6.075   4.285
   12    H    GLN   2           H        GLN   2 -11.044   3.121  -1.755
   13    HA   GLN   2           HA       GLN   2  -8.993   1.073  -1.266
   14   1HB   GLN   2          1HB       GLN   2 -10.390   1.164  -3.636
   15   2HB   GLN   2          2HB       GLN   2  -9.009   2.175  -4.015
   16   1HG   GLN   2          1HG       GLN   2  -8.345  -0.393  -2.736
   17   2HG   GLN   2          2HG       GLN   2  -9.093  -0.516  -4.324
   18   2HE2  GLN   2          2HE2      GLN   2  -7.963   0.277  -6.167
   19   1HE2  GLN   2          1HE2      GLN   2  -6.279   0.650  -6.085
   20    H    ILE   3           H        ILE   3  -7.077   1.808  -0.704
   21    HA   ILE   3           HA       ILE   3  -5.975   4.362  -1.511
   22    HB   ILE   3           HB       ILE   3  -5.268   4.972   0.916
   23   1HG1  ILE   3          1HG1      ILE   3  -7.810   4.234   2.184
   24   2HG1  ILE   3          2HG1      ILE   3  -6.976   2.782   1.660
   25   1HG2  ILE   3          1HG2      ILE   3  -6.755   6.254  -0.614
   26   2HG2  ILE   3          2HG2      ILE   3  -8.140   5.504   0.178
   27   3HG2  ILE   3          3HG2      ILE   3  -7.052   6.540   1.102
   28   1HD1  ILE   3          1HD1      ILE   3  -5.542   4.852   3.273
   29   2HD1  ILE   3          2HD1      ILE   3  -6.593   3.662   4.040
   30   3HD1  ILE   3          3HD1      ILE   3  -5.197   3.131   3.102
   31    H    PHE   4           H        PHE   4  -3.965   4.215  -2.028
   32    HA   PHE   4           HA       PHE   4  -2.418   1.784  -1.594
   33   1HB   PHE   4          1HB       PHE   4  -2.414   4.047  -3.507
   34   2HB   PHE   4          2HB       PHE   4  -0.832   3.389  -3.152
   35    HD1  PHE   4           HD1      PHE   4  -4.311   2.523  -4.665
   36    HD2  PHE   4           HD2      PHE   4   0.002   1.297  -4.184
   37    HE1  PHE   4           HE1      PHE   4  -4.607   0.752  -6.520
   38    HE2  PHE   4           HE2      PHE   4  -0.302  -0.467  -6.057
   39    HZ   PHE   4           HZ       PHE   4  -2.602  -0.739  -7.230
   40    H    VAL   5           H        VAL   5  -0.398   1.561  -0.678
   41    HA   VAL   5           HA       VAL   5   0.967   3.786   0.632
   42    HB   VAL   5           HB       VAL   5   1.386   2.363   2.763
   43   1HG1  VAL   5          1HG1      VAL   5   0.133   4.464   2.683
   44   2HG1  VAL   5          2HG1      VAL   5  -1.353   3.552   2.422
   45   3HG1  VAL   5          3HG1      VAL   5  -0.456   3.362   3.928
   46   1HG2  VAL   5          1HG2      VAL   5   0.195   0.245   1.970
   47   2HG2  VAL   5          2HG2      VAL   5  -0.242   0.816   3.580
   48   3HG2  VAL   5          3HG2      VAL   5  -1.321   1.110   2.214
   49    H    LYS   6           H        LYS   6   3.108   3.769   0.519
   50    HA   LYS   6           HA       LYS   6   4.618   1.333  -0.197
   51   1HB   LYS   6          1HB       LYS   6   4.044   3.333  -2.025
   52   2HB   LYS   6          2HB       LYS   6   5.631   3.808  -1.449
   53   1HG   LYS   6          1HG       LYS   6   6.489   1.567  -2.050
   54   2HG   LYS   6          2HG       LYS   6   4.900   1.153  -2.684
   55   1HD   LYS   6          1HD       LYS   6   5.418   2.053  -4.661
   56   2HD   LYS   6          2HD       LYS   6   5.688   3.624  -3.917
   57   1HE   LYS   6          1HE       LYS   6   8.013   3.094  -3.534
   58   2HE   LYS   6          2HE       LYS   6   7.768   1.439  -4.093
   59   1HZ   LYS   6          1HZ       LYS   6   7.436   3.872  -5.765
   60   2HZ   LYS   6          2HZ       LYS   6   8.784   2.850  -5.790
   61   3HZ   LYS   6          3HZ       LYS   6   7.275   2.272  -6.292
   62    H    THR   7           H        THR   7   6.706   1.131   0.573
   63    HA   THR   7           HA       THR   7   7.714   3.145   2.477
   64    HB   THR   7           HB       THR   7   6.957   1.216   3.764
   65    HG1  THR   7           HG1      THR   7   9.782   1.416   3.748
   66   1HG2  THR   7          1HG2      THR   7   8.786  -0.497   2.088
   67   2HG2  THR   7          2HG2      THR   7   8.355  -0.959   3.734
   68   3HG2  THR   7          3HG2      THR   7   7.096  -0.773   2.513
   69    H    LEU   8           H        LEU   8  10.094   3.146   2.920
   70    HA   LEU   8           HA       LEU   8  11.670   3.655   0.588
   71   1HB   LEU   8          1HB       LEU   8  12.124   3.753   3.536
   72   2HB   LEU   8          2HB       LEU   8  13.531   3.787   2.493
   73    HG   LEU   8           HG       LEU   8  11.645   5.717   1.469
   74   1HD1  LEU   8          1HD1      LEU   8  10.633   5.776   3.679
   75   2HD1  LEU   8          2HD1      LEU   8  12.209   6.094   4.405
   76   3HD1  LEU   8          3HD1      LEU   8  11.480   7.283   3.325
   77   1HD2  LEU   8          1HD2      LEU   8  14.130   5.747   1.244
   78   2HD2  LEU   8          2HD2      LEU   8  13.424   7.285   1.738
   79   3HD2  LEU   8          3HD2      LEU   8  14.226   6.260   2.928
   80    H    ASP   9           H        ASP   9  11.353   0.740   2.521
   81    HA   ASP   9           HA       ASP   9  13.829  -0.593   1.915
   82   1HB   ASP   9          1HB       ASP   9  11.240  -1.502   3.162
   83   2HB   ASP   9          2HB       ASP   9  12.508  -2.659   2.776
   84    H    GLY  10           H        GLY  10  10.561  -0.706   0.438
   85   1HA   GLY  10          2HA       GLY  10  11.563  -2.351  -1.826
   86   2HA   GLY  10          1HA       GLY  10  10.423  -1.030  -2.007
   87    H    LYS  11           H        LYS  11   8.361  -1.292  -0.574
   88    HA   LYS  11           HA       LYS  11   7.152  -3.941  -1.081
   89   1HB   LYS  11          1HB       LYS  11   7.130  -2.454   1.540
   90   2HB   LYS  11          2HB       LYS  11   5.797  -3.504   1.118
   91   1HG   LYS  11          1HG       LYS  11   7.267  -5.415   1.045
   92   2HG   LYS  11          2HG       LYS  11   8.673  -4.378   1.314
   93   1HD   LYS  11          1HD       LYS  11   7.423  -3.652   3.478
   94   2HD   LYS  11          2HD       LYS  11   6.470  -5.114   3.223
   95   1HE   LYS  11          1HE       LYS  11   8.779  -6.288   3.061
   96   2HE   LYS  11          2HE       LYS  11   9.383  -4.824   3.840
   97   1HZ   LYS  11          1HZ       LYS  11   7.168  -6.462   4.938
   98   2HZ   LYS  11          2HZ       LYS  11   8.787  -6.667   5.384
   99   3HZ   LYS  11          3HZ       LYS  11   7.997  -5.205   5.708
  100    H    THR  12           H        THR  12   4.975  -3.966  -1.662
  101    HA   THR  12           HA       THR  12   3.428  -1.478  -1.798
  102    HB   THR  12           HB       THR  12   2.547  -2.254  -4.119
  103    HG1  THR  12           HG1      THR  12   5.078  -3.564  -4.096
  104   1HG2  THR  12          1HG2      THR  12   4.089  -0.242  -3.542
  105   2HG2  THR  12          2HG2      THR  12   5.355  -1.221  -4.284
  106   3HG2  THR  12          3HG2      THR  12   3.938  -0.755  -5.223
  107    H    ILE  13           H        ILE  13   1.511  -1.663  -0.938
  108    HA   ILE  13           HA       ILE  13  -0.135  -4.059  -1.081
  109    HB   ILE  13           HB       ILE  13  -0.702  -3.992   1.383
  110   1HG1  ILE  13          1HG1      ILE  13   0.347  -1.995   2.317
  111   2HG1  ILE  13          2HG1      ILE  13   0.990  -3.394   3.125
  112   1HG2  ILE  13          1HG2      ILE  13   0.562  -5.764   0.154
  113   2HG2  ILE  13          2HG2      ILE  13   2.022  -5.139   0.926
  114   3HG2  ILE  13          3HG2      ILE  13   0.697  -5.760   1.911
  115   1HD1  ILE  13          1HD1      ILE  13   3.054  -2.898   1.444
  116   2HD1  ILE  13          2HD1      ILE  13   2.383  -1.270   1.554
  117   3HD1  ILE  13          3HD1      ILE  13   2.894  -2.118   3.017
  118    H    THR  14           H        THR  14  -2.293  -3.742  -1.116
  119    HA   THR  14           HA       THR  14  -3.334  -0.982  -1.120
  120    HB   THR  14           HB       THR  14  -5.423  -2.037  -2.169
  121    HG1  THR  14           HG1      THR  14  -5.387  -4.157  -2.173
  122   1HG2  THR  14          1HG2      THR  14  -3.446  -0.878  -3.393
  123   2HG2  THR  14          2HG2      THR  14  -3.118  -2.505  -3.994
  124   3HG2  THR  14          3HG2      THR  14  -4.681  -1.749  -4.303
  125    H    LEU  15           H        LEU  15  -5.122  -0.278   0.018
  126    HA   LEU  15           HA       LEU  15  -6.045  -1.920   2.281
  127   1HB   LEU  15          1HB       LEU  15  -5.354   0.944   2.021
  128   2HB   LEU  15          2HB       LEU  15  -6.863   0.662   2.860
  129    HG   LEU  15           HG       LEU  15  -4.945  -1.146   3.995
  130   1HD1  LEU  15          1HD1      LEU  15  -3.879   1.665   3.806
  131   2HD1  LEU  15          2HD1      LEU  15  -3.277   0.427   4.909
  132   3HD1  LEU  15          3HD1      LEU  15  -3.136   0.200   3.165
  133   1HD2  LEU  15          1HD2      LEU  15  -6.897  -0.131   5.138
  134   2HD2  LEU  15          2HD2      LEU  15  -5.400  -0.006   6.060
  135   3HD2  LEU  15          3HD2      LEU  15  -6.025   1.400   5.197
  136    H    GLU  16           H        GLU  16  -7.719  -3.040   1.630
  137    HA   GLU  16           HA       GLU  16  -9.996  -1.779   0.232
  138   1HB   GLU  16          1HB       GLU  16  -8.513  -4.306  -0.328
  139   2HB   GLU  16          2HB       GLU  16 -10.250  -4.324  -0.590
  140   1HG   GLU  16          1HG       GLU  16  -9.745  -2.129  -1.955
  141   2HG   GLU  16          2HG       GLU  16  -8.119  -2.802  -2.033
  142    H    VAL  17           H        VAL  17 -12.084  -2.303   0.798
  143    HA   VAL  17           HA       VAL  17 -12.625  -4.158   3.014
  144    HB   VAL  17           HB       VAL  17 -14.398  -2.521   3.948
  145   1HG1  VAL  17          1HG1      VAL  17 -12.277  -3.239   5.042
  146   2HG1  VAL  17          2HG1      VAL  17 -11.551  -1.736   4.473
  147   3HG1  VAL  17          3HG1      VAL  17 -12.921  -1.688   5.582
  148   1HG2  VAL  17          1HG2      VAL  17 -14.178  -0.725   2.153
  149   2HG2  VAL  17          2HG2      VAL  17 -14.104  -0.146   3.819
  150   3HG2  VAL  17          3HG2      VAL  17 -12.625  -0.305   2.873

  No H/Q in entry =         150
  Start of MODEL   11
    1    H1   MET   1           H1       MET   1 -13.991   1.018  -1.248
    2    H2   MET   1           H2       MET   1 -13.797   0.762   0.413
    3    H3   MET   1           H3       MET   1 -14.807   2.001  -0.141
    4    HA   MET   1           HA       MET   1 -12.950   3.187  -1.063
    5   1HB   MET   1          1HB       MET   1 -13.621   2.917   1.609
    6   2HB   MET   1          2HB       MET   1 -11.883   2.665   1.642
    7   1HG   MET   1          1HG       MET   1 -11.912   4.906   1.936
    8   2HG   MET   1          2HG       MET   1 -11.916   4.883   0.174
    9   1HE   MET   1          1HE       MET   1 -13.991   5.141   3.395
   10   2HE   MET   1          2HE       MET   1 -13.443   6.776   3.020
   11   3HE   MET   1          3HE       MET   1 -15.164   6.391   2.977
   12    H    GLN   2           H        GLN   2 -10.804   3.417  -1.624
   13    HA   GLN   2           HA       GLN   2  -8.892   1.227  -1.213
   14   1HB   GLN   2          1HB       GLN   2 -10.007   2.056  -3.788
   15   2HB   GLN   2          2HB       GLN   2  -8.258   2.212  -3.764
   16   1HG   GLN   2          1HG       GLN   2  -7.971  -0.100  -3.283
   17   2HG   GLN   2          2HG       GLN   2  -9.698  -0.315  -2.999
   18   2HE2  GLN   2          2HE2      GLN   2  -7.188   0.015  -5.436
   19   1HE2  GLN   2          1HE2      GLN   2  -8.178  -0.432  -6.780
   20    H    ILE   3           H        ILE   3  -6.944   1.803  -0.573
   21    HA   ILE   3           HA       ILE   3  -5.759   4.408  -1.056
   22    HB   ILE   3           HB       ILE   3  -5.065   4.647   1.452
   23   1HG1  ILE   3          1HG1      ILE   3  -7.669   3.865   2.550
   24   2HG1  ILE   3          2HG1      ILE   3  -6.893   2.459   1.843
   25   1HG2  ILE   3          1HG2      ILE   3  -6.344   6.283   0.212
   26   2HG2  ILE   3          2HG2      ILE   3  -7.839   5.408   0.544
   27   3HG2  ILE   3          3HG2      ILE   3  -6.947   6.165   1.865
   28   1HD1  ILE   3          1HD1      ILE   3  -5.296   4.157   3.682
   29   2HD1  ILE   3          2HD1      ILE   3  -6.553   3.120   4.356
   30   3HD1  ILE   3          3HD1      ILE   3  -5.243   2.415   3.409
   31    H    PHE   4           H        PHE   4  -3.728   4.326  -1.514
   32    HA   PHE   4           HA       PHE   4  -2.183   1.844  -1.223
   33   1HB   PHE   4          1HB       PHE   4  -2.221   4.135  -3.152
   34   2HB   PHE   4          2HB       PHE   4  -0.701   3.295  -2.933
   35    HD1  PHE   4           HD1      PHE   4  -4.389   2.800  -4.120
   36    HD2  PHE   4           HD2      PHE   4  -0.180   1.182  -4.081
   37    HE1  PHE   4           HE1      PHE   4  -5.026   1.098  -5.955
   38    HE2  PHE   4           HE2      PHE   4  -0.832  -0.526  -5.919
   39    HZ   PHE   4           HZ       PHE   4  -3.250  -0.566  -6.864
   40    H    VAL   5           H        VAL   5  -0.119   1.702  -0.398
   41    HA   VAL   5           HA       VAL   5   1.246   4.009   0.797
   42    HB   VAL   5           HB       VAL   5   1.572   1.688   2.624
   43   1HG1  VAL   5          1HG1      VAL   5   2.470   3.961   3.016
   44   2HG1  VAL   5          2HG1      VAL   5   0.823   4.530   3.293
   45   3HG1  VAL   5          3HG1      VAL   5   1.534   3.328   4.369
   46   1HG2  VAL   5          1HG2      VAL   5  -0.938   1.502   2.256
   47   2HG2  VAL   5          2HG2      VAL   5  -0.422   1.752   3.923
   48   3HG2  VAL   5          3HG2      VAL   5  -1.080   3.099   2.991
   49    H    LYS   6           H        LYS   6   3.385   4.035   0.490
   50    HA   LYS   6           HA       LYS   6   4.841   1.630  -0.411
   51   1HB   LYS   6          1HB       LYS   6   4.103   3.642  -2.122
   52   2HB   LYS   6          2HB       LYS   6   5.700   4.188  -1.638
   53   1HG   LYS   6          1HG       LYS   6   6.753   2.299  -2.551
   54   2HG   LYS   6          2HG       LYS   6   5.245   1.392  -2.650
   55   1HD   LYS   6          1HD       LYS   6   4.544   2.485  -4.559
   56   2HD   LYS   6          2HD       LYS   6   5.504   3.927  -4.229
   57   1HE   LYS   6          1HE       LYS   6   7.510   2.852  -4.914
   58   2HE   LYS   6          2HE       LYS   6   6.730   1.271  -4.951
   59   1HZ   LYS   6          1HZ       LYS   6   5.964   3.521  -6.730
   60   2HZ   LYS   6          2HZ       LYS   6   7.070   2.317  -7.167
   61   3HZ   LYS   6          3HZ       LYS   6   5.461   1.909  -6.839
   62    H    THR   7           H        THR   7   6.975   1.394   0.128
   63    HA   THR   7           HA       THR   7   8.304   3.316   1.948
   64    HB   THR   7           HB       THR   7   9.400   1.227   3.027
   65    HG1  THR   7           HG1      THR   7   8.710  -0.615   2.336
   66   1HG2  THR   7          1HG2      THR   7   6.610   2.174   3.553
   67   2HG2  THR   7          2HG2      THR   7   7.283   0.846   4.499
   68   3HG2  THR   7          3HG2      THR   7   8.075   2.423   4.503
   69    H    LEU   8           H        LEU   8  10.543   3.539   1.816
   70    HA   LEU   8           HA       LEU   8  11.844   3.346  -0.680
   71   1HB   LEU   8          1HB       LEU   8  12.344   4.506   1.874
   72   2HB   LEU   8          2HB       LEU   8  13.790   3.634   1.418
   73    HG   LEU   8           HG       LEU   8  13.062   5.104  -0.902
   74   1HD1  LEU   8          1HD1      LEU   8  12.825   6.840   1.553
   75   2HD1  LEU   8          2HD1      LEU   8  13.051   7.444  -0.088
   76   3HD1  LEU   8          3HD1      LEU   8  11.591   6.547   0.327
   77   1HD2  LEU   8          1HD2      LEU   8  15.351   4.608  -0.166
   78   2HD2  LEU   8          2HD2      LEU   8  15.130   6.315  -0.551
   79   3HD2  LEU   8          3HD2      LEU   8  15.181   5.791   1.133
   80    H    ASP   9           H        ASP   9  11.636   0.863   1.742
   81    HA   ASP   9           HA       ASP   9  14.030  -0.651   1.204
   82   1HB   ASP   9          1HB       ASP   9  12.136  -0.664   3.234
   83   2HB   ASP   9          2HB       ASP   9  11.863  -2.197   2.415
   84    H    GLY  10           H        GLY  10  10.623  -0.908   0.080
   85   1HA   GLY  10          2HA       GLY  10  11.346  -3.007  -1.901
   86   2HA   GLY  10          1HA       GLY  10  10.335  -1.631  -2.304
   87    H    LYS  11           H        LYS  11   8.468  -1.386  -0.461
   88    HA   LYS  11           HA       LYS  11   6.878  -3.872  -0.503
   89   1HB   LYS  11          1HB       LYS  11   7.948  -2.589   1.839
   90   2HB   LYS  11          2HB       LYS  11   6.204  -2.423   1.877
   91   1HG   LYS  11          1HG       LYS  11   5.876  -4.576   2.404
   92   2HG   LYS  11          2HG       LYS  11   7.057  -5.152   1.237
   93   1HD   LYS  11          1HD       LYS  11   8.359  -5.714   2.985
   94   2HD   LYS  11          2HD       LYS  11   8.643  -3.995   3.234
   95   1HE   LYS  11          1HE       LYS  11   7.965  -4.670   5.339
   96   2HE   LYS  11          2HE       LYS  11   6.442  -4.121   4.648
   97   1HZ   LYS  11          1HZ       LYS  11   7.337  -6.956   4.705
   98   2HZ   LYS  11          2HZ       LYS  11   6.265  -6.267   5.818
   99   3HZ   LYS  11          3HZ       LYS  11   5.830  -6.384   4.187
  100    H    THR  12           H        THR  12   4.659  -3.674  -0.735
  101    HA   THR  12           HA       THR  12   3.339  -1.060  -0.894
  102    HB   THR  12           HB       THR  12   2.078  -1.887  -3.011
  103    HG1  THR  12           HG1      THR  12   2.813  -3.908  -3.374
  104   1HG2  THR  12          1HG2      THR  12   4.885  -0.816  -3.040
  105   2HG2  THR  12          2HG2      THR  12   3.970  -1.043  -4.531
  106   3HG2  THR  12          3HG2      THR  12   3.366   0.048  -3.284
  107    H    ILE  13           H        ILE  13   1.465  -1.024   0.141
  108    HA   ILE  13           HA       ILE  13  -0.139  -3.443   0.551
  109    HB   ILE  13           HB       ILE  13   1.430  -3.104   2.503
  110   1HG1  ILE  13          1HG1      ILE  13  -0.980  -3.049   4.105
  111   2HG1  ILE  13          2HG1      ILE  13  -1.323  -3.874   2.597
  112   1HG2  ILE  13          1HG2      ILE  13   1.518  -0.735   2.854
  113   2HG2  ILE  13          2HG2      ILE  13  -0.190  -0.685   3.290
  114   3HG2  ILE  13          3HG2      ILE  13   0.959  -1.528   4.330
  115   1HD1  ILE  13          1HD1      ILE  13   0.942  -4.581   4.447
  116   2HD1  ILE  13          2HD1      ILE  13  -0.631  -5.380   4.425
  117   3HD1  ILE  13          3HD1      ILE  13   0.425  -5.473   3.016
  118    H    THR  14           H        THR  14  -2.237  -3.239   0.153
  119    HA   THR  14           HA       THR  14  -3.538  -0.587  -0.093
  120    HB   THR  14           HB       THR  14  -5.175  -1.861  -1.677
  121    HG1  THR  14           HG1      THR  14  -2.877  -3.539  -1.873
  122   1HG2  THR  14          1HG2      THR  14  -3.379  -0.093  -2.248
  123   2HG2  THR  14          2HG2      THR  14  -2.517  -1.464  -2.953
  124   3HG2  THR  14          3HG2      THR  14  -4.131  -1.044  -3.529
  125    H    LEU  15           H        LEU  15  -5.655  -0.261   0.570
  126    HA   LEU  15           HA       LEU  15  -6.830  -2.261   2.392
  127   1HB   LEU  15          1HB       LEU  15  -6.214   0.451   2.851
  128   2HB   LEU  15          2HB       LEU  15  -7.950   0.430   2.636
  129    HG   LEU  15           HG       LEU  15  -7.317  -1.721   4.431
  130   1HD1  LEU  15          1HD1      LEU  15  -5.193  -0.616   4.899
  131   2HD1  LEU  15          2HD1      LEU  15  -6.050   0.868   5.312
  132   3HD1  LEU  15          3HD1      LEU  15  -6.265  -0.577   6.299
  133   1HD2  LEU  15          1HD2      LEU  15  -8.631   0.949   4.930
  134   2HD2  LEU  15          2HD2      LEU  15  -9.428  -0.556   4.470
  135   3HD2  LEU  15          3HD2      LEU  15  -8.653  -0.415   6.048
  136    H    GLU  16           H        GLU  16  -8.295  -3.440   1.422
  137    HA   GLU  16           HA       GLU  16 -10.263  -2.287  -0.455
  138   1HB   GLU  16          1HB       GLU  16  -8.416  -4.599  -0.816
  139   2HB   GLU  16          2HB       GLU  16 -10.043  -4.783  -1.457
  140   1HG   GLU  16          1HG       GLU  16  -9.674  -2.616  -2.698
  141   2HG   GLU  16          2HG       GLU  16  -7.986  -2.709  -2.201
  142    H    VAL  17           H        VAL  17 -12.356  -3.032  -0.433
  143    HA   VAL  17           HA       VAL  17 -13.238  -4.605   1.888
  144    HB   VAL  17           HB       VAL  17 -15.619  -3.788   1.283
  145   1HG1  VAL  17          1HG1      VAL  17 -14.205  -3.043   3.193
  146   2HG1  VAL  17          2HG1      VAL  17 -13.743  -1.645   2.224
  147   3HG1  VAL  17          3HG1      VAL  17 -15.432  -1.891   2.667
  148   1HG2  VAL  17          1HG2      VAL  17 -15.010  -2.759  -0.993
  149   2HG2  VAL  17          2HG2      VAL  17 -16.001  -1.771   0.078
  150   3HG2  VAL  17          3HG2      VAL  17 -14.275  -1.440  -0.084

  No H/Q in entry =         150
  Start of MODEL   12
    1    H1   MET   1           H1       MET   1 -13.462   0.125   0.065
    2    H2   MET   1           H2       MET   1 -14.644   1.294  -0.243
    3    H3   MET   1           H3       MET   1 -13.897   0.490  -1.530
    4    HA   MET   1           HA       MET   1 -12.869   2.524  -1.529
    5   1HB   MET   1          1HB       MET   1 -11.875   3.571   0.595
    6   2HB   MET   1          2HB       MET   1 -13.616   3.617   0.437
    7   1HG   MET   1          1HG       MET   1 -13.681   1.655   2.075
    8   2HG   MET   1          2HG       MET   1 -11.961   1.936   2.336
    9   1HE   MET   1          1HE       MET   1 -15.513   3.445   2.444
   10   2HE   MET   1          2HE       MET   1 -15.284   2.549   3.946
   11   3HE   MET   1          3HE       MET   1 -15.480   4.302   3.986
   12    H    GLN   2           H        GLN   2 -10.802   2.804  -2.146
   13    HA   GLN   2           HA       GLN   2  -8.722   0.926  -1.250
   14   1HB   GLN   2          1HB       GLN   2  -9.558   1.543  -4.058
   15   2HB   GLN   2          2HB       GLN   2  -7.843   1.301  -3.745
   16   1HG   GLN   2          1HG       GLN   2  -8.143  -0.917  -3.101
   17   2HG   GLN   2          2HG       GLN   2  -9.871  -0.706  -2.829
   18   2HE2  GLN   2          2HE2      GLN   2  -7.370  -1.277  -5.228
   19   1HE2  GLN   2          1HE2      GLN   2  -8.444  -1.669  -6.523
   20    H    ILE   3           H        ILE   3  -6.885   1.741  -0.605
   21    HA   ILE   3           HA       ILE   3  -5.884   4.356  -1.384
   22    HB   ILE   3           HB       ILE   3  -5.302   4.903   1.116
   23   1HG1  ILE   3          2HG1      ILE   3  -7.878   4.111   2.226
   24   2HG1  ILE   3          1HG1      ILE   3  -7.066   2.669   1.641
   25   1HG2  ILE   3          1HG2      ILE   3  -6.742   6.180  -0.488
   26   2HG2  ILE   3          2HG2      ILE   3  -8.140   5.407   0.261
   27   3HG2  ILE   3          3HG2      ILE   3  -7.088   6.446   1.221
   28   1HD1  ILE   3          1HD1      ILE   3  -5.613   4.585   3.406
   29   2HD1  ILE   3          2HD1      ILE   3  -6.758   3.426   4.082
   30   3HD1  ILE   3          3HD1      ILE   3  -5.359   2.854   3.173
   31    H    PHE   4           H        PHE   4  -3.865   4.288  -1.884
   32    HA   PHE   4           HA       PHE   4  -2.187   1.993  -1.173
   33   1HB   PHE   4          1HB       PHE   4  -2.495   3.737  -3.542
   34   2HB   PHE   4          2HB       PHE   4  -0.834   3.329  -3.164
   35    HD1  PHE   4           HD1      PHE   4  -4.257   1.849  -4.245
   36    HD2  PHE   4           HD2      PHE   4   0.146   1.066  -3.645
   37    HE1  PHE   4           HE1      PHE   4  -4.465  -0.356  -5.569
   38    HE2  PHE   4           HE2      PHE   4  -0.076  -1.138  -4.985
   39    HZ   PHE   4           HZ       PHE   4  -2.376  -1.851  -5.949
   40    H    VAL   5           H        VAL   5  -0.169   2.075  -0.347
   41    HA   VAL   5           HA       VAL   5   1.239   4.534   0.283
   42    HB   VAL   5           HB       VAL   5   1.738   3.699   2.718
   43   1HG1  VAL   5          1HG1      VAL   5   0.640   5.789   2.177
   44   2HG1  VAL   5          2HG1      VAL   5  -0.919   4.969   2.107
   45   3HG1  VAL   5          3HG1      VAL   5  -0.043   5.067   3.634
   46   1HG2  VAL   5          1HG2      VAL   5   0.414   1.542   2.610
   47   2HG2  VAL   5          2HG2      VAL   5   0.034   2.580   3.984
   48   3HG2  VAL   5          3HG2      VAL   5  -1.055   2.521   2.600
   49    H    LYS   6           H        LYS   6   3.352   4.393  -0.019
   50    HA   LYS   6           HA       LYS   6   4.611   1.762  -0.457
   51   1HB   LYS   6          1HB       LYS   6   4.380   3.901  -2.190
   52   2HB   LYS   6          2HB       LYS   6   6.003   4.115  -1.556
   53   1HG   LYS   6          1HG       LYS   6   6.730   2.044  -2.403
   54   2HG   LYS   6          2HG       LYS   6   5.085   1.478  -2.666
   55   1HD   LYS   6          1HD       LYS   6   5.121   2.224  -4.769
   56   2HD   LYS   6          2HD       LYS   6   5.427   3.869  -4.222
   57   1HE   LYS   6          1HE       LYS   6   7.817   3.482  -4.276
   58   2HE   LYS   6          2HE       LYS   6   7.567   1.779  -4.661
   59   1HZ   LYS   6          1HZ       LYS   6   6.764   4.059  -6.389
   60   2HZ   LYS   6          2HZ       LYS   6   8.132   3.093  -6.623
   61   3HZ   LYS   6          3HZ       LYS   6   6.588   2.418  -6.762
   62    H    THR   7           H        THR   7   6.618   1.222   0.293
   63    HA   THR   7           HA       THR   7   7.851   2.828   2.460
   64    HB   THR   7           HB       THR   7   8.849   0.525   3.165
   65    HG1  THR   7           HG1      THR   7   6.601  -0.355   1.660
   66   1HG2  THR   7          1HG2      THR   7   6.042   1.439   3.649
   67   2HG2  THR   7          2HG2      THR   7   6.605  -0.080   4.348
   68   3HG2  THR   7          3HG2      THR   7   7.424   1.431   4.745
   69    H    LEU   8           H        LEU   8  10.097   3.022   2.628
   70    HA   LEU   8           HA       LEU   8  11.673   3.307   0.293
   71   1HB   LEU   8          1HB       LEU   8  11.916   3.857   3.115
   72   2HB   LEU   8          2HB       LEU   8  13.427   3.207   2.523
   73    HG   LEU   8           HG       LEU   8  12.635   5.187   0.621
   74   1HD1  LEU   8          1HD1      LEU   8  11.111   6.127   2.279
   75   2HD1  LEU   8          2HD1      LEU   8  12.443   6.277   3.426
   76   3HD1  LEU   8          3HD1      LEU   8  12.452   7.221   1.937
   77   1HD2  LEU   8          1HD2      LEU   8  14.752   5.321   2.767
   78   2HD2  LEU   8          2HD2      LEU   8  14.940   4.642   1.150
   79   3HD2  LEU   8          3HD2      LEU   8  14.651   6.370   1.352
   80    H    ASP   9           H        ASP   9  11.199   0.431   2.183
   81    HA   ASP   9           HA       ASP   9  13.635  -1.022   1.693
   82   1HB   ASP   9          1HB       ASP   9  10.929  -1.812   2.760
   83   2HB   ASP   9          2HB       ASP   9  12.155  -3.029   2.425
   84    H    GLY  10           H        GLY  10  10.476  -0.891   0.011
   85   1HA   GLY  10          2HA       GLY  10  11.528  -2.486  -2.262
   86   2HA   GLY  10          1HA       GLY  10  10.394  -1.159  -2.417
   87    H    LYS  11           H        LYS  11   8.411  -1.665  -0.633
   88    HA   LYS  11           HA       LYS  11   7.018  -3.967  -1.754
   89   1HB   LYS  11          1HB       LYS  11   6.079  -4.677   0.527
   90   2HB   LYS  11          2HB       LYS  11   7.715  -5.165   0.159
   91   1HG   LYS  11          1HG       LYS  11   8.147  -2.877   1.624
   92   2HG   LYS  11          2HG       LYS  11   6.655  -3.474   2.347
   93   1HD   LYS  11          1HD       LYS  11   7.964  -5.757   2.424
   94   2HD   LYS  11          2HD       LYS  11   9.382  -4.721   2.285
   95   1HE   LYS  11          1HE       LYS  11   9.223  -4.827   4.554
   96   2HE   LYS  11          2HE       LYS  11   8.183  -3.432   4.278
   97   1HZ   LYS  11          1HZ       LYS  11   6.268  -4.960   4.311
   98   2HZ   LYS  11          2HZ       LYS  11   7.305  -6.241   4.692
   99   3HZ   LYS  11          3HZ       LYS  11   7.117  -4.954   5.775
  100    H    THR  12           H        THR  12   4.903  -3.689  -2.174
  101    HA   THR  12           HA       THR  12   3.632  -1.105  -1.507
  102    HB   THR  12           HB       THR  12   1.974  -1.764  -3.382
  103    HG1  THR  12           HG1      THR  12   2.364  -3.555  -4.413
  104   1HG2  THR  12          1HG2      THR  12   3.793  -0.003  -3.518
  105   2HG2  THR  12          2HG2      THR  12   4.778  -1.213  -4.340
  106   3HG2  THR  12          3HG2      THR  12   3.256  -0.682  -5.054
  107    H    ILE  13           H        ILE  13   1.765  -0.888  -0.426
  108    HA   ILE  13           HA       ILE  13   0.111  -3.194   0.310
  109    HB   ILE  13           HB       ILE  13   1.824  -2.874   2.112
  110   1HG1  ILE  13          2HG1      ILE  13  -0.387  -2.385   3.915
  111   2HG1  ILE  13          1HG1      ILE  13  -0.982  -3.280   2.527
  112   1HG2  ILE  13          1HG2      ILE  13   2.191  -0.498   2.213
  113   2HG2  ILE  13          2HG2      ILE  13   0.556  -0.231   2.827
  114   3HG2  ILE  13          3HG2      ILE  13   1.734  -1.107   3.804
  115   1HD1  ILE  13          1HD1      ILE  13   1.356  -4.117   4.232
  116   2HD1  ILE  13          2HD1      ILE  13  -0.294  -4.721   4.402
  117   3HD1  ILE  13          3HD1      ILE  13   0.616  -5.046   2.927
  118    H    THR  14           H        THR  14  -2.040  -2.895   0.248
  119    HA   THR  14           HA       THR  14  -3.280  -0.244   0.271
  120    HB   THR  14           HB       THR  14  -3.036  -0.549  -2.120
  121    HG1  THR  14           HG1      THR  14  -4.958   0.162  -2.517
  122   1HG2  THR  14          1HG2      THR  14  -3.523  -3.329  -1.800
  123   2HG2  THR  14          2HG2      THR  14  -4.835  -2.693  -2.793
  124   3HG2  THR  14          3HG2      THR  14  -3.157  -2.454  -3.288
  125    H    LEU  15           H        LEU  15  -5.481  -0.101   0.851
  126    HA   LEU  15           HA       LEU  15  -6.529  -2.326   2.469
  127   1HB   LEU  15          1HB       LEU  15  -6.531   0.608   2.736
  128   2HB   LEU  15          2HB       LEU  15  -8.080  -0.127   3.086
  129    HG   LEU  15           HG       LEU  15  -6.058  -1.644   4.483
  130   1HD1  LEU  15          1HD1      LEU  15  -5.862   1.324   4.959
  131   2HD1  LEU  15          2HD1      LEU  15  -5.223   0.084   6.039
  132   3HD1  LEU  15          3HD1      LEU  15  -4.583   0.243   4.403
  133   1HD2  LEU  15          1HD2      LEU  15  -8.400  -1.474   5.165
  134   2HD2  LEU  15          2HD2      LEU  15  -7.310  -1.015   6.474
  135   3HD2  LEU  15          3HD2      LEU  15  -8.165   0.228   5.560
  136    H    GLU  16           H        GLU  16  -8.335  -3.395   1.989
  137    HA   GLU  16           HA       GLU  16 -10.277  -2.413  -0.007
  138   1HB   GLU  16          1HB       GLU  16  -8.678  -4.948  -0.127
  139   2HB   GLU  16          2HB       GLU  16 -10.333  -4.983  -0.717
  140   1HG   GLU  16          1HG       GLU  16  -9.718  -3.019  -2.195
  141   2HG   GLU  16          2HG       GLU  16  -8.041  -3.310  -1.738
  142    H    VAL  17           H        VAL  17 -12.406  -2.983   0.237
  143    HA   VAL  17           HA       VAL  17 -13.255  -4.717   2.457
  144    HB   VAL  17           HB       VAL  17 -15.217  -3.106   2.955
  145   1HG1  VAL  17          1HG1      VAL  17 -13.276  -3.650   4.433
  146   2HG1  VAL  17          2HG1      VAL  17 -12.541  -2.138   3.898
  147   3HG1  VAL  17          3HG1      VAL  17 -14.081  -2.114   4.756
  148   1HG2  VAL  17          1HG2      VAL  17 -14.714  -1.427   1.081
  149   2HG2  VAL  17          2HG2      VAL  17 -15.024  -0.748   2.680
  150   3HG2  VAL  17          3HG2      VAL  17 -13.372  -0.868   2.078

  No H/Q in entry =         150
  Start of MODEL   13
    1    H1   MET   1           H1       MET   1 -13.651   0.224  -0.197
    2    H2   MET   1           H2       MET   1 -14.701   1.481  -0.625
    3    H3   MET   1           H3       MET   1 -13.819   0.672  -1.821
    4    HA   MET   1           HA       MET   1 -12.845   2.813  -1.391
    5   1HB   MET   1          1HB       MET   1 -13.686   2.342   1.188
    6   2HB   MET   1          2HB       MET   1 -11.950   2.098   1.341
    7   1HG   MET   1          1HG       MET   1 -11.466   4.303   0.888
    8   2HG   MET   1          2HG       MET   1 -12.963   4.563  -0.008
    9   1HE   MET   1          1HE       MET   1 -15.331   4.651   1.138
   10   2HE   MET   1          2HE       MET   1 -15.455   5.771   2.497
   11   3HE   MET   1          3HE       MET   1 -14.622   6.264   1.022
   12    H    GLN   2           H        GLN   2 -10.701   3.144  -1.841
   13    HA   GLN   2           HA       GLN   2  -8.723   1.006  -1.453
   14   1HB   GLN   2          1HB       GLN   2  -9.516   2.233  -4.076
   15   2HB   GLN   2          2HB       GLN   2  -7.823   1.825  -3.823
   16   1HG   GLN   2          1HG       GLN   2  -8.331  -0.476  -3.524
   17   2HG   GLN   2          2HG       GLN   2 -10.062  -0.152  -3.450
   18   2HE2  GLN   2          2HE2      GLN   2  -7.277  -0.519  -5.563
   19   1HE2  GLN   2          1HE2      GLN   2  -8.173  -0.570  -7.038
   20    H    ILE   3           H        ILE   3  -6.871   1.625  -0.636
   21    HA   ILE   3           HA       ILE   3  -5.737   4.280  -0.916
   22    HB   ILE   3           HB       ILE   3  -5.226   4.399   1.652
   23   1HG1  ILE   3          1HG1      ILE   3  -7.866   3.552   2.554
   24   2HG1  ILE   3          2HG1      ILE   3  -7.092   2.188   1.768
   25   1HG2  ILE   3          1HG2      ILE   3  -6.524   6.006   0.282
   26   2HG2  ILE   3          2HG2      ILE   3  -7.997   5.155   0.748
   27   3HG2  ILE   3          3HG2      ILE   3  -7.010   5.948   1.977
   28   1HD1  ILE   3          1HD1      ILE   3  -5.603   3.729   3.839
   29   2HD1  ILE   3          2HD1      ILE   3  -6.835   2.559   4.314
   30   3HD1  ILE   3          3HD1      ILE   3  -5.445   2.039   3.360
   31    H    PHE   4           H        PHE   4  -3.720   4.158  -1.405
   32    HA   PHE   4           HA       PHE   4  -2.159   1.710  -0.947
   33   1HB   PHE   4          1HB       PHE   4  -2.370   3.707  -3.127
   34   2HB   PHE   4          2HB       PHE   4  -0.740   3.153  -2.802
   35    HD1  PHE   4           HD1      PHE   4  -4.242   2.050  -4.043
   36    HD2  PHE   4           HD2      PHE   4   0.080   0.875  -3.500
   37    HE1  PHE   4           HE1      PHE   4  -4.594   0.020  -5.597
   38    HE2  PHE   4           HE2      PHE   4  -0.285  -1.149  -5.071
   39    HZ   PHE   4           HZ       PHE   4  -2.618  -1.581  -6.121
   40    H    VAL   5           H        VAL   5  -0.099   1.647  -0.150
   41    HA   VAL   5           HA       VAL   5   1.284   4.044   0.794
   42    HB   VAL   5           HB       VAL   5   1.926   2.854   3.014
   43   1HG1  VAL   5          1HG1      VAL   5   0.501   4.893   2.716
   44   2HG1  VAL   5          2HG1      VAL   5  -0.903   3.843   2.908
   45   3HG1  VAL   5          3HG1      VAL   5   0.269   3.997   4.217
   46   1HG2  VAL   5          1HG2      VAL   5  -0.684   1.352   2.589
   47   2HG2  VAL   5          2HG2      VAL   5   0.918   0.633   2.753
   48   3HG2  VAL   5          3HG2      VAL   5   0.181   1.474   4.120
   49    H    LYS   6           H        LYS   6   3.411   4.069   0.492
   50    HA   LYS   6           HA       LYS   6   4.851   1.601  -0.264
   51   1HB   LYS   6          1HB       LYS   6   4.196   3.613  -2.004
   52   2HB   LYS   6          2HB       LYS   6   5.792   4.131  -1.487
   53   1HG   LYS   6          1HG       LYS   6   6.798   2.131  -2.300
   54   2HG   LYS   6          2HG       LYS   6   5.228   1.377  -2.577
   55   1HD   LYS   6          1HD       LYS   6   4.830   2.562  -4.504
   56   2HD   LYS   6          2HD       LYS   6   5.805   3.944  -4.002
   57   1HE   LYS   6          1HE       LYS   6   7.831   2.801  -4.515
   58   2HE   LYS   6          2HE       LYS   6   6.985   1.270  -4.742
   59   1HZ   LYS   6          1HZ       LYS   6   5.822   2.313  -6.645
   60   2HZ   LYS   6          2HZ       LYS   6   6.808   3.677  -6.469
   61   3HZ   LYS   6          3HZ       LYS   6   7.493   2.183  -6.869
   62    H    THR   7           H        THR   7   6.956   1.308   0.333
   63    HA   THR   7           HA       THR   7   8.236   3.162   2.267
   64    HB   THR   7           HB       THR   7   9.414   1.049   3.164
   65    HG1  THR   7           HG1      THR   7   8.792  -0.818   2.444
   66   1HG2  THR   7          1HG2      THR   7   6.561   1.757   3.709
   67   2HG2  THR   7          2HG2      THR   7   7.296   0.377   4.529
   68   3HG2  THR   7          3HG2      THR   7   7.988   1.991   4.719
   69    H    LEU   8           H        LEU   8  10.486   3.464   2.195
   70    HA   LEU   8           HA       LEU   8  11.819   3.536  -0.302
   71   1HB   LEU   8          1HB       LEU   8  12.157   4.714   2.160
   72   2HB   LEU   8          2HB       LEU   8  13.564   3.678   2.069
   73    HG   LEU   8           HG       LEU   8  13.462   5.008  -0.444
   74   1HD1  LEU   8          1HD1      LEU   8  12.963   6.960   1.801
   75   2HD1  LEU   8          2HD1      LEU   8  13.545   7.396   0.195
   76   3HD1  LEU   8          3HD1      LEU   8  11.946   6.678   0.388
   77   1HD2  LEU   8          1HD2      LEU   8  15.465   4.335   0.932
   78   2HD2  LEU   8          2HD2      LEU   8  15.570   5.905   0.136
   79   3HD2  LEU   8          3HD2      LEU   8  15.221   5.812   1.862
   80    H    ASP   9           H        ASP   9  11.669   0.890   1.949
   81    HA   ASP   9           HA       ASP   9  14.109  -0.521   1.337
   82   1HB   ASP   9          1HB       ASP   9  11.645  -1.166   2.923
   83   2HB   ASP   9          2HB       ASP   9  12.743  -2.469   2.486
   84    H    GLY  10           H        GLY  10  10.735  -0.755   0.126
   85   1HA   GLY  10          2HA       GLY  10  11.537  -2.709  -1.965
   86   2HA   GLY  10          1HA       GLY  10  10.482  -1.344  -2.283
   87    H    LYS  11           H        LYS  11   8.519  -1.288  -0.588
   88    HA   LYS  11           HA       LYS  11   7.063  -3.843  -0.823
   89   1HB   LYS  11          1HB       LYS  11   7.539  -2.299   1.701
   90   2HB   LYS  11          2HB       LYS  11   5.981  -3.075   1.490
   91   1HG   LYS  11          1HG       LYS  11   7.028  -5.233   1.311
   92   2HG   LYS  11          2HG       LYS  11   8.631  -4.492   1.355
   93   1HD   LYS  11          1HD       LYS  11   8.003  -3.545   3.611
   94   2HD   LYS  11          2HD       LYS  11   6.573  -4.572   3.558
   95   1HE   LYS  11          1HE       LYS  11   9.236  -5.846   3.116
   96   2HE   LYS  11          2HE       LYS  11   8.812  -5.330   4.745
   97   1HZ   LYS  11          1HZ       LYS  11   6.714  -6.632   4.473
   98   2HZ   LYS  11          2HZ       LYS  11   7.352  -7.267   3.041
   99   3HZ   LYS  11          3HZ       LYS  11   8.125  -7.566   4.515
  100    H    THR  12           H        THR  12   4.862  -3.727  -1.215
  101    HA   THR  12           HA       THR  12   3.450  -1.156  -1.331
  102    HB   THR  12           HB       THR  12   2.365  -1.936  -3.561
  103    HG1  THR  12           HG1      THR  12   3.186  -3.672  -4.415
  104   1HG2  THR  12          1HG2      THR  12   3.837   0.053  -3.323
  105   2HG2  THR  12          2HG2      THR  12   5.223  -0.971  -3.696
  106   3HG2  THR  12          3HG2      THR  12   3.960  -0.722  -4.902
  107    H    ILE  13           H        ILE  13   1.502  -1.216  -0.449
  108    HA   ILE  13           HA       ILE  13  -0.187  -3.589  -0.383
  109    HB   ILE  13           HB       ILE  13  -0.694  -3.330   2.081
  110   1HG1  ILE  13          1HG1      ILE  13   0.411  -1.285   2.834
  111   2HG1  ILE  13          2HG1      ILE  13   1.043  -2.631   3.733
  112   1HG2  ILE  13          1HG2      ILE  13   0.505  -5.212   0.959
  113   2HG2  ILE  13          2HG2      ILE  13   1.997  -4.557   1.632
  114   3HG2  ILE  13          3HG2      ILE  13   0.700  -5.075   2.707
  115   1HD1  ILE  13          1HD1      ILE  13   3.151  -2.393   2.225
  116   2HD1  ILE  13          2HD1      ILE  13   2.477  -0.830   1.764
  117   3HD1  ILE  13          3HD1      ILE  13   2.867  -1.156   3.452
  118    H    THR  14           H        THR  14  -2.354  -3.282  -0.274
  119    HA   THR  14           HA       THR  14  -3.469  -0.606   0.172
  120    HB   THR  14           HB       THR  14  -3.315  -0.646  -2.243
  121    HG1  THR  14           HG1      THR  14  -6.008  -1.023  -1.439
  122   1HG2  THR  14          1HG2      THR  14  -3.877  -3.402  -2.251
  123   2HG2  THR  14          2HG2      THR  14  -5.272  -2.642  -3.020
  124   3HG2  THR  14          3HG2      THR  14  -3.648  -2.354  -3.653
  125    H    LEU  15           H        LEU  15  -5.624  -0.421   0.859
  126    HA   LEU  15           HA       LEU  15  -6.791  -2.801   2.155
  127   1HB   LEU  15          1HB       LEU  15  -6.006  -0.451   3.323
  128   2HB   LEU  15          2HB       LEU  15  -7.705  -0.136   3.043
  129    HG   LEU  15           HG       LEU  15  -7.497  -2.758   4.230
  130   1HD1  LEU  15          1HD1      LEU  15  -5.276  -1.888   5.039
  131   2HD1  LEU  15          2HD1      LEU  15  -6.179  -0.699   5.977
  132   3HD1  LEU  15          3HD1      LEU  15  -6.403  -2.421   6.287
  133   1HD2  LEU  15          1HD2      LEU  15  -8.556  -0.152   5.317
  134   2HD2  LEU  15          2HD2      LEU  15  -9.465  -1.388   4.448
  135   3HD2  LEU  15          3HD2      LEU  15  -8.818  -1.733   6.052
  136    H    GLU  16           H        GLU  16  -8.763  -3.514   1.661
  137    HA   GLU  16           HA       GLU  16 -10.671  -1.920   0.072
  138   1HB   GLU  16          1HB       GLU  16  -9.451  -4.555  -0.664
  139   2HB   GLU  16          2HB       GLU  16 -11.134  -4.282  -1.087
  140   1HG   GLU  16          1HG       GLU  16 -10.257  -2.079  -2.145
  141   2HG   GLU  16          2HG       GLU  16  -8.682  -2.862  -2.073
  142    H    VAL  17           H        VAL  17 -12.836  -2.246   0.406
  143    HA   VAL  17           HA       VAL  17 -13.684  -4.054   2.588
  144    HB   VAL  17           HB       VAL  17 -15.682  -2.453   2.960
  145   1HG1  VAL  17          1HG1      VAL  17 -13.957  -2.799   4.595
  146   2HG1  VAL  17          2HG1      VAL  17 -12.931  -1.596   3.813
  147   3HG1  VAL  17          3HG1      VAL  17 -14.443  -1.104   4.575
  148   1HG2  VAL  17          1HG2      VAL  17 -15.282  -0.906   0.989
  149   2HG2  VAL  17          2HG2      VAL  17 -15.480  -0.092   2.541
  150   3HG2  VAL  17          3HG2      VAL  17 -13.870  -0.285   1.848

  No H/Q in entry =         150
  Start of MODEL   14
    1    H1   MET   1           H1       MET   1 -14.139   0.088  -2.029
    2    H2   MET   1           H2       MET   1 -14.027  -0.078  -0.348
    3    H3   MET   1           H3       MET   1 -15.145   0.999  -1.020
    4    HA   MET   1           HA       MET   1 -13.402   2.386  -1.870
    5   1HB   MET   1          1HB       MET   1 -14.209   2.132   0.749
    6   2HB   MET   1          2HB       MET   1 -12.465   2.064   0.920
    7   1HG   MET   1          1HG       MET   1 -12.265   4.259   0.648
    8   2HG   MET   1          2HG       MET   1 -13.273   4.264  -0.798
    9   1HE   MET   1          1HE       MET   1 -12.986   4.362   2.929
   10   2HE   MET   1          2HE       MET   1 -13.176   6.082   2.575
   11   3HE   MET   1          3HE       MET   1 -14.418   5.227   3.493
   12    H    GLN   2           H        GLN   2 -11.286   2.857  -2.347
   13    HA   GLN   2           HA       GLN   2  -9.160   0.904  -1.788
   14   1HB   GLN   2          1HB       GLN   2 -10.054   1.916  -4.455
   15   2HB   GLN   2          2HB       GLN   2  -8.323   1.756  -4.201
   16   1HG   GLN   2          1HG       GLN   2  -8.443  -0.552  -3.932
   17   2HG   GLN   2          2HG       GLN   2 -10.177  -0.520  -3.610
   18   2HE2  GLN   2          2HE2      GLN   2  -7.695  -0.494  -6.098
   19   1HE2  GLN   2          1HE2      GLN   2  -8.768  -0.747  -7.428
   20    H    ILE   3           H        ILE   3  -7.352   1.676  -0.994
   21    HA   ILE   3           HA       ILE   3  -6.372   4.373  -1.387
   22    HB   ILE   3           HB       ILE   3  -5.906   4.668   1.173
   23   1HG1  ILE   3          2HG1      ILE   3  -8.503   3.721   2.099
   24   2HG1  ILE   3          1HG1      ILE   3  -7.638   2.361   1.403
   25   1HG2  ILE   3          1HG2      ILE   3  -7.253   6.141  -0.264
   26   2HG2  ILE   3          2HG2      ILE   3  -8.691   5.209   0.157
   27   3HG2  ILE   3          3HG2      ILE   3  -7.821   6.101   1.405
   28   1HD1  ILE   3          1HD1      ILE   3  -6.237   4.097   3.371
   29   2HD1  ILE   3          2HD1      ILE   3  -7.439   2.935   3.933
   30   3HD1  ILE   3          3HD1      ILE   3  -6.030   2.380   3.027
   31    H    PHE   4           H        PHE   4  -4.355   4.321  -1.858
   32    HA   PHE   4           HA       PHE   4  -2.712   1.940  -1.477
   33   1HB   PHE   4          1HB       PHE   4  -2.809   4.223  -3.350
   34   2HB   PHE   4          2HB       PHE   4  -1.190   3.685  -2.964
   35    HD1  PHE   4           HD1      PHE   4  -4.549   2.579  -4.579
   36    HD2  PHE   4           HD2      PHE   4  -0.171   1.674  -3.991
   37    HE1  PHE   4           HE1      PHE   4  -4.660   0.816  -6.466
   38    HE2  PHE   4           HE2      PHE   4  -0.296  -0.099  -5.877
   39    HZ   PHE   4           HZ       PHE   4  -2.531  -0.522  -7.124
   40    H    VAL   5           H        VAL   5  -0.705   1.782  -0.553
   41    HA   VAL   5           HA       VAL   5   0.595   4.008   0.808
   42    HB   VAL   5           HB       VAL   5   1.011   2.579   2.937
   43   1HG1  VAL   5          1HG1      VAL   5  -0.294   4.670   2.809
   44   2HG1  VAL   5          2HG1      VAL   5  -1.757   3.704   2.615
   45   3HG1  VAL   5          3HG1      VAL   5  -0.807   3.580   4.096
   46   1HG2  VAL   5          1HG2      VAL   5  -0.165   0.456   2.102
   47   2HG2  VAL   5          2HG2      VAL   5  -0.583   0.996   3.728
   48   3HG2  VAL   5          3HG2      VAL   5  -1.685   1.307   2.387
   49    H    LYS   6           H        LYS   6   2.750   3.992   0.727
   50    HA   LYS   6           HA       LYS   6   4.183   1.596  -0.246
   51   1HB   LYS   6          1HB       LYS   6   3.838   3.922  -1.642
   52   2HB   LYS   6          2HB       LYS   6   5.371   4.245  -0.850
   53   1HG   LYS   6          1HG       LYS   6   6.419   2.406  -1.911
   54   2HG   LYS   6          2HG       LYS   6   4.878   1.745  -2.458
   55   1HD   LYS   6          1HD       LYS   6   4.693   3.218  -4.205
   56   2HD   LYS   6          2HD       LYS   6   5.598   4.493  -3.388
   57   1HE   LYS   6          1HE       LYS   6   7.671   3.479  -3.895
   58   2HE   LYS   6          2HE       LYS   6   6.902   1.963  -4.366
   59   1HZ   LYS   6          1HZ       LYS   6   5.863   3.204  -6.232
   60   2HZ   LYS   6          2HZ       LYS   6   6.805   4.548  -5.823
   61   3HZ   LYS   6          3HZ       LYS   6   7.549   3.114  -6.329
   62    H    THR   7           H        THR   7   6.196   1.074   0.513
   63    HA   THR   7           HA       THR   7   7.213   2.368   2.979
   64    HB   THR   7           HB       THR   7   8.369   0.062   3.344
   65    HG1  THR   7           HG1      THR   7   7.929  -1.352   1.861
   66   1HG2  THR   7          1HG2      THR   7   5.475   0.659   3.813
   67   2HG2  THR   7          2HG2      THR   7   6.138  -0.906   4.282
   68   3HG2  THR   7          3HG2      THR   7   6.806   0.575   4.969
   69    H    LEU   8           H        LEU   8   9.404   2.743   3.280
   70    HA   LEU   8           HA       LEU   8  11.032   3.437   1.042
   71   1HB   LEU   8          1HB       LEU   8  10.898   4.161   3.691
   72   2HB   LEU   8          2HB       LEU   8  12.399   3.261   3.649
   73    HG   LEU   8           HG       LEU   8  12.537   5.017   1.418
   74   1HD1  LEU   8          1HD1      LEU   8  11.498   6.481   3.842
   75   2HD1  LEU   8          2HD1      LEU   8  12.287   7.251   2.465
   76   3HD1  LEU   8          3HD1      LEU   8  10.758   6.401   2.242
   77   1HD2  LEU   8          1HD2      LEU   8  14.375   4.260   2.955
   78   2HD2  LEU   8          2HD2      LEU   8  14.426   5.961   2.491
   79   3HD2  LEU   8          3HD2      LEU   8  13.839   5.500   4.089
   80    H    ASP   9           H        ASP   9  10.767   0.390   2.655
   81    HA   ASP   9           HA       ASP   9  13.385  -0.745   2.332
   82   1HB   ASP   9          1HB       ASP   9  10.685  -1.871   3.018
   83   2HB   ASP   9          2HB       ASP   9  12.006  -2.966   2.629
   84    H    GLY  10           H        GLY  10  10.465  -0.754   0.264
   85   1HA   GLY  10          2HA       GLY  10  11.948  -2.019  -1.978
   86   2HA   GLY  10          1HA       GLY  10  10.729  -0.774  -2.171
   87    H    LYS  11           H        LYS  11   8.597  -1.620  -0.698
   88    HA   LYS  11           HA       LYS  11   7.557  -3.887  -2.206
   89   1HB   LYS  11          1HB       LYS  11   6.432  -4.916  -0.143
   90   2HB   LYS  11          2HB       LYS  11   8.139  -5.224  -0.346
   91   1HG   LYS  11          1HG       LYS  11   8.259  -3.133   1.383
   92   2HG   LYS  11          2HG       LYS  11   6.680  -3.784   1.820
   93   1HD   LYS  11          1HD       LYS  11   7.907  -6.055   1.966
   94   2HD   LYS  11          2HD       LYS  11   9.383  -5.090   1.988
   95   1HE   LYS  11          1HE       LYS  11   8.710  -3.976   3.991
   96   2HE   LYS  11          2HE       LYS  11   7.099  -4.687   3.910
   97   1HZ   LYS  11          1HZ       LYS  11   9.626  -6.191   4.335
   98   2HZ   LYS  11          2HZ       LYS  11   8.493  -5.812   5.534
   99   3HZ   LYS  11          3HZ       LYS  11   8.075  -6.863   4.276
  100    H    THR  12           H        THR  12   5.484  -3.725  -2.854
  101    HA   THR  12           HA       THR  12   3.830  -1.458  -1.898
  102    HB   THR  12           HB       THR  12   2.708  -1.602  -4.233
  103    HG1  THR  12           HG1      THR  12   3.549  -3.197  -5.366
  104   1HG2  THR  12          1HG2      THR  12   5.430  -0.424  -3.746
  105   2HG2  THR  12          2HG2      THR  12   4.581  -0.186  -5.273
  106   3HG2  THR  12          3HG2      THR  12   3.862   0.383  -3.767
  107    H    ILE  13           H        ILE  13   1.817  -1.770  -1.209
  108    HA   ILE  13           HA       ILE  13   0.189  -4.102  -1.797
  109    HB   ILE  13           HB       ILE  13  -0.380  -4.522   0.686
  110   1HG1  ILE  13          1HG1      ILE  13   2.317  -4.202   1.775
  111   2HG1  ILE  13          2HG1      ILE  13   1.743  -2.636   1.222
  112   1HG2  ILE  13          1HG2      ILE  13   2.198  -5.520  -0.495
  113   2HG2  ILE  13          2HG2      ILE  13   1.390  -6.242   0.899
  114   3HG2  ILE  13          3HG2      ILE  13   0.584  -6.210  -0.672
  115   1HD1  ILE  13          1HD1      ILE  13   0.228  -4.420   3.112
  116   2HD1  ILE  13          2HD1      ILE  13   1.289  -3.102   3.612
  117   3HD1  ILE  13          3HD1      ILE  13  -0.164  -2.757   2.672
  118    H    THR  14           H        THR  14  -1.989  -3.815  -1.676
  119    HA   THR  14           HA       THR  14  -3.023  -1.101  -1.357
  120    HB   THR  14           HB       THR  14  -5.247  -2.152  -2.098
  121    HG1  THR  14           HG1      THR  14  -5.041  -4.301  -1.919
  122   1HG2  THR  14          1HG2      THR  14  -2.880  -1.703  -3.782
  123   2HG2  THR  14          2HG2      THR  14  -4.198  -2.618  -4.515
  124   3HG2  THR  14          3HG2      THR  14  -4.507  -1.015  -3.856
  125    H    LEU  15           H        LEU  15  -4.573  -0.373   0.042
  126    HA   LEU  15           HA       LEU  15  -5.351  -2.063   2.322
  127   1HB   LEU  15          1HB       LEU  15  -3.901   0.311   2.416
  128   2HB   LEU  15          2HB       LEU  15  -5.531   0.850   2.753
  129    HG   LEU  15           HG       LEU  15  -4.969  -1.491   4.380
  130   1HD1  LEU  15          1HD1      LEU  15  -2.605  -0.817   4.108
  131   2HD1  LEU  15          2HD1      LEU  15  -3.002   0.746   4.823
  132   3HD1  LEU  15          3HD1      LEU  15  -3.178  -0.728   5.774
  133   1HD2  LEU  15          1HD2      LEU  15  -6.658   0.265   4.860
  134   2HD2  LEU  15          2HD2      LEU  15  -5.594  -0.083   6.223
  135   3HD2  LEU  15          3HD2      LEU  15  -5.344   1.371   5.259
  136    H    GLU  16           H        GLU  16  -7.288  -2.825   1.985
  137    HA   GLU  16           HA       GLU  16  -9.482  -1.147   0.938
  138   1HB   GLU  16          1HB       GLU  16  -8.527  -3.839   0.084
  139   2HB   GLU  16          2HB       GLU  16 -10.265  -3.584   0.095
  140   1HG   GLU  16          1HG       GLU  16  -9.638  -1.419  -1.265
  141   2HG   GLU  16          2HG       GLU  16  -8.163  -2.319  -1.610
  142    H    VAL  17           H        VAL  17 -11.532  -1.355   1.785
  143    HA   VAL  17           HA       VAL  17 -12.161  -3.287   3.886
  144    HB   VAL  17           HB       VAL  17 -13.254  -1.453   5.349
  145   1HG1  VAL  17          1HG1      VAL  17 -11.372  -2.823   6.039
  146   2HG1  VAL  17          2HG1      VAL  17 -10.256  -1.650   5.340
  147   3HG1  VAL  17          3HG1      VAL  17 -11.274  -1.193   6.705
  148   1HG2  VAL  17          1HG2      VAL  17 -11.223   0.380   4.021
  149   2HG2  VAL  17          2HG2      VAL  17 -12.975   0.572   3.988
  150   3HG2  VAL  17          3HG2      VAL  17 -12.101   0.738   5.509

  No H/Q in entry =         150
  Start of MODEL   15
    1    H1   MET   1           H1       MET   1 -14.221   1.245  -1.531
    2    H2   MET   1           H2       MET   1 -14.914   2.639  -2.196
    3    H3   MET   1           H3       MET   1 -13.991   1.605  -3.166
    4    HA   MET   1           HA       MET   1 -12.693   3.497  -2.679
    5   1HB   MET   1          1HB       MET   1 -12.076   4.099  -0.300
    6   2HB   MET   1          2HB       MET   1 -13.720   4.457  -0.761
    7   1HG   MET   1          1HG       MET   1 -13.159   1.944   0.784
    8   2HG   MET   1          2HG       MET   1 -13.141   3.494   1.620
    9   1HE   MET   1          1HE       MET   1 -15.086   5.162   1.602
   10   2HE   MET   1          2HE       MET   1 -16.705   4.545   1.940
   11   3HE   MET   1          3HE       MET   1 -15.350   4.072   2.965
   12    H    GLN   2           H        GLN   2 -10.472   3.460  -2.591
   13    HA   GLN   2           HA       GLN   2  -9.066   1.044  -1.689
   14   1HB   GLN   2          1HB       GLN   2  -9.135   2.161  -4.459
   15   2HB   GLN   2          2HB       GLN   2  -7.566   1.636  -3.867
   16   1HG   GLN   2          1HG       GLN   2  -8.174  -0.575  -3.793
   17   2HG   GLN   2          2HG       GLN   2  -9.889  -0.215  -3.601
   18   2HE2  GLN   2          2HE2      GLN   2  -7.259  -0.624  -5.900
   19   1HE2  GLN   2          1HE2      GLN   2  -8.255  -0.654  -7.311
   20    H    ILE   3           H        ILE   3  -7.316   1.399  -0.511
   21    HA   ILE   3           HA       ILE   3  -6.029   4.028  -0.487
   22    HB   ILE   3           HB       ILE   3  -7.706   3.724   1.388
   23   1HG1  ILE   3          1HG1      ILE   3  -5.491   4.411   3.090
   24   2HG1  ILE   3          2HG1      ILE   3  -5.126   4.965   1.465
   25   1HG2  ILE   3          1HG2      ILE   3  -5.861   1.632   2.460
   26   2HG2  ILE   3          2HG2      ILE   3  -6.825   2.628   3.553
   27   3HG2  ILE   3          3HG2      ILE   3  -7.620   1.637   2.330
   28   1HD1  ILE   3          1HD1      ILE   3  -7.821   5.598   2.519
   29   2HD1  ILE   3          2HD1      ILE   3  -6.445   6.445   3.230
   30   3HD1  ILE   3          3HD1      ILE   3  -6.743   6.548   1.494
   31    H    PHE   4           H        PHE   4  -3.991   3.982  -1.043
   32    HA   PHE   4           HA       PHE   4  -2.374   1.526  -0.878
   33   1HB   PHE   4          1HB       PHE   4  -2.695   3.652  -2.904
   34   2HB   PHE   4          2HB       PHE   4  -1.029   3.188  -2.624
   35    HD1  PHE   4           HD1      PHE   4  -4.448   1.974  -3.952
   36    HD2  PHE   4           HD2      PHE   4  -0.074   0.987  -3.445
   37    HE1  PHE   4           HE1      PHE   4  -4.685   0.034  -5.638
   38    HE2  PHE   4           HE2      PHE   4  -0.331  -0.964  -5.127
   39    HZ   PHE   4           HZ       PHE   4  -2.631  -1.439  -6.230
   40    H    VAL   5           H        VAL   5  -0.325   1.442  -0.085
   41    HA   VAL   5           HA       VAL   5   0.960   3.798   1.104
   42    HB   VAL   5           HB       VAL   5   1.738   2.357   3.119
   43   1HG1  VAL   5          1HG1      VAL   5   0.298   4.297   3.307
   44   2HG1  VAL   5          2HG1      VAL   5  -1.122   3.285   3.045
   45   3HG1  VAL   5          3HG1      VAL   5  -0.133   3.060   4.487
   46   1HG2  VAL   5          1HG2      VAL   5  -0.771   0.742   2.519
   47   2HG2  VAL   5          2HG2      VAL   5   0.881   0.126   2.564
   48   3HG2  VAL   5          3HG2      VAL   5   0.120   0.710   4.044
   49    H    LYS   6           H        LYS   6   3.084   4.007   0.823
   50    HA   LYS   6           HA       LYS   6   4.641   1.808  -0.389
   51   1HB   LYS   6          1HB       LYS   6   3.929   4.143  -1.628
   52   2HB   LYS   6          2HB       LYS   6   5.506   4.575  -0.987
   53   1HG   LYS   6          1HG       LYS   6   6.632   3.077  -2.330
   54   2HG   LYS   6          2HG       LYS   6   5.236   2.017  -2.510
   55   1HD   LYS   6          1HD       LYS   6   4.322   3.264  -4.217
   56   2HD   LYS   6          2HD       LYS   6   5.082   4.767  -3.687
   57   1HE   LYS   6          1HE       LYS   6   7.211   4.056  -4.542
   58   2HE   LYS   6          2HE       LYS   6   6.581   2.450  -4.906
   59   1HZ   LYS   6          1HZ       LYS   6   5.075   3.471  -6.523
   60   2HZ   LYS   6          2HZ       LYS   6   5.747   4.990  -6.200
   61   3HZ   LYS   6          3HZ       LYS   6   6.695   3.777  -6.900
   62    H    THR   7           H        THR   7   6.746   1.453   0.169
   63    HA   THR   7           HA       THR   7   7.943   2.875   2.479
   64    HB   THR   7           HB       THR   7   9.108   0.613   2.967
   65    HG1  THR   7           HG1      THR   7   6.885  -0.324   1.458
   66   1HG2  THR   7          1HG2      THR   7   6.273   1.289   3.624
   67   2HG2  THR   7          2HG2      THR   7   6.930  -0.265   4.140
   68   3HG2  THR   7          3HG2      THR   7   7.690   1.235   4.672
   69    H    LEU   8           H        LEU   8  10.169   3.215   2.532
   70    HA   LEU   8           HA       LEU   8  11.572   3.650   0.080
   71   1HB   LEU   8          1HB       LEU   8  11.786   4.473   2.784
   72   2HB   LEU   8          2HB       LEU   8  13.331   3.765   2.369
   73    HG   LEU   8           HG       LEU   8  12.727   5.476   0.192
   74   1HD1  LEU   8          1HD1      LEU   8  12.069   6.852   2.795
   75   2HD1  LEU   8          2HD1      LEU   8  12.428   7.688   1.282
   76   3HD1  LEU   8          3HD1      LEU   8  11.012   6.642   1.397
   77   1HD2  LEU   8          1HD2      LEU   8  14.955   5.043   1.163
   78   2HD2  LEU   8          2HD2      LEU   8  14.640   6.759   0.900
   79   3HD2  LEU   8          3HD2      LEU   8  14.539   6.083   2.525
   80    H    ASP   9           H        ASP   9  11.478   0.827   2.114
   81    HA   ASP   9           HA       ASP   9  14.029  -0.381   1.541
   82   1HB   ASP   9          1HB       ASP   9  11.544  -1.256   2.948
   83   2HB   ASP   9          2HB       ASP   9  12.650  -2.506   2.396
   84    H    GLY  10           H        GLY  10  10.755  -0.730   0.101
   85   1HA   GLY  10          2HA       GLY  10  11.810  -2.451  -2.083
   86   2HA   GLY  10          1HA       GLY  10  10.722  -1.107  -2.377
   87    H    LYS  11           H        LYS  11   8.697  -1.311  -0.651
   88    HA   LYS  11           HA       LYS  11   7.307  -3.819  -1.336
   89   1HB   LYS  11          1HB       LYS  11   7.651  -2.711   1.445
   90   2HB   LYS  11          2HB       LYS  11   6.202  -3.611   1.041
   91   1HG   LYS  11          1HG       LYS  11   7.237  -5.569   1.283
   92   2HG   LYS  11          2HG       LYS  11   8.534  -5.100   0.196
   93   1HD   LYS  11          1HD       LYS  11   9.938  -5.086   1.938
   94   2HD   LYS  11          2HD       LYS  11   9.067  -3.711   2.605
   95   1HE   LYS  11          1HE       LYS  11   7.473  -5.615   3.532
   96   2HE   LYS  11          2HE       LYS  11   8.918  -6.604   3.328
   97   1HZ   LYS  11          1HZ       LYS  11   8.749  -4.098   4.912
   98   2HZ   LYS  11          2HZ       LYS  11   8.781  -5.664   5.550
   99   3HZ   LYS  11          3HZ       LYS  11  10.131  -5.059   4.730
  100    H    THR  12           H        THR  12   5.118  -3.687  -1.727
  101    HA   THR  12           HA       THR  12   3.635  -1.172  -1.381
  102    HB   THR  12           HB       THR  12   2.579  -1.575  -3.724
  103    HG1  THR  12           HG1      THR  12   3.897  -2.593  -5.229
  104   1HG2  THR  12          1HG2      THR  12   4.125   0.333  -3.020
  105   2HG2  THR  12          2HG2      THR  12   5.412  -0.564  -3.827
  106   3HG2  THR  12          3HG2      THR  12   4.014  -0.010  -4.747
  107    H    ILE  13           H        ILE  13   1.673  -1.444  -0.556
  108    HA   ILE  13           HA       ILE  13   0.040  -3.827  -0.950
  109    HB   ILE  13           HB       ILE  13  -0.490  -4.065   1.552
  110   1HG1  ILE  13          1HG1      ILE  13   2.216  -3.488   2.563
  111   2HG1  ILE  13          2HG1      ILE  13   1.474  -2.019   1.953
  112   1HG2  ILE  13          1HG2      ILE  13   2.154  -5.045   0.491
  113   2HG2  ILE  13          2HG2      ILE  13   1.329  -5.699   1.906
  114   3HG2  ILE  13          3HG2      ILE  13   0.572  -5.810   0.315
  115   1HD1  ILE  13          1HD1      ILE  13   0.171  -3.830   3.971
  116   2HD1  ILE  13          2HD1      ILE  13   1.152  -2.423   4.389
  117   3HD1  ILE  13          3HD1      ILE  13  -0.349  -2.216   3.484
  118    H    THR  14           H        THR  14  -2.137  -3.591  -0.789
  119    HA   THR  14           HA       THR  14  -3.251  -1.003   0.042
  120    HB   THR  14           HB       THR  14  -3.219  -0.875  -2.379
  121    HG1  THR  14           HG1      THR  14  -5.224  -0.128  -2.602
  122   1HG2  THR  14          1HG2      THR  14  -3.328  -3.257  -3.081
  123   2HG2  THR  14          2HG2      THR  14  -5.027  -3.306  -2.604
  124   3HG2  THR  14          3HG2      THR  14  -4.512  -2.249  -3.920
  125    H    LEU  15           H        LEU  15  -5.304  -0.895   0.929
  126    HA   LEU  15           HA       LEU  15  -6.519  -3.398   1.911
  127   1HB   LEU  15          1HB       LEU  15  -5.210  -1.564   3.455
  128   2HB   LEU  15          2HB       LEU  15  -6.855  -0.976   3.570
  129    HG   LEU  15           HG       LEU  15  -6.925  -3.825   4.029
  130   1HD1  LEU  15          1HD1      LEU  15  -4.868  -2.413   5.719
  131   2HD1  LEU  15          2HD1      LEU  15  -5.573  -3.989   6.080
  132   3HD1  LEU  15          3HD1      LEU  15  -4.595  -3.771   4.628
  133   1HD2  LEU  15          1HD2      LEU  15  -8.510  -2.116   4.904
  134   2HD2  LEU  15          2HD2      LEU  15  -7.930  -3.249   6.124
  135   3HD2  LEU  15          3HD2      LEU  15  -7.269  -1.616   6.052
  136    H    GLU  16           H        GLU  16  -8.655  -3.700   1.720
  137    HA   GLU  16           HA       GLU  16 -10.449  -1.540   0.800
  138   1HB   GLU  16          1HB       GLU  16  -9.897  -4.184  -0.481
  139   2HB   GLU  16          2HB       GLU  16 -11.549  -3.589  -0.528
  140   1HG   GLU  16          1HG       GLU  16 -10.639  -1.462  -1.536
  141   2HG   GLU  16          2HG       GLU  16  -9.088  -2.284  -1.683
  142    H    VAL  17           H        VAL  17 -12.564  -1.542   1.490
  143    HA   VAL  17           HA       VAL  17 -13.300  -3.348   3.699
  144    HB   VAL  17           HB       VAL  17 -15.140  -1.614   4.256
  145   1HG1  VAL  17          1HG1      VAL  17 -13.070  -2.076   5.551
  146   2HG1  VAL  17          2HG1      VAL  17 -12.324  -0.699   4.740
  147   3HG1  VAL  17          3HG1      VAL  17 -13.739  -0.458   5.765
  148   1HG2  VAL  17          1HG2      VAL  17 -15.010  -0.127   2.268
  149   2HG2  VAL  17          2HG2      VAL  17 -14.732   0.754   3.769
  150   3HG2  VAL  17          3HG2      VAL  17 -13.369   0.333   2.731

  No H/Q in entry =         150
  Start of MODEL   16
    1    H1   MET   1           H1       MET   1 -13.909   0.652  -1.995
    2    H2   MET   1           H2       MET   1 -13.891   0.377  -0.325
    3    H3   MET   1           H3       MET   1 -14.862   1.601  -0.970
    4    HA   MET   1           HA       MET   1 -12.974   2.869  -1.634
    5   1HB   MET   1          1HB       MET   1 -13.854   2.470   0.943
    6   2HB   MET   1          2HB       MET   1 -12.128   2.202   1.127
    7   1HG   MET   1          1HG       MET   1 -11.612   4.378   0.803
    8   2HG   MET   1          2HG       MET   1 -12.921   4.644  -0.348
    9   1HE   MET   1          1HE       MET   1 -11.758   4.284   3.180
   10   2HE   MET   1          2HE       MET   1 -11.851   6.043   3.066
   11   3HE   MET   1          3HE       MET   1 -12.922   5.172   4.164
   12    H    GLN   2           H        GLN   2 -10.830   3.141  -2.102
   13    HA   GLN   2           HA       GLN   2  -8.901   0.967  -1.656
   14   1HB   GLN   2          1HB       GLN   2  -9.643   2.221  -4.278
   15   2HB   GLN   2          2HB       GLN   2  -7.956   1.794  -4.013
   16   1HG   GLN   2          1HG       GLN   2  -8.445  -0.491  -3.816
   17   2HG   GLN   2          2HG       GLN   2 -10.168  -0.193  -3.598
   18   2HE2  GLN   2          2HE2      GLN   2  -7.554  -0.472  -5.930
   19   1HE2  GLN   2          1HE2      GLN   2  -8.563  -0.500  -7.332
   20    H    ILE   3           H        ILE   3  -7.044   1.532  -0.812
   21    HA   ILE   3           HA       ILE   3  -5.844   4.163  -1.059
   22    HB   ILE   3           HB       ILE   3  -5.361   4.258   1.511
   23   1HG1  ILE   3          2HG1      ILE   3  -8.024   3.435   2.379
   24   2HG1  ILE   3          1HG1      ILE   3  -7.246   2.067   1.604
   25   1HG2  ILE   3          1HG2      ILE   3  -6.565   5.940   0.228
   26   2HG2  ILE   3          2HG2      ILE   3  -8.076   5.063   0.477
   27   3HG2  ILE   3          3HG2      ILE   3  -7.230   5.772   1.852
   28   1HD1  ILE   3          1HD1      ILE   3  -5.932   3.637   3.796
   29   2HD1  ILE   3          2HD1      ILE   3  -6.991   2.259   4.095
   30   3HD1  ILE   3          3HD1      ILE   3  -5.499   2.042   3.179
   31    H    PHE   4           H        PHE   4  -3.805   4.030  -1.474
   32    HA   PHE   4           HA       PHE   4  -2.319   1.532  -1.079
   33   1HB   PHE   4          1HB       PHE   4  -2.403   3.632  -3.154
   34   2HB   PHE   4          2HB       PHE   4  -0.785   3.088  -2.768
   35    HD1  PHE   4           HD1      PHE   4  -4.187   2.014  -4.266
   36    HD2  PHE   4           HD2      PHE   4   0.104   0.840  -3.506
   37    HE1  PHE   4           HE1      PHE   4  -4.425   0.050  -5.922
   38    HE2  PHE   4           HE2      PHE   4  -0.147  -1.117  -5.180
   39    HZ   PHE   4           HZ       PHE   4  -2.408  -1.516  -6.391
   40    H    VAL   5           H        VAL   5  -0.320   1.353  -0.169
   41    HA   VAL   5           HA       VAL   5   1.004   3.663   1.062
   42    HB   VAL   5           HB       VAL   5   1.619   2.211   3.126
   43   1HG1  VAL   5          1HG1      VAL   5   0.240   4.209   3.212
   44   2HG1  VAL   5          2HG1      VAL   5  -1.199   3.237   2.907
   45   3HG1  VAL   5          3HG1      VAL   5  -0.278   3.006   4.393
   46   1HG2  VAL   5          1HG2      VAL   5   0.563   0.033   2.326
   47   2HG2  VAL   5          2HG2      VAL   5   0.129   0.530   3.961
   48   3HG2  VAL   5          3HG2      VAL   5  -1.008   0.772   2.632
   49    H    LYS   6           H        LYS   6   3.111   3.818   0.767
   50    HA   LYS   6           HA       LYS   6   4.724   1.512  -0.131
   51   1HB   LYS   6          1HB       LYS   6   3.903   3.514  -1.819
   52   2HB   LYS   6          2HB       LYS   6   5.451   4.146  -1.285
   53   1HG   LYS   6          1HG       LYS   6   6.570   2.130  -2.076
   54   2HG   LYS   6          2HG       LYS   6   5.020   1.447  -2.570
   55   1HD   LYS   6          1HD       LYS   6   4.811   2.851  -4.387
   56   2HD   LYS   6          2HD       LYS   6   5.803   4.122  -3.668
   57   1HE   LYS   6          1HE       LYS   6   7.806   2.987  -4.179
   58   2HE   LYS   6          2HE       LYS   6   6.959   1.479  -4.527
   59   1HZ   LYS   6          1HZ       LYS   6   6.648   3.956  -6.133
   60   2HZ   LYS   6          2HZ       LYS   6   7.723   2.708  -6.523
   61   3HZ   LYS   6          3HZ       LYS   6   6.058   2.415  -6.506
   62    H    THR   7           H        THR   7   6.846   1.380   0.495
   63    HA   THR   7           HA       THR   7   7.977   3.412   2.300
   64    HB   THR   7           HB       THR   7   7.211   1.652   3.789
   65    HG1  THR   7           HG1      THR   7   8.990   1.576   4.988
   66   1HG2  THR   7          1HG2      THR   7   8.508  -0.289   1.974
   67   2HG2  THR   7          2HG2      THR   7   8.761  -0.579   3.695
   68   3HG2  THR   7          3HG2      THR   7   7.122  -0.493   3.046
   69    H    LEU   8           H        LEU   8  10.325   3.455   2.556
   70    HA   LEU   8           HA       LEU   8  11.773   3.596   0.097
   71   1HB   LEU   8          1HB       LEU   8  12.062   4.544   2.769
   72   2HB   LEU   8          2HB       LEU   8  13.556   3.736   2.350
   73    HG   LEU   8           HG       LEU   8  12.958   5.390   0.115
   74   1HD1  LEU   8          1HD1      LEU   8  12.530   6.900   2.688
   75   2HD1  LEU   8          2HD1      LEU   8  12.854   7.650   1.125
   76   3HD1  LEU   8          3HD1      LEU   8  11.385   6.702   1.361
   77   1HD2  LEU   8          1HD2      LEU   8  15.197   4.822   1.054
   78   2HD2  LEU   8          2HD2      LEU   8  14.995   6.521   0.631
   79   3HD2  LEU   8          3HD2      LEU   8  14.914   6.018   2.319
   80    H    ASP   9           H        ASP   9  11.443   0.933   2.306
   81    HA   ASP   9           HA       ASP   9  13.890  -0.515   1.860
   82   1HB   ASP   9          1HB       ASP   9  11.272  -1.185   3.176
   83   2HB   ASP   9          2HB       ASP   9  12.434  -2.465   2.847
   84    H    GLY  10           H        GLY  10  10.648  -0.643   0.336
   85   1HA   GLY  10          2HA       GLY  10  11.605  -2.550  -1.734
   86   2HA   GLY  10          1HA       GLY  10  10.575  -1.175  -2.086
   87    H    LYS  11           H        LYS  11   8.460  -1.143  -0.682
   88    HA   LYS  11           HA       LYS  11   7.075  -3.733  -0.981
   89   1HB   LYS  11          1HB       LYS  11   7.142  -2.024   1.490
   90   2HB   LYS  11          2HB       LYS  11   5.704  -2.955   1.131
   91   1HG   LYS  11          1HG       LYS  11   6.976  -5.014   1.228
   92   2HG   LYS  11          2HG       LYS  11   8.468  -4.102   1.483
   93   1HD   LYS  11          1HD       LYS  11   7.271  -3.108   3.541
   94   2HD   LYS  11          2HD       LYS  11   6.121  -4.433   3.338
   95   1HE   LYS  11          1HE       LYS  11   8.165  -5.967   3.370
   96   2HE   LYS  11          2HE       LYS  11   9.051  -4.563   3.970
   97   1HZ   LYS  11          1HZ       LYS  11   7.461  -4.436   5.813
   98   2HZ   LYS  11          2HZ       LYS  11   6.696  -5.837   5.254
   99   3HZ   LYS  11          3HZ       LYS  11   8.295  -5.908   5.799
  100    H    THR  12           H        THR  12   4.955  -3.681  -1.669
  101    HA   THR  12           HA       THR  12   3.444  -1.204  -1.945
  102    HB   THR  12           HB       THR  12   2.770  -1.887  -4.371
  103    HG1  THR  12           HG1      THR  12   5.308  -3.174  -4.186
  104   1HG2  THR  12          1HG2      THR  12   4.237   0.108  -3.577
  105   2HG2  THR  12          2HG2      THR  12   5.571  -0.827  -4.252
  106   3HG2  THR  12          3HG2      THR  12   4.234  -0.328  -5.287
  107    H    ILE  13           H        ILE  13   1.628  -1.549  -0.947
  108    HA   ILE  13           HA       ILE  13  -0.114  -3.830  -1.456
  109    HB   ILE  13           HB       ILE  13  -0.597  -4.193   1.058
  110   1HG1  ILE  13          1HG1      ILE  13   2.205  -3.859   1.945
  111   2HG1  ILE  13          2HG1      ILE  13   1.490  -2.313   1.520
  112   1HG2  ILE  13          1HG2      ILE  13   1.908  -5.292  -0.203
  113   2HG2  ILE  13          2HG2      ILE  13   1.117  -5.976   1.217
  114   3HG2  ILE  13          3HG2      ILE  13   0.268  -5.928  -0.329
  115   1HD1  ILE  13          1HD1      ILE  13   0.157  -4.220   3.418
  116   2HD1  ILE  13          2HD1      ILE  13   1.343  -3.026   3.945
  117   3HD1  ILE  13          3HD1      ILE  13  -0.162  -2.500   3.187
  118    H    THR  14           H        THR  14  -2.268  -3.509  -1.229
  119    HA   THR  14           HA       THR  14  -3.223  -0.893  -0.275
  120    HB   THR  14           HB       THR  14  -3.418  -0.751  -2.672
  121    HG1  THR  14           HG1      THR  14  -5.110   0.279  -1.837
  122   1HG2  THR  14          1HG2      THR  14  -3.617  -3.262  -3.201
  123   2HG2  THR  14          2HG2      THR  14  -5.345  -3.065  -2.906
  124   3HG2  THR  14          3HG2      THR  14  -4.559  -2.142  -4.188
  125    H    LEU  15           H        LEU  15  -5.146  -0.686   0.793
  126    HA   LEU  15           HA       LEU  15  -6.328  -3.111   1.987
  127   1HB   LEU  15          1HB       LEU  15  -5.022  -1.114   3.296
  128   2HB   LEU  15          2HB       LEU  15  -6.664  -0.509   3.372
  129    HG   LEU  15           HG       LEU  15  -6.704  -3.296   4.154
  130   1HD1  LEU  15          1HD1      LEU  15  -4.687  -1.658   5.680
  131   2HD1  LEU  15          2HD1      LEU  15  -5.344  -3.213   6.193
  132   3HD1  LEU  15          3HD1      LEU  15  -4.366  -3.108   4.729
  133   1HD2  LEU  15          1HD2      LEU  15  -8.297  -1.469   4.815
  134   2HD2  LEU  15          2HD2      LEU  15  -7.761  -2.516   6.129
  135   3HD2  LEU  15          3HD2      LEU  15  -7.068  -0.904   5.948
  136    H    GLU  16           H        GLU  16  -8.416  -3.539   1.721
  137    HA   GLU  16           HA       GLU  16 -10.289  -1.524   0.632
  138   1HB   GLU  16          1HB       GLU  16  -9.633  -4.261  -0.387
  139   2HB   GLU  16          2HB       GLU  16 -11.289  -3.697  -0.544
  140   1HG   GLU  16          1HG       GLU  16 -10.260  -1.611  -1.655
  141   2HG   GLU  16          2HG       GLU  16  -8.796  -2.581  -1.802
  142    H    VAL  17           H        VAL  17 -12.407  -1.538   1.280
  143    HA   VAL  17           HA       VAL  17 -13.338  -3.481   3.290
  144    HB   VAL  17           HB       VAL  17 -14.619  -1.581   4.491
  145   1HG1  VAL  17          1HG1      VAL  17 -12.752  -2.896   5.421
  146   2HG1  VAL  17          2HG1      VAL  17 -11.644  -1.631   4.893
  147   3HG1  VAL  17          3HG1      VAL  17 -12.887  -1.270   6.090
  148   1HG2  VAL  17          1HG2      VAL  17 -12.455   0.206   3.317
  149   2HG2  VAL  17          2HG2      VAL  17 -14.189   0.358   3.036
  150   3HG2  VAL  17          3HG2      VAL  17 -13.531   0.639   4.648

  No H/Q in entry =         150
  Start of MODEL   17
    1    H1   MET   1           H1       MET   1 -14.290   1.161  -2.900
    2    H2   MET   1           H2       MET   1 -15.038   1.506  -1.424
    3    H3   MET   1           H3       MET   1 -15.360   2.465  -2.781
    4    HA   MET   1           HA       MET   1 -13.324   3.476  -2.768
    5   1HB   MET   1          1HB       MET   1 -12.949   4.317  -0.413
    6   2HB   MET   1          2HB       MET   1 -14.580   4.484  -1.011
    7   1HG   MET   1          1HG       MET   1 -13.869   2.189   0.805
    8   2HG   MET   1          2HG       MET   1 -14.158   3.795   1.468
    9   1HE   MET   1          1HE       MET   1 -16.287   5.142   1.106
   10   2HE   MET   1          2HE       MET   1 -17.844   4.339   1.320
   11   3HE   MET   1          3HE       MET   1 -16.579   4.147   2.534
   12    H    GLN   2           H        GLN   2 -11.148   3.490  -2.756
   13    HA   GLN   2           HA       GLN   2  -9.607   1.335  -1.472
   14   1HB   GLN   2          1HB       GLN   2  -9.833   1.914  -4.367
   15   2HB   GLN   2          2HB       GLN   2  -8.185   1.739  -3.790
   16   1HG   GLN   2          1HG       GLN   2  -8.380  -0.482  -3.480
   17   2HG   GLN   2          2HG       GLN   2 -10.050  -0.376  -2.925
   18   2HE2  GLN   2          2HE2      GLN   2  -7.946  -0.738  -5.716
   19   1HE2  GLN   2          1HE2      GLN   2  -9.197  -1.155  -6.834
   20    H    ILE   3           H        ILE   3  -7.611   1.814  -0.700
   21    HA   ILE   3           HA       ILE   3  -6.371   4.422  -1.115
   22    HB   ILE   3           HB       ILE   3  -5.741   4.519   1.369
   23   1HG1  ILE   3          1HG1      ILE   3  -6.635   2.420   2.319
   24   2HG1  ILE   3          2HG1      ILE   3  -7.300   3.797   3.146
   25   1HG2  ILE   3          1HG2      ILE   3  -7.122   6.127   0.074
   26   2HG2  ILE   3          2HG2      ILE   3  -8.548   5.396   0.814
   27   3HG2  ILE   3          3HG2      ILE   3  -7.324   6.163   1.826
   28   1HD1  ILE   3          1HD1      ILE   3  -9.370   3.140   1.447
   29   2HD1  ILE   3          2HD1      ILE   3  -8.654   1.561   1.764
   30   3HD1  ILE   3          3HD1      ILE   3  -9.209   2.565   3.105
   31    H    PHE   4           H        PHE   4  -4.327   4.324  -1.564
   32    HA   PHE   4           HA       PHE   4  -2.824   1.812  -1.377
   33   1HB   PHE   4          1HB       PHE   4  -2.942   4.098  -3.215
   34   2HB   PHE   4          2HB       PHE   4  -1.302   3.605  -2.863
   35    HD1  PHE   4           HD1      PHE   4  -4.655   2.424  -4.428
   36    HD2  PHE   4           HD2      PHE   4  -0.249   1.617  -3.915
   37    HE1  PHE   4           HE1      PHE   4  -4.757   0.661  -6.318
   38    HE2  PHE   4           HE2      PHE   4  -0.358  -0.135  -5.820
   39    HZ   PHE   4           HZ       PHE   4  -2.605  -0.612  -7.026
   40    H    VAL   5           H        VAL   5  -0.781   1.552  -0.523
   41    HA   VAL   5           HA       VAL   5   0.596   3.709   0.893
   42    HB   VAL   5           HB       VAL   5   1.097   2.141   2.902
   43   1HG1  VAL   5          1HG1      VAL   5  -0.131   4.202   3.101
   44   2HG1  VAL   5          2HG1      VAL   5  -1.629   3.385   2.655
   45   3HG1  VAL   5          3HG1      VAL   5  -0.815   2.971   4.163
   46   1HG2  VAL   5          1HG2      VAL   5  -0.005   0.042   2.102
   47   2HG2  VAL   5          2HG2      VAL   5  -0.612   0.580   3.667
   48   3HG2  VAL   5          3HG2      VAL   5  -1.569   0.851   2.212
   49    H    LYS   6           H        LYS   6   2.759   3.697   0.811
   50    HA   LYS   6           HA       LYS   6   4.200   1.368  -0.298
   51   1HB   LYS   6          1HB       LYS   6   3.746   3.739  -1.638
   52   2HB   LYS   6          2HB       LYS   6   5.344   4.004  -0.959
   53   1HG   LYS   6          1HG       LYS   6   6.298   2.257  -2.173
   54   2HG   LYS   6          2HG       LYS   6   4.739   1.494  -2.488
   55   1HD   LYS   6          1HD       LYS   6   4.167   3.074  -4.129
   56   2HD   LYS   6          2HD       LYS   6   5.408   4.211  -3.596
   57   1HE   LYS   6          1HE       LYS   6   7.145   2.868  -4.496
   58   2HE   LYS   6          2HE       LYS   6   6.052   1.510  -4.758
   59   1HZ   LYS   6          1HZ       LYS   6   5.892   4.120  -6.166
   60   2HZ   LYS   6          2HZ       LYS   6   6.562   2.706  -6.812
   61   3HZ   LYS   6          3HZ       LYS   6   4.911   2.772  -6.449
   62    H    THR   7           H        THR   7   6.251   0.897   0.407
   63    HA   THR   7           HA       THR   7   7.251   2.188   2.880
   64    HB   THR   7           HB       THR   7   8.584  -0.017   3.137
   65    HG1  THR   7           HG1      THR   7   8.084  -1.666   1.896
   66   1HG2  THR   7          1HG2      THR   7   5.650   0.305   3.617
   67   2HG2  THR   7          2HG2      THR   7   6.424  -1.237   3.981
   68   3HG2  THR   7          3HG2      THR   7   6.980   0.237   4.775
   69    H    LEU   8           H        LEU   8   9.427   2.682   3.197
   70    HA   LEU   8           HA       LEU   8  10.985   3.638   1.006
   71   1HB   LEU   8          1HB       LEU   8  11.356   3.519   3.995
   72   2HB   LEU   8          2HB       LEU   8  12.749   3.884   3.030
   73    HG   LEU   8           HG       LEU   8  11.879   5.892   4.068
   74   1HD1  LEU   8          1HD1      LEU   8  11.418   6.092   1.107
   75   2HD1  LEU   8          2HD1      LEU   8  11.538   7.462   2.210
   76   3HD1  LEU   8          3HD1      LEU   8  12.917   6.383   1.989
   77   1HD2  LEU   8          1HD2      LEU   8   9.219   5.465   2.714
   78   2HD2  LEU   8          2HD2      LEU   8   9.560   5.417   4.445
   79   3HD2  LEU   8          3HD2      LEU   8   9.702   6.935   3.561
   80    H    ASP   9           H        ASP   9  11.011   0.512   2.577
   81    HA   ASP   9           HA       ASP   9  13.700  -0.363   2.040
   82   1HB   ASP   9          1HB       ASP   9  11.625  -1.295   3.627
   83   2HB   ASP   9          2HB       ASP   9  11.763  -2.529   2.381
   84    H    GLY  10           H        GLY  10  10.597  -0.756   0.287
   85   1HA   GLY  10          2HA       GLY  10  11.964  -2.042  -2.020
   86   2HA   GLY  10          1HA       GLY  10  10.754  -0.785  -2.204
   87    H    LYS  11           H        LYS  11   8.688  -1.487  -0.617
   88    HA   LYS  11           HA       LYS  11   7.614  -3.971  -1.784
   89   1HB   LYS  11          1HB       LYS  11   8.031  -3.432   1.081
   90   2HB   LYS  11          2HB       LYS  11   6.380  -3.883   0.710
   91   1HG   LYS  11          1HG       LYS  11   6.946  -6.025   0.690
   92   2HG   LYS  11          2HG       LYS  11   8.040  -5.742  -0.655
   93   1HD   LYS  11          1HD       LYS  11   9.773  -6.263   0.660
   94   2HD   LYS  11          2HD       LYS  11   9.427  -4.869   1.674
   95   1HE   LYS  11          1HE       LYS  11   9.353  -6.529   3.247
   96   2HE   LYS  11          2HE       LYS  11   7.661  -6.535   2.750
   97   1HZ   LYS  11          1HZ       LYS  11   8.210  -8.358   1.207
   98   2HZ   LYS  11          2HZ       LYS  11   9.789  -8.387   1.815
   99   3HZ   LYS  11          3HZ       LYS  11   8.487  -8.772   2.823
  100    H    THR  12           H        THR  12   5.436  -3.992  -2.304
  101    HA   THR  12           HA       THR  12   3.779  -1.601  -1.809
  102    HB   THR  12           HB       THR  12   2.778  -1.971  -4.175
  103    HG1  THR  12           HG1      THR  12   5.323  -3.204  -4.534
  104   1HG2  THR  12          1HG2      THR  12   4.158   0.001  -3.448
  105   2HG2  THR  12          2HG2      THR  12   5.568  -0.825  -4.114
  106   3HG2  THR  12          3HG2      THR  12   4.233  -0.366  -5.171
  107    H    ILE  13           H        ILE  13   1.822  -1.945  -1.060
  108    HA   ILE  13           HA       ILE  13   0.206  -4.300  -1.557
  109    HB   ILE  13           HB       ILE  13  -0.328  -4.650   0.953
  110   1HG1  ILE  13          1HG1      ILE  13   2.410  -4.316   1.954
  111   2HG1  ILE  13          2HG1      ILE  13   1.802  -2.763   1.403
  112   1HG2  ILE  13          1HG2      ILE  13   2.219  -5.705  -0.251
  113   2HG2  ILE  13          2HG2      ILE  13   1.420  -6.388   1.166
  114   3HG2  ILE  13          3HG2      ILE  13   0.595  -6.377  -0.394
  115   1HD1  ILE  13          1HD1      ILE  13   0.362  -4.535   3.363
  116   2HD1  ILE  13          2HD1      ILE  13   1.443  -3.217   3.818
  117   3HD1  ILE  13          3HD1      ILE  13  -0.042  -2.873   2.929
  118    H    THR  14           H        THR  14  -1.952  -3.973  -1.497
  119    HA   THR  14           HA       THR  14  -2.968  -1.254  -1.193
  120    HB   THR  14           HB       THR  14  -5.192  -2.301  -1.962
  121    HG1  THR  14           HG1      THR  14  -5.162  -4.408  -2.069
  122   1HG2  THR  14          1HG2      THR  14  -3.342  -1.117  -3.408
  123   2HG2  THR  14          2HG2      THR  14  -3.221  -2.723  -4.129
  124   3HG2  THR  14          3HG2      THR  14  -4.766  -1.868  -4.128
  125    H    LEU  15           H        LEU  15  -4.551  -0.508   0.159
  126    HA   LEU  15           HA       LEU  15  -5.345  -2.155   2.465
  127   1HB   LEU  15          1HB       LEU  15  -3.946   0.167   2.600
  128   2HB   LEU  15          2HB       LEU  15  -5.570   0.820   2.616
  129    HG   LEU  15           HG       LEU  15  -5.442  -1.345   4.540
  130   1HD1  LEU  15          1HD1      LEU  15  -3.280   0.723   4.884
  131   2HD1  LEU  15          2HD1      LEU  15  -3.847  -0.366   6.150
  132   3HD1  LEU  15          3HD1      LEU  15  -3.071  -1.020   4.707
  133   1HD2  LEU  15          1HD2      LEU  15  -7.034   0.535   4.600
  134   2HD2  LEU  15          2HD2      LEU  15  -6.166   0.333   6.124
  135   3HD2  LEU  15          3HD2      LEU  15  -5.710   1.623   5.012
  136    H    GLU  16           H        GLU  16  -7.274  -2.985   2.187
  137    HA   GLU  16           HA       GLU  16  -9.493  -1.455   0.978
  138   1HB   GLU  16          1HB       GLU  16  -8.420  -4.143   0.260
  139   2HB   GLU  16          2HB       GLU  16 -10.168  -3.956   0.225
  140   1HG   GLU  16          1HG       GLU  16  -9.597  -1.830  -1.213
  141   2HG   GLU  16          2HG       GLU  16  -8.077  -2.676  -1.485
  142    H    VAL  17           H        VAL  17 -11.552  -1.699   1.782
  143    HA   VAL  17           HA       VAL  17 -11.873  -3.035   4.389
  144    HB   VAL  17           HB       VAL  17 -14.021  -1.613   4.642
  145   1HG1  VAL  17          1HG1      VAL  17 -12.020  -1.293   5.963
  146   2HG1  VAL  17          2HG1      VAL  17 -11.360  -0.215   4.732
  147   3HG1  VAL  17          3HG1      VAL  17 -12.812   0.245   5.621
  148   1HG2  VAL  17          1HG2      VAL  17 -14.151  -0.680   2.299
  149   2HG2  VAL  17          2HG2      VAL  17 -14.205   0.545   3.569
  150   3HG2  VAL  17          3HG2      VAL  17 -12.718   0.284   2.657

  No H/Q in entry =         150
  Start of MODEL   18
    1    H1   MET   1           H1       MET   1 -14.143   0.185  -2.029
    2    H2   MET   1           H2       MET   1 -14.043  -0.016  -0.352
    3    H3   MET   1           H3       MET   1 -15.144   1.087  -1.008
    4    HA   MET   1           HA       MET   1 -13.384   2.474  -1.815
    5   1HB   MET   1          1HB       MET   1 -14.207   2.178   0.787
    6   2HB   MET   1          2HB       MET   1 -12.463   2.055   0.972
    7   1HG   MET   1          1HG       MET   1 -12.110   4.241   0.388
    8   2HG   MET   1          2HG       MET   1 -13.559   4.328  -0.614
    9   1HE   MET   1          1HE       MET   1 -15.981   4.366   0.359
   10   2HE   MET   1          2HE       MET   1 -16.286   5.556   1.627
   11   3HE   MET   1          3HE       MET   1 -15.388   6.020   0.180
   12    H    GLN   2           H        GLN   2 -11.268   2.923  -2.300
   13    HA   GLN   2           HA       GLN   2  -9.156   0.945  -1.775
   14   1HB   GLN   2          1HB       GLN   2 -10.062   1.969  -4.433
   15   2HB   GLN   2          2HB       GLN   2  -8.330   1.801  -4.192
   16   1HG   GLN   2          1HG       GLN   2  -8.462  -0.509  -3.918
   17   2HG   GLN   2          2HG       GLN   2 -10.196  -0.466  -3.602
   18   2HE2  GLN   2          2HE2      GLN   2  -7.705  -0.449  -6.081
   19   1HE2  GLN   2          1HE2      GLN   2  -8.775  -0.694  -7.416
   20    H    ILE   3           H        ILE   3  -7.341   1.704  -0.987
   21    HA   ILE   3           HA       ILE   3  -6.353   4.399  -1.376
   22    HB   ILE   3           HB       ILE   3  -5.869   4.678   1.182
   23   1HG1  ILE   3          1HG1      ILE   3  -8.474   3.716   2.098
   24   2HG1  ILE   3          2HG1      ILE   3  -7.581   2.368   1.418
   25   1HG2  ILE   3          1HG2      ILE   3  -7.275   6.110  -0.309
   26   2HG2  ILE   3          2HG2      ILE   3  -8.686   5.230   0.279
   27   3HG2  ILE   3          3HG2      ILE   3  -7.700   6.166   1.403
   28   1HD1  ILE   3          1HD1      ILE   3  -6.378   4.172   3.486
   29   2HD1  ILE   3          2HD1      ILE   3  -7.385   2.787   3.907
   30   3HD1  ILE   3          3HD1      ILE   3  -5.882   2.546   3.014
   31    H    PHE   4           H        PHE   4  -4.336   4.352  -1.852
   32    HA   PHE   4           HA       PHE   4  -2.691   1.965  -1.483
   33   1HB   PHE   4          1HB       PHE   4  -2.808   4.238  -3.367
   34   2HB   PHE   4          2HB       PHE   4  -1.186   3.701  -2.995
   35    HD1  PHE   4           HD1      PHE   4  -4.562   2.597  -4.572
   36    HD2  PHE   4           HD2      PHE   4  -0.181   1.681  -4.025
   37    HE1  PHE   4           HE1      PHE   4  -4.698   0.821  -6.447
   38    HE2  PHE   4           HE2      PHE   4  -0.324  -0.085  -5.916
   39    HZ   PHE   4           HZ       PHE   4  -2.577  -0.514  -7.131
   40    H    VAL   5           H        VAL   5  -0.681   1.819  -0.563
   41    HA   VAL   5           HA       VAL   5   0.629   4.060   0.760
   42    HB   VAL   5           HB       VAL   5   1.049   2.662   2.911
   43   1HG1  VAL   5          1HG1      VAL   5  -0.181   4.744   2.869
   44   2HG1  VAL   5          2HG1      VAL   5  -1.668   3.877   2.488
   45   3HG1  VAL   5          3HG1      VAL   5  -0.872   3.621   4.041
   46   1HG2  VAL   5          1HG2      VAL   5  -0.031   0.509   2.272
   47   2HG2  VAL   5          2HG2      VAL   5  -0.722   1.194   3.745
   48   3HG2  VAL   5          3HG2      VAL   5  -1.593   1.324   2.217
   49    H    LYS   6           H        LYS   6   2.785   4.035   0.679
   50    HA   LYS   6           HA       LYS   6   4.207   1.622  -0.269
   51   1HB   LYS   6          1HB       LYS   6   3.875   3.926  -1.694
   52   2HB   LYS   6          2HB       LYS   6   5.399   4.267  -0.893
   53   1HG   LYS   6          1HG       LYS   6   6.468   2.425  -1.923
   54   2HG   LYS   6          2HG       LYS   6   4.937   1.742  -2.470
   55   1HD   LYS   6          1HD       LYS   6   4.763   3.169  -4.249
   56   2HD   LYS   6          2HD       LYS   6   5.617   4.483  -3.441
   57   1HE   LYS   6          1HE       LYS   6   7.730   3.491  -3.874
   58   2HE   LYS   6          2HE       LYS   6   6.991   1.971  -4.377
   59   1HZ   LYS   6          1HZ       LYS   6   6.014   3.167  -6.276
   60   2HZ   LYS   6          2HZ       LYS   6   6.843   4.566  -5.813
   61   3HZ   LYS   6          3HZ       LYS   6   7.707   3.195  -6.297
   62    H    THR   7           H        THR   7   6.219   1.100   0.497
   63    HA   THR   7           HA       THR   7   7.238   2.407   2.954
   64    HB   THR   7           HB       THR   7   8.375   0.093   3.340
   65    HG1  THR   7           HG1      THR   7   7.948  -1.190   1.700
   66   1HG2  THR   7          1HG2      THR   7   5.479   0.707   3.794
   67   2HG2  THR   7          2HG2      THR   7   6.149  -0.844   4.301
   68   3HG2  THR   7          3HG2      THR   7   6.806   0.657   4.954
   69    H    LEU   8           H        LEU   8   9.432   2.764   3.260
   70    HA   LEU   8           HA       LEU   8  11.078   3.432   1.027
   71   1HB   LEU   8          1HB       LEU   8  11.366   3.512   3.994
   72   2HB   LEU   8          2HB       LEU   8  12.824   3.670   3.036
   73    HG   LEU   8           HG       LEU   8  10.839   5.462   1.933
   74   1HD1  LEU   8          1HD1      LEU   8   9.823   5.318   4.206
   75   2HD1  LEU   8          2HD1      LEU   8  11.313   6.004   4.853
   76   3HD1  LEU   8          3HD1      LEU   8  10.333   6.935   3.720
   77   1HD2  LEU   8          1HD2      LEU   8  13.421   5.981   3.403
   78   2HD2  LEU   8          2HD2      LEU   8  13.194   5.840   1.659
   79   3HD2  LEU   8          3HD2      LEU   8  12.495   7.204   2.531
   80    H    ASP   9           H        ASP   9  10.778   0.397   2.670
   81    HA   ASP   9           HA       ASP   9  13.378  -0.776   2.345
   82   1HB   ASP   9          1HB       ASP   9  11.210  -1.467   3.814
   83   2HB   ASP   9          2HB       ASP   9  11.040  -2.603   2.482
   84    H    GLY  10           H        GLY  10  10.452  -0.766   0.286
   85   1HA   GLY  10          2HA       GLY  10  11.915  -2.059  -1.951
   86   2HA   GLY  10          1HA       GLY  10  10.701  -0.811  -2.147
   87    H    LYS  11           H        LYS  11   8.567  -1.630  -0.673
   88    HA   LYS  11           HA       LYS  11   7.519  -3.912  -2.153
   89   1HB   LYS  11          1HB       LYS  11   6.393  -4.919  -0.081
   90   2HB   LYS  11          2HB       LYS  11   8.101  -5.223  -0.266
   91   1HG   LYS  11          1HG       LYS  11   8.292  -3.182   1.437
   92   2HG   LYS  11          2HG       LYS  11   6.640  -3.657   1.829
   93   1HD   LYS  11          1HD       LYS  11   7.703  -6.060   2.015
   94   2HD   LYS  11          2HD       LYS  11   9.205  -5.161   2.209
   95   1HE   LYS  11          1HE       LYS  11   8.598  -5.351   4.395
   96   2HE   LYS  11          2HE       LYS  11   7.765  -3.847   4.014
   97   1HZ   LYS  11          1HZ       LYS  11   5.763  -5.236   3.537
   98   2HZ   LYS  11          2HZ       LYS  11   6.593  -6.571   4.163
   99   3HZ   LYS  11          3HZ       LYS  11   6.251  -5.246   5.158
  100    H    THR  12           H        THR  12   5.455  -3.739  -2.818
  101    HA   THR  12           HA       THR  12   3.802  -1.461  -1.886
  102    HB   THR  12           HB       THR  12   2.698  -1.615  -4.230
  103    HG1  THR  12           HG1      THR  12   3.631  -2.817  -5.694
  104   1HG2  THR  12          1HG2      THR  12   4.106   0.280  -3.447
  105   2HG2  THR  12          2HG2      THR  12   5.517  -0.539  -4.116
  106   3HG2  THR  12          3HG2      THR  12   4.218  -0.006  -5.184
  107    H    ILE  13           H        ILE  13   1.788  -1.772  -1.200
  108    HA   ILE  13           HA       ILE  13   0.159  -4.105  -1.793
  109    HB   ILE  13           HB       ILE  13  -0.420  -4.519   0.688
  110   1HG1  ILE  13          1HG1      ILE  13   2.277  -4.189   1.783
  111   2HG1  ILE  13          2HG1      ILE  13   1.690  -2.628   1.233
  112   1HG2  ILE  13          1HG2      ILE  13   2.176  -5.520  -0.457
  113   2HG2  ILE  13          2HG2      ILE  13   1.327  -6.248   0.908
  114   3HG2  ILE  13          3HG2      ILE  13   0.564  -6.200  -0.682
  115   1HD1  ILE  13          1HD1      ILE  13   0.235  -4.436   3.149
  116   2HD1  ILE  13          2HD1      ILE  13   1.226  -3.050   3.607
  117   3HD1  ILE  13          3HD1      ILE  13  -0.248  -2.809   2.668
  118    H    THR  14           H        THR  14  -2.022  -3.818  -1.679
  119    HA   THR  14           HA       THR  14  -3.054  -1.103  -1.374
  120    HB   THR  14           HB       THR  14  -5.276  -2.150  -2.116
  121    HG1  THR  14           HG1      THR  14  -3.547  -4.340  -2.718
  122   1HG2  THR  14          1HG2      THR  14  -2.906  -1.707  -3.793
  123   2HG2  THR  14          2HG2      THR  14  -4.210  -2.641  -4.528
  124   3HG2  THR  14          3HG2      THR  14  -4.536  -1.032  -3.884
  125    H    LEU  15           H        LEU  15  -4.604  -0.369   0.021
  126    HA   LEU  15           HA       LEU  15  -5.390  -2.050   2.305
  127   1HB   LEU  15          1HB       LEU  15  -3.943   0.339   2.371
  128   2HB   LEU  15          2HB       LEU  15  -5.572   0.853   2.749
  129    HG   LEU  15           HG       LEU  15  -4.966  -1.483   4.351
  130   1HD1  LEU  15          1HD1      LEU  15  -2.593  -0.721   3.945
  131   2HD1  LEU  15          2HD1      LEU  15  -2.997   0.724   4.870
  132   3HD1  LEU  15          3HD1      LEU  15  -3.095  -0.865   5.629
  133   1HD2  LEU  15          1HD2      LEU  15  -5.418   1.405   5.094
  134   2HD2  LEU  15          2HD2      LEU  15  -6.629   0.126   5.009
  135   3HD2  LEU  15          3HD2      LEU  15  -5.369   0.065   6.241
  136    H    GLU  16           H        GLU  16  -7.337  -2.797   1.978
  137    HA   GLU  16           HA       GLU  16  -9.516  -1.110   0.913
  138   1HB   GLU  16          1HB       GLU  16  -8.576  -3.813   0.082
  139   2HB   GLU  16          2HB       GLU  16 -10.314  -3.550   0.090
  140   1HG   GLU  16          1HG       GLU  16  -9.672  -1.398  -1.285
  141   2HG   GLU  16          2HG       GLU  16  -8.205  -2.313  -1.624
  142    H    VAL  17           H        VAL  17 -11.569  -1.293   1.750
  143    HA   VAL  17           HA       VAL  17 -11.865  -2.532   4.371
  144    HB   VAL  17           HB       VAL  17 -12.330  -0.074   4.022
  145   1HG1  VAL  17          1HG1      VAL  17 -13.554  -0.004   1.924
  146   2HG1  VAL  17          2HG1      VAL  17 -14.927  -0.815   2.681
  147   3HG1  VAL  17          3HG1      VAL  17 -14.449   0.795   3.216
  148   1HG2  VAL  17          1HG2      VAL  17 -13.115  -1.166   6.029
  149   2HG2  VAL  17          2HG2      VAL  17 -14.231   0.107   5.531
  150   3HG2  VAL  17          3HG2      VAL  17 -14.633  -1.585   5.236

  No H/Q in entry =         150
  Start of MODEL   19
    1    H1   MET   1           H1       MET   1 -13.817   0.546  -0.659
    2    H2   MET   1           H2       MET   1 -13.963   0.889   0.991
    3    H3   MET   1           H3       MET   1 -14.898   1.738  -0.136
    4    HA   MET   1           HA       MET   1 -13.144   2.950  -0.940
    5   1HB   MET   1          1HB       MET   1 -11.922   3.903   1.104
    6   2HB   MET   1          2HB       MET   1 -13.668   3.980   1.130
    7   1HG   MET   1          1HG       MET   1 -13.618   1.988   2.711
    8   2HG   MET   1          2HG       MET   1 -11.867   2.177   2.770
    9   1HE   MET   1          1HE       MET   1 -10.643   4.103   3.545
   10   2HE   MET   1          2HE       MET   1 -11.167   5.154   4.861
   11   3HE   MET   1          3HE       MET   1 -11.003   3.418   5.130
   12    H    GLN   2           H        GLN   2 -11.156   3.181  -1.781
   13    HA   GLN   2           HA       GLN   2  -9.068   1.188  -1.197
   14   1HB   GLN   2          1HB       GLN   2 -10.435   1.267  -3.577
   15   2HB   GLN   2          2HB       GLN   2  -9.059   2.291  -3.946
   16   1HG   GLN   2          1HG       GLN   2  -7.535   0.486  -3.348
   17   2HG   GLN   2          2HG       GLN   2  -8.904  -0.543  -2.932
   18   2HE2  GLN   2          2HE2      GLN   2  -7.053   0.884  -5.561
   19   1HE2  GLN   2          1HE2      GLN   2  -7.770  -0.058  -6.818
   20    H    ILE   3           H        ILE   3  -7.143   1.909  -0.652
   21    HA   ILE   3           HA       ILE   3  -6.059   4.483  -1.420
   22    HB   ILE   3           HB       ILE   3  -5.318   5.030   1.016
   23   1HG1  ILE   3          1HG1      ILE   3  -7.838   4.259   2.302
   24   2HG1  ILE   3          2HG1      ILE   3  -7.026   2.818   1.715
   25   1HG2  ILE   3          1HG2      ILE   3  -6.796   6.379  -0.430
   26   2HG2  ILE   3          2HG2      ILE   3  -8.192   5.566   0.276
   27   3HG2  ILE   3          3HG2      ILE   3  -7.146   6.562   1.289
   28   1HD1  ILE   3          1HD1      ILE   3  -5.386   4.742   3.252
   29   2HD1  ILE   3          2HD1      ILE   3  -6.615   3.829   4.130
   30   3HD1  ILE   3          3HD1      ILE   3  -5.357   2.978   3.233
   31    H    PHE   4           H        PHE   4  -4.068   4.344  -1.988
   32    HA   PHE   4           HA       PHE   4  -2.497   1.915  -1.619
   33   1HB   PHE   4          1HB       PHE   4  -2.544   4.205  -3.507
   34   2HB   PHE   4          2HB       PHE   4  -0.960   3.530  -3.202
   35    HD1  PHE   4           HD1      PHE   4  -4.488   2.686  -4.624
   36    HD2  PHE   4           HD2      PHE   4  -0.156   1.477  -4.305
   37    HE1  PHE   4           HE1      PHE   4  -4.829   0.959  -6.515
   38    HE2  PHE   4           HE2      PHE   4  -0.507  -0.243  -6.211
   39    HZ   PHE   4           HZ       PHE   4  -2.838  -0.501  -7.322
   40    H    VAL   5           H        VAL   5  -0.461   1.705  -0.740
   41    HA   VAL   5           HA       VAL   5   0.902   3.941   0.562
   42    HB   VAL   5           HB       VAL   5   1.406   2.488   2.654
   43   1HG1  VAL   5          1HG1      VAL   5   0.030   4.575   2.529
   44   2HG1  VAL   5          2HG1      VAL   5  -1.399   3.541   2.510
   45   3HG1  VAL   5          3HG1      VAL   5  -0.306   3.510   3.894
   46   1HG2  VAL   5          1HG2      VAL   5   0.349   0.337   2.017
   47   2HG2  VAL   5          2HG2      VAL   5  -0.346   0.989   3.501
   48   3HG2  VAL   5          3HG2      VAL   5  -1.228   1.124   1.977
   49    H    LYS   6           H        LYS   6   3.053   3.951   0.458
   50    HA   LYS   6           HA       LYS   6   4.534   1.573  -0.476
   51   1HB   LYS   6          1HB       LYS   6   4.003   3.746  -2.057
   52   2HB   LYS   6          2HB       LYS   6   5.559   4.201  -1.385
   53   1HG   LYS   6          1HG       LYS   6   6.649   2.358  -2.356
   54   2HG   LYS   6          2HG       LYS   6   5.132   1.526  -2.694
   55   1HD   LYS   6          1HD       LYS   6   4.679   2.791  -4.560
   56   2HD   LYS   6          2HD       LYS   6   5.586   4.189  -3.982
   57   1HE   LYS   6          1HE       LYS   6   7.656   3.210  -4.567
   58   2HE   LYS   6          2HE       LYS   6   6.926   1.620  -4.796
   59   1HZ   LYS   6          1HZ       LYS   6   5.715   2.510  -6.705
   60   2HZ   LYS   6          2HZ       LYS   6   6.461   4.013  -6.494
   61   3HZ   LYS   6          3HZ       LYS   6   7.387   2.660  -6.913
   62    H    THR   7           H        THR   7   6.615   1.233   0.226
   63    HA   THR   7           HA       THR   7   7.724   2.885   2.427
   64    HB   THR   7           HB       THR   7   8.852   0.684   3.188
   65    HG1  THR   7           HG1      THR   7   7.825  -1.209   2.610
   66   1HG2  THR   7          1HG2      THR   7   5.977   1.386   3.613
   67   2HG2  THR   7          2HG2      THR   7   6.628  -0.090   4.327
   68   3HG2  THR   7          3HG2      THR   7   7.334   1.474   4.736
   69    H    LEU   8           H        LEU   8   9.955   3.213   2.564
   70    HA   LEU   8           HA       LEU   8  11.483   3.454   0.165
   71   1HB   LEU   8          1HB       LEU   8  11.947   4.010   3.058
   72   2HB   LEU   8          2HB       LEU   8  13.350   3.951   2.013
   73    HG   LEU   8           HG       LEU   8  11.365   5.611   0.725
   74   1HD1  LEU   8          1HD1      LEU   8  10.436   5.895   3.007
   75   2HD1  LEU   8          2HD1      LEU   8  11.984   6.576   3.507
   76   3HD1  LEU   8          3HD1      LEU   8  11.020   7.390   2.274
   77   1HD2  LEU   8          1HD2      LEU   8  13.803   5.756   0.401
   78   2HD2  LEU   8          2HD2      LEU   8  13.073   7.313   0.790
   79   3HD2  LEU   8          3HD2      LEU   8  13.963   6.423   2.026
   80    H    ASP   9           H        ASP   9  11.256   0.767   2.374
   81    HA   ASP   9           HA       ASP   9  13.808  -0.511   2.000
   82   1HB   ASP   9          1HB       ASP   9  11.862  -0.822   3.852
   83   2HB   ASP   9          2HB       ASP   9  11.501  -2.197   2.817
   84    H    GLY  10           H        GLY  10  10.608  -0.908   0.416
   85   1HA   GLY  10          2HA       GLY  10  11.744  -2.775  -1.601
   86   2HA   GLY  10          1HA       GLY  10  10.696  -1.437  -2.033
   87    H    LYS  11           H        LYS  11   8.586  -1.503  -0.403
   88    HA   LYS  11           HA       LYS  11   7.193  -4.037  -0.983
   89   1HB   LYS  11          1HB       LYS  11   7.420  -2.719   1.714
   90   2HB   LYS  11          2HB       LYS  11   5.963  -3.606   1.310
   91   1HG   LYS  11          1HG       LYS  11   6.921  -5.577   1.718
   92   2HG   LYS  11          2HG       LYS  11   8.313  -5.203   0.716
   93   1HD   LYS  11          1HD       LYS  11   9.572  -5.105   2.563
   94   2HD   LYS  11          2HD       LYS  11   8.681  -3.678   3.073
   95   1HE   LYS  11          1HE       LYS  11   6.976  -5.433   4.007
   96   2HE   LYS  11          2HE       LYS  11   8.350  -6.533   3.912
   97   1HZ   LYS  11          1HZ       LYS  11   8.375  -3.939   5.355
   98   2HZ   LYS  11          2HZ       LYS  11   8.108  -5.439   6.093
   99   3HZ   LYS  11          3HZ       LYS  11   9.596  -5.110   5.358
  100    H    THR  12           H        THR  12   5.025  -3.906  -1.499
  101    HA   THR  12           HA       THR  12   3.579  -1.347  -1.445
  102    HB   THR  12           HB       THR  12   2.630  -1.933  -3.793
  103    HG1  THR  12           HG1      THR  12   3.525  -3.866  -4.289
  104   1HG2  THR  12          1HG2      THR  12   5.341  -0.740  -3.303
  105   2HG2  THR  12          2HG2      THR  12   4.667  -0.828  -4.930
  106   3HG2  THR  12          3HG2      THR  12   3.818   0.072  -3.672
  107    H    ILE  13           H        ILE  13   1.551  -1.498  -0.745
  108    HA   ILE  13           HA       ILE  13  -0.094  -3.894  -0.988
  109    HB   ILE  13           HB       ILE  13  -0.785  -3.843   1.491
  110   1HG1  ILE  13          1HG1      ILE  13   1.876  -3.218   2.591
  111   2HG1  ILE  13          2HG1      ILE  13   1.211  -1.808   1.782
  112   1HG2  ILE  13          1HG2      ILE  13   1.874  -4.992   0.667
  113   2HG2  ILE  13          2HG2      ILE  13   0.998  -5.452   2.127
  114   3HG2  ILE  13          3HG2      ILE  13   0.280  -5.742   0.540
  115   1HD1  ILE  13          1HD1      ILE  13  -0.240  -3.358   3.914
  116   2HD1  ILE  13          2HD1      ILE  13   0.738  -1.920   4.217
  117   3HD1  ILE  13          3HD1      ILE  13  -0.708  -1.807   3.212
  118    H    THR  14           H        THR  14  -2.257  -3.608  -1.057
  119    HA   THR  14           HA       THR  14  -3.332  -0.858  -1.073
  120    HB   THR  14           HB       THR  14  -5.367  -1.936  -2.219
  121    HG1  THR  14           HG1      THR  14  -5.247  -4.059  -2.239
  122   1HG2  THR  14          1HG2      THR  14  -3.459  -0.642  -3.335
  123   2HG2  THR  14          2HG2      THR  14  -2.921  -2.219  -3.913
  124   3HG2  THR  14          3HG2      THR  14  -4.525  -1.621  -4.341
  125    H    LEU  15           H        LEU  15  -5.156  -0.204   0.032
  126    HA   LEU  15           HA       LEU  15  -6.105  -1.921   2.226
  127   1HB   LEU  15          1HB       LEU  15  -5.007   0.537   2.468
  128   2HB   LEU  15          2HB       LEU  15  -6.679   1.012   2.258
  129    HG   LEU  15           HG       LEU  15  -6.560  -1.103   4.245
  130   1HD1  LEU  15          1HD1      LEU  15  -4.205  -0.236   4.508
  131   2HD1  LEU  15          2HD1      LEU  15  -4.920   1.274   5.068
  132   3HD1  LEU  15          3HD1      LEU  15  -5.211  -0.222   5.956
  133   1HD2  LEU  15          1HD2      LEU  15  -8.369   0.541   4.065
  134   2HD2  LEU  15          2HD2      LEU  15  -7.663   0.522   5.681
  135   3HD2  LEU  15          3HD2      LEU  15  -7.258   1.819   4.556
  136    H    GLU  16           H        GLU  16  -7.713  -3.087   1.497
  137    HA   GLU  16           HA       GLU  16 -10.012  -1.876   0.091
  138   1HB   GLU  16          1HB       GLU  16  -8.412  -4.318  -0.504
  139   2HB   GLU  16          2HB       GLU  16 -10.144  -4.422  -0.779
  140   1HG   GLU  16          1HG       GLU  16  -9.881  -2.296  -2.173
  141   2HG   GLU  16          2HG       GLU  16  -8.147  -2.595  -2.096
  142    H    VAL  17           H        VAL  17 -12.095  -2.518   0.592
  143    HA   VAL  17           HA       VAL  17 -12.537  -3.764   3.185
  144    HB   VAL  17           HB       VAL  17 -13.498  -1.498   2.615
  145   1HG1  VAL  17          1HG1      VAL  17 -14.336  -1.838   0.331
  146   2HG1  VAL  17          2HG1      VAL  17 -15.633  -2.850   0.970
  147   3HG1  VAL  17          3HG1      VAL  17 -15.546  -1.145   1.409
  148   1HG2  VAL  17          1HG2      VAL  17 -14.369  -3.048   4.451
  149   2HG2  VAL  17          2HG2      VAL  17 -15.344  -1.649   4.001
  150   3HG2  VAL  17          3HG2      VAL  17 -15.782  -3.255   3.419

  No H/Q in entry =         150
  Start of MODEL   20
    1    H1   MET   1           H1       MET   1 -13.980   0.129  -1.823
    2    H2   MET   1           H2       MET   1 -13.791  -0.064  -0.154
    3    H3   MET   1           H3       MET   1 -14.932   1.031  -0.754
    4    HA   MET   1           HA       MET   1 -13.189   2.388  -1.702
    5   1HB   MET   1          1HB       MET   1 -13.987   2.206   0.923
    6   2HB   MET   1          2HB       MET   1 -12.239   2.120   1.091
    7   1HG   MET   1          1HG       MET   1 -11.926   4.274   0.344
    8   2HG   MET   1          2HG       MET   1 -13.434   4.294  -0.571
    9   1HE   MET   1          1HE       MET   1 -15.808   4.347   0.566
   10   2HE   MET   1          2HE       MET   1 -16.032   5.622   1.766
   11   3HE   MET   1          3HE       MET   1 -15.235   5.983   0.234
   12    H    GLN   2           H        GLN   2 -11.081   2.820  -2.226
   13    HA   GLN   2           HA       GLN   2  -8.944   0.906  -1.595
   14   1HB   GLN   2          1HB       GLN   2 -10.070   0.839  -4.063
   15   2HB   GLN   2          2HB       GLN   2  -8.869   2.088  -4.337
   16   1HG   GLN   2          1HG       GLN   2  -7.176   0.412  -3.379
   17   2HG   GLN   2          2HG       GLN   2  -8.439  -0.794  -3.597
   18   2HE2  GLN   2          2HE2      GLN   2  -8.869  -1.580  -5.658
   19   1HE2  GLN   2          1HE2      GLN   2  -7.945  -1.123  -7.044
   20    H    ILE   3           H        ILE   3  -7.151   1.755  -0.866
   21    HA   ILE   3           HA       ILE   3  -6.187   4.420  -1.461
   22    HB   ILE   3           HB       ILE   3  -5.705   4.898   1.065
   23   1HG1  ILE   3          1HG1      ILE   3  -8.288   3.983   2.076
   24   2HG1  ILE   3          2HG1      ILE   3  -7.400   2.592   1.479
   25   1HG2  ILE   3          1HG2      ILE   3  -8.384   5.350  -0.223
   26   2HG2  ILE   3          2HG2      ILE   3  -7.872   6.160   1.257
   27   3HG2  ILE   3          3HG2      ILE   3  -6.967   6.402  -0.237
   28   1HD1  ILE   3          1HD1      ILE   3  -6.204   4.546   3.415
   29   2HD1  ILE   3          2HD1      ILE   3  -7.159   3.152   3.922
   30   3HD1  ILE   3          3HD1      ILE   3  -5.660   2.914   3.022
   31    H    PHE   4           H        PHE   4  -4.160   4.346  -1.930
   32    HA   PHE   4           HA       PHE   4  -2.536   1.982  -1.447
   33   1HB   PHE   4          1HB       PHE   4  -2.553   4.237  -3.359
   34   2HB   PHE   4          2HB       PHE   4  -0.955   3.669  -2.933
   35    HD1  PHE   4           HD1      PHE   4  -4.305   2.628  -4.603
   36    HD2  PHE   4           HD2      PHE   4   0.030   1.603  -3.900
   37    HE1  PHE   4           HE1      PHE   4  -4.428   0.830  -6.456
   38    HE2  PHE   4           HE2      PHE   4  -0.101  -0.187  -5.769
   39    HZ   PHE   4           HZ       PHE   4  -2.323  -0.572  -7.051
   40    H    VAL   5           H        VAL   5  -0.657   1.764  -0.365
   41    HA   VAL   5           HA       VAL   5   0.624   3.991   1.027
   42    HB   VAL   5           HB       VAL   5  -1.066   2.980   2.612
   43   1HG1  VAL   5          1HG1      VAL   5  -1.029   0.617   2.152
   44   2HG1  VAL   5          2HG1      VAL   5   0.633   0.494   2.728
   45   3HG1  VAL   5          3HG1      VAL   5  -0.664   0.907   3.852
   46   1HG2  VAL   5          1HG2      VAL   5   0.791   4.252   3.507
   47   2HG2  VAL   5          2HG2      VAL   5   0.307   2.969   4.615
   48   3HG2  VAL   5          3HG2      VAL   5   1.760   2.785   3.631
   49    H    LYS   6           H        LYS   6   2.753   4.035   0.682
   50    HA   LYS   6           HA       LYS   6   4.216   1.640  -0.245
   51   1HB   LYS   6          1HB       LYS   6   3.773   3.923  -1.677
   52   2HB   LYS   6          2HB       LYS   6   5.323   4.300  -0.945
   53   1HG   LYS   6          1HG       LYS   6   6.394   2.493  -2.015
   54   2HG   LYS   6          2HG       LYS   6   4.864   1.736  -2.452
   55   1HD   LYS   6          1HD       LYS   6   4.503   3.145  -4.232
   56   2HD   LYS   6          2HD       LYS   6   5.426   4.472  -3.526
   57   1HE   LYS   6          1HE       LYS   6   7.487   3.485  -4.127
   58   2HE   LYS   6          2HE       LYS   6   6.728   1.935  -4.489
   59   1HZ   LYS   6          1HZ       LYS   6   5.575   3.015  -6.351
   60   2HZ   LYS   6          2HZ       LYS   6   6.401   4.455  -6.026
   61   3HZ   LYS   6          3HZ       LYS   6   7.258   3.082  -6.518
   62    H    THR   7           H        THR   7   6.259   1.169   0.457
   63    HA   THR   7           HA       THR   7   7.358   2.564   2.833
   64    HB   THR   7           HB       THR   7   8.493   0.260   3.286
   65    HG1  THR   7           HG1      THR   7   7.971  -1.225   1.903
   66   1HG2  THR   7          1HG2      THR   7   5.647   0.977   3.850
   67   2HG2  THR   7          2HG2      THR   7   6.248  -0.609   4.333
   68   3HG2  THR   7          3HG2      THR   7   7.018   0.852   4.952
   69    H    LEU   8           H        LEU   8   9.564   2.916   3.039
   70    HA   LEU   8           HA       LEU   8  11.128   3.464   0.718
   71   1HB   LEU   8          1HB       LEU   8  11.192   4.075   3.508
   72   2HB   LEU   8          2HB       LEU   8  12.776   3.474   3.067
   73    HG   LEU   8           HG       LEU   8  12.105   5.349   1.036
   74   1HD1  LEU   8          1HD1      LEU   8  11.413   6.449   3.758
   75   2HD1  LEU   8          2HD1      LEU   8  11.736   7.435   2.331
   76   3HD1  LEU   8          3HD1      LEU   8  10.359   6.332   2.348
   77   1HD2  LEU   8          1HD2      LEU   8  13.952   5.616   3.404
   78   2HD2  LEU   8          2HD2      LEU   8  14.355   5.006   1.799
   79   3HD2  LEU   8          3HD2      LEU   8  13.933   6.705   2.017
   80    H    ASP   9           H        ASP   9  10.873   0.510   2.506
   81    HA   ASP   9           HA       ASP   9  13.457  -0.689   2.143
   82   1HB   ASP   9          1HB       ASP   9  11.311  -1.302   3.700
   83   2HB   ASP   9          2HB       ASP   9  11.146  -2.518   2.439
   84    H    GLY  10           H        GLY  10  10.459  -0.762   0.192
   85   1HA   GLY  10          2HA       GLY  10  11.836  -2.170  -2.032
   86   2HA   GLY  10          1HA       GLY  10  10.629  -0.917  -2.247
   87    H    LYS  11           H        LYS  11   8.541  -1.646  -0.654
   88    HA   LYS  11           HA       LYS  11   7.415  -3.975  -1.997
   89   1HB   LYS  11          1HB       LYS  11   6.347  -4.870   0.157
   90   2HB   LYS  11          2HB       LYS  11   8.041  -5.215  -0.084
   91   1HG   LYS  11          1HG       LYS  11   8.277  -3.055   1.520
   92   2HG   LYS  11          2HG       LYS  11   6.681  -3.601   2.031
   93   1HD   LYS  11          1HD       LYS  11   7.810  -5.919   2.280
   94   2HD   LYS  11          2HD       LYS  11   9.325  -5.016   2.228
   95   1HE   LYS  11          1HE       LYS  11   8.793  -3.820   4.195
   96   2HE   LYS  11          2HE       LYS  11   7.108  -4.337   4.144
   97   1HZ   LYS  11          1HZ       LYS  11   9.437  -6.115   4.633
   98   2HZ   LYS  11          2HZ       LYS  11   8.376  -5.542   5.819
   99   3HZ   LYS  11          3HZ       LYS  11   7.814  -6.592   4.616
  100    H    THR  12           H        THR  12   5.341  -3.793  -2.609
  101    HA   THR  12           HA       THR  12   3.740  -1.462  -1.714
  102    HB   THR  12           HB       THR  12   2.574  -1.682  -4.022
  103    HG1  THR  12           HG1      THR  12   3.559  -3.592  -4.740
  104   1HG2  THR  12          1HG2      THR  12   3.932   0.254  -3.423
  105   2HG2  THR  12          2HG2      THR  12   5.395  -0.610  -3.894
  106   3HG2  THR  12          3HG2      THR  12   4.191  -0.189  -5.111
  107    H    ILE  13           H        ILE  13   1.703  -1.707  -1.030
  108    HA   ILE  13           HA       ILE  13   0.067  -4.063  -1.493
  109    HB   ILE  13           HB       ILE  13  -0.526  -4.333   1.003
  110   1HG1  ILE  13          1HG1      ILE  13   2.165  -3.940   2.092
  111   2HG1  ILE  13          2HG1      ILE  13   1.581  -2.413   1.450
  112   1HG2  ILE  13          1HG2      ILE  13   2.059  -5.402  -0.100
  113   2HG2  ILE  13          2HG2      ILE  13   1.255  -6.032   1.338
  114   3HG2  ILE  13          3HG2      ILE  13   0.446  -6.105  -0.229
  115   1HD1  ILE  13          1HD1      ILE  13   0.041  -4.096   3.411
  116   2HD1  ILE  13          2HD1      ILE  13   1.124  -2.780   3.870
  117   3HD1  ILE  13          3HD1      ILE  13  -0.313  -2.442   2.903
  118    H    THR  14           H        THR  14  -2.097  -3.747  -1.462
  119    HA   THR  14           HA       THR  14  -3.118  -1.009  -1.245
  120    HB   THR  14           HB       THR  14  -5.302  -2.022  -2.123
  121    HG1  THR  14           HG1      THR  14  -5.358  -4.126  -2.267
  122   1HG2  THR  14          1HG2      THR  14  -3.444  -0.893  -3.514
  123   2HG2  THR  14          2HG2      THR  14  -3.145  -2.524  -4.117
  124   3HG2  THR  14          3HG2      THR  14  -4.734  -1.781  -4.324
  125    H    LEU  15           H        LEU  15  -4.754  -0.272   0.071
  126    HA   LEU  15           HA       LEU  15  -5.618  -1.966   2.321
  127   1HB   LEU  15          1HB       LEU  15  -4.223   0.425   2.480
  128   2HB   LEU  15          2HB       LEU  15  -5.877   0.953   2.703
  129    HG   LEU  15           HG       LEU  15  -5.408  -1.357   4.399
  130   1HD1  LEU  15          1HD1      LEU  15  -3.022  -0.625   4.228
  131   2HD1  LEU  15          2HD1      LEU  15  -3.499   0.890   4.993
  132   3HD1  LEU  15          3HD1      LEU  15  -3.688  -0.635   5.860
  133   1HD2  LEU  15          1HD2      LEU  15  -5.930   1.537   5.078
  134   2HD2  LEU  15          2HD2      LEU  15  -7.142   0.278   4.839
  135   3HD2  LEU  15          3HD2      LEU  15  -6.033   0.186   6.208
  136    H    GLU  16           H        GLU  16  -7.478  -2.814   1.803
  137    HA   GLU  16           HA       GLU  16  -9.677  -1.203   0.668
  138   1HB   GLU  16          1HB       GLU  16  -8.571  -3.848  -0.145
  139   2HB   GLU  16          2HB       GLU  16 -10.316  -3.658  -0.236
  140   1HG   GLU  16          1HG       GLU  16  -9.688  -1.458  -1.542
  141   2HG   GLU  16          2HG       GLU  16  -8.166  -2.305  -1.809
  142    H    VAL  17           H        VAL  17 -11.763  -1.494   1.388
  143    HA   VAL  17           HA       VAL  17 -12.144  -2.812   3.962
  144    HB   VAL  17           HB       VAL  17 -12.676  -0.361   3.656
  145   1HG1  VAL  17          1HG1      VAL  17 -15.101  -1.199   2.076
  146   2HG1  VAL  17          2HG1      VAL  17 -14.885   0.387   2.818
  147   3HG1  VAL  17          3HG1      VAL  17 -13.780  -0.154   1.553
  148   1HG2  VAL  17          1HG2      VAL  17 -13.627  -1.850   5.496
  149   2HG2  VAL  17          2HG2      VAL  17 -14.350  -0.261   5.252
  150   3HG2  VAL  17          3HG2      VAL  17 -15.162  -1.703   4.641

  No H/Q in entry =         150
  Start of MODEL   21
    1    H1   MET   1           H1       MET   1 -13.946   0.177  -2.506
    2    H2   MET   1           H2       MET   1 -13.929  -0.121  -0.840
    3    H3   MET   1           H3       MET   1 -15.023   0.994  -1.488
    4    HA   MET   1           HA       MET   1 -13.259   2.464  -2.119
    5   1HB   MET   1          1HB       MET   1 -14.207   1.990   0.418
    6   2HB   MET   1          2HB       MET   1 -12.470   1.915   0.683
    7   1HG   MET   1          1HG       MET   1 -12.163   4.142   0.184
    8   2HG   MET   1          2HG       MET   1 -13.621   4.235  -0.806
    9   1HE   MET   1          1HE       MET   1 -16.050   4.129   0.196
   10   2HE   MET   1          2HE       MET   1 -16.364   5.264   1.510
   11   3HE   MET   1          3HE       MET   1 -15.493   5.800   0.073
   12    H    GLN   2           H        GLN   2 -11.134   2.985  -2.470
   13    HA   GLN   2           HA       GLN   2  -8.996   1.042  -1.925
   14   1HB   GLN   2          1HB       GLN   2  -9.825   2.103  -4.586
   15   2HB   GLN   2          2HB       GLN   2  -8.096   2.055  -4.275
   16   1HG   GLN   2          1HG       GLN   2  -8.075  -0.273  -4.055
   17   2HG   GLN   2          2HG       GLN   2  -9.825  -0.359  -3.861
   18   2HE2  GLN   2          2HE2      GLN   2  -7.179  -0.092  -6.155
   19   1HE2  GLN   2          1HE2      GLN   2  -8.136  -0.358  -7.569
   20    H    ILE   3           H        ILE   3  -7.246   1.817  -1.020
   21    HA   ILE   3           HA       ILE   3  -6.284   4.532  -1.276
   22    HB   ILE   3           HB       ILE   3  -5.965   4.769   1.313
   23   1HG1  ILE   3          2HG1      ILE   3  -8.608   3.774   2.054
   24   2HG1  ILE   3          1HG1      ILE   3  -7.674   2.442   1.395
   25   1HG2  ILE   3          1HG2      ILE   3  -7.194   6.319  -0.078
   26   2HG2  ILE   3          2HG2      ILE   3  -8.644   5.324   0.049
   27   3HG2  ILE   3          3HG2      ILE   3  -7.994   6.123   1.481
   28   1HD1  ILE   3          1HD1      ILE   3  -6.548   4.195   3.540
   29   2HD1  ILE   3          2HD1      ILE   3  -7.629   2.852   3.913
   30   3HD1  ILE   3          3HD1      ILE   3  -6.096   2.550   3.093
   31    H    PHE   4           H        PHE   4  -4.249   4.500  -1.644
   32    HA   PHE   4           HA       PHE   4  -2.625   2.117  -1.266
   33   1HB   PHE   4          1HB       PHE   4  -2.596   4.494  -3.022
   34   2HB   PHE   4          2HB       PHE   4  -1.006   3.930  -2.560
   35    HD1  PHE   4           HD1      PHE   4  -4.257   2.914  -4.434
   36    HD2  PHE   4           HD2      PHE   4   0.073   1.960  -3.615
   37    HE1  PHE   4           HE1      PHE   4  -4.258   1.224  -6.390
   38    HE2  PHE   4           HE2      PHE   4   0.066   0.283  -5.590
   39    HZ   PHE   4           HZ       PHE   4  -2.093  -0.083  -6.983
   40    H    VAL   5           H        VAL   5  -0.714   1.875  -0.223
   41    HA   VAL   5           HA       VAL   5   0.573   3.987   1.303
   42    HB   VAL   5           HB       VAL   5   0.796   2.475   3.405
   43   1HG1  VAL   5          1HG1      VAL   5  -0.342   4.597   3.413
   44   2HG1  VAL   5          2HG1      VAL   5  -1.830   3.831   2.855
   45   3HG1  VAL   5          3HG1      VAL   5  -1.183   3.442   4.448
   46   1HG2  VAL   5          1HG2      VAL   5  -0.395   0.427   2.455
   47   2HG2  VAL   5          2HG2      VAL   5  -0.937   0.957   4.048
   48   3HG2  VAL   5          3HG2      VAL   5  -1.901   1.329   2.620
   49    H    LYS   6           H        LYS   6   2.711   3.902   1.201
   50    HA   LYS   6           HA       LYS   6   4.088   1.428   0.326
   51   1HB   LYS   6          1HB       LYS   6   4.263   4.231  -0.706
   52   2HB   LYS   6          2HB       LYS   6   5.734   3.271  -0.698
   53   1HG   LYS   6          1HG       LYS   6   4.411   1.506  -1.968
   54   2HG   LYS   6          2HG       LYS   6   3.175   2.745  -2.186
   55   1HD   LYS   6          1HD       LYS   6   5.040   4.201  -3.145
   56   2HD   LYS   6          2HD       LYS   6   6.008   2.727  -3.200
   57   1HE   LYS   6          1HE       LYS   6   4.410   1.677  -4.667
   58   2HE   LYS   6          2HE       LYS   6   3.317   3.054  -4.520
   59   1HZ   LYS   6          1HZ       LYS   6   6.024   3.119  -5.741
   60   2HZ   LYS   6          2HZ       LYS   6   4.559   3.126  -6.589
   61   3HZ   LYS   6          3HZ       LYS   6   4.974   4.437  -5.605
   62    H    THR   7           H        THR   7   6.069   0.891   1.134
   63    HA   THR   7           HA       THR   7   6.937   2.043   3.688
   64    HB   THR   7           HB       THR   7   8.582   0.017   3.590
   65    HG1  THR   7           HG1      THR   7   8.428  -1.072   1.800
   66   1HG2  THR   7          1HG2      THR   7   6.561   0.251   5.077
   67   2HG2  THR   7          2HG2      THR   7   5.660  -0.663   3.867
   68   3HG2  THR   7          3HG2      THR   7   7.026  -1.406   4.696
   69    H    LEU   8           H        LEU   8   8.068   1.792   0.346
   70    HA   LEU   8           HA       LEU   8   9.630   2.770  -0.955
   71   1HB   LEU   8          1HB       LEU   8  10.106   4.471   1.481
   72   2HB   LEU   8          2HB       LEU   8  11.305   4.509   0.206
   73    HG   LEU   8           HG       LEU   8   8.797   4.843  -1.103
   74   1HD1  LEU   8          1HD1      LEU   8   7.891   5.417   1.161
   75   2HD1  LEU   8          2HD1      LEU   8   8.976   6.807   1.169
   76   3HD1  LEU   8          3HD1      LEU   8   7.717   6.678  -0.059
   77   1HD2  LEU   8          1HD2      LEU   8  10.894   5.848  -1.832
   78   2HD2  LEU   8          2HD2      LEU   8   9.630   7.067  -1.669
   79   3HD2  LEU   8          3HD2      LEU   8  10.879   6.921  -0.432
   80    H    ASP   9           H        ASP   9  10.418   0.722   1.586
   81    HA   ASP   9           HA       ASP   9  13.266   0.381   1.335
   82   1HB   ASP   9          1HB       ASP   9  11.310  -0.466   3.151
   83   2HB   ASP   9          2HB       ASP   9  11.914  -1.950   2.427
   84    H    GLY  10           H        GLY  10  10.433  -1.250  -0.141
   85   1HA   GLY  10          2HA       GLY  10  11.817  -3.437  -1.401
   86   2HA   GLY  10          1HA       GLY  10  11.568  -2.106  -2.514
   87    H    LYS  11           H        LYS  11   9.520  -3.578   0.054
   88    HA   LYS  11           HA       LYS  11   7.610  -4.764  -1.737
   89   1HB   LYS  11          1HB       LYS  11   6.323  -5.382   0.371
   90   2HB   LYS  11          2HB       LYS  11   7.930  -6.036   0.223
   91   1HG   LYS  11          1HG       LYS  11   8.188  -5.448   2.380
   92   2HG   LYS  11          2HG       LYS  11   8.400  -3.805   1.781
   93   1HD   LYS  11          1HD       LYS  11   6.201  -3.195   2.325
   94   2HD   LYS  11          2HD       LYS  11   5.661  -4.871   2.429
   95   1HE   LYS  11          1HE       LYS  11   6.981  -5.178   4.458
   96   2HE   LYS  11          2HE       LYS  11   7.564  -3.518   4.343
   97   1HZ   LYS  11          1HZ       LYS  11   5.204  -2.804   4.519
   98   2HZ   LYS  11          2HZ       LYS  11   4.778  -4.408   4.841
   99   3HZ   LYS  11          3HZ       LYS  11   5.793  -3.572   5.905
  100    H    THR  12           H        THR  12   5.423  -4.386  -2.095
  101    HA   THR  12           HA       THR  12   4.178  -1.840  -1.274
  102    HB   THR  12           HB       THR  12   3.186  -1.678  -3.666
  103    HG1  THR  12           HG1      THR  12   4.403  -2.568  -5.313
  104   1HG2  THR  12          1HG2      THR  12   4.812  -0.063  -2.673
  105   2HG2  THR  12          2HG2      THR  12   6.117  -1.005  -3.395
  106   3HG2  THR  12          3HG2      THR  12   4.926  -0.209  -4.426
  107    H    ILE  13           H        ILE  13   2.070  -1.980  -0.718
  108    HA   ILE  13           HA       ILE  13   0.283  -4.115  -1.581
  109    HB   ILE  13           HB       ILE  13  -0.506  -4.619   0.823
  110   1HG1  ILE  13          1HG1      ILE  13   2.127  -4.570   2.111
  111   2HG1  ILE  13          2HG1      ILE  13   1.695  -2.937   1.629
  112   1HG2  ILE  13          1HG2      ILE  13   2.059  -5.759  -0.254
  113   2HG2  ILE  13          2HG2      ILE  13   1.131  -6.480   1.062
  114   3HG2  ILE  13          3HG2      ILE  13   0.409  -6.317  -0.539
  115   1HD1  ILE  13          1HD1      ILE  13  -0.064  -4.726   3.290
  116   2HD1  ILE  13          2HD1      ILE  13   1.048  -3.525   3.949
  117   3HD1  ILE  13          3HD1      ILE  13  -0.309  -3.013   2.944
  118    H    THR  14           H        THR  14  -1.877  -3.703  -1.553
  119    HA   THR  14           HA       THR  14  -2.775  -0.945  -1.161
  120    HB   THR  14           HB       THR  14  -5.004  -1.852  -2.095
  121    HG1  THR  14           HG1      THR  14  -4.617  -4.076  -1.848
  122   1HG2  THR  14          1HG2      THR  14  -2.508  -1.450  -3.621
  123   2HG2  THR  14          2HG2      THR  14  -3.878  -2.163  -4.473
  124   3HG2  THR  14          3HG2      THR  14  -4.055  -0.598  -3.684
  125    H    LEU  15           H        LEU  15  -4.403  -0.222   0.177
  126    HA   LEU  15           HA       LEU  15  -5.356  -2.006   2.317
  127   1HB   LEU  15          1HB       LEU  15  -3.909   0.326   2.633
  128   2HB   LEU  15          2HB       LEU  15  -5.551   0.905   2.818
  129    HG   LEU  15           HG       LEU  15  -5.235  -1.488   4.428
  130   1HD1  LEU  15          1HD1      LEU  15  -3.154   0.622   4.957
  131   2HD1  LEU  15          2HD1      LEU  15  -3.599  -0.667   6.074
  132   3HD1  LEU  15          3HD1      LEU  15  -2.873  -1.063   4.517
  133   1HD2  LEU  15          1HD2      LEU  15  -6.911   0.233   4.852
  134   2HD2  LEU  15          2HD2      LEU  15  -5.897  -0.032   6.271
  135   3HD2  LEU  15          3HD2      LEU  15  -5.639   1.385   5.255
  136    H    GLU  16           H        GLU  16  -7.255  -2.765   1.822
  137    HA   GLU  16           HA       GLU  16  -9.389  -1.065   0.687
  138   1HB   GLU  16          1HB       GLU  16  -8.363  -3.731  -0.161
  139   2HB   GLU  16          2HB       GLU  16 -10.099  -3.484  -0.262
  140   1HG   GLU  16          1HG       GLU  16  -9.406  -1.294  -1.532
  141   2HG   GLU  16          2HG       GLU  16  -7.893  -2.158  -1.782
  142    H    VAL  17           H        VAL  17 -11.493  -1.305   1.380
  143    HA   VAL  17           HA       VAL  17 -12.077  -3.108   3.628
  144    HB   VAL  17           HB       VAL  17 -11.628  -0.736   4.374
  145   1HG1  VAL  17          1HG1      VAL  17 -12.656   0.637   2.663
  146   2HG1  VAL  17          2HG1      VAL  17 -14.258   0.077   3.143
  147   3HG1  VAL  17          3HG1      VAL  17 -13.292   1.040   4.259
  148   1HG2  VAL  17          1HG2      VAL  17 -12.811  -2.228   5.846
  149   2HG2  VAL  17          2HG2      VAL  17 -13.419  -0.582   6.029
  150   3HG2  VAL  17          3HG2      VAL  17 -14.352  -1.773   5.122

  No H/Q in entry =         150
  Start of MODEL   22
    1    H1   MET   1           H1       MET   1 -13.885   1.154  -3.182
    2    H2   MET   1           H2       MET   1 -14.231   1.105  -1.526
    3    H3   MET   1           H3       MET   1 -14.846   2.356  -2.483
    4    HA   MET   1           HA       MET   1 -12.655   3.211  -2.888
    5   1HB   MET   1          1HB       MET   1 -14.125   3.376  -0.562
    6   2HB   MET   1          2HB       MET   1 -12.540   2.932   0.053
    7   1HG   MET   1          1HG       MET   1 -11.556   4.899  -0.710
    8   2HG   MET   1          2HG       MET   1 -12.860   5.221  -1.855
    9   1HE   MET   1          1HE       MET   1 -15.310   5.865  -1.107
   10   2HE   MET   1          2HE       MET   1 -15.394   7.221   0.020
   11   3HE   MET   1          3HE       MET   1 -14.311   7.295  -1.371
   12    H    GLN   2           H        GLN   2 -10.421   3.157  -2.744
   13    HA   GLN   2           HA       GLN   2  -9.027   0.856  -1.579
   14   1HB   GLN   2          1HB       GLN   2  -9.433   1.000  -4.323
   15   2HB   GLN   2          2HB       GLN   2  -7.854   1.749  -4.145
   16   1HG   GLN   2          1HG       GLN   2  -6.934  -0.209  -3.174
   17   2HG   GLN   2          2HG       GLN   2  -8.520  -0.945  -2.994
   18   2HE2  GLN   2          2HE2      GLN   2  -9.497  -1.955  -4.788
   19   1HE2  GLN   2          1HE2      GLN   2  -8.626  -2.250  -6.250
   20    H    ILE   3           H        ILE   3  -7.306   1.381  -0.409
   21    HA   ILE   3           HA       ILE   3  -6.084   4.029  -0.671
   22    HB   ILE   3           HB       ILE   3  -7.760   3.831   1.220
   23   1HG1  ILE   3          1HG1      ILE   3  -5.618   4.816   2.850
   24   2HG1  ILE   3          2HG1      ILE   3  -5.229   5.190   1.181
   25   1HG2  ILE   3          1HG2      ILE   3  -5.838   1.936   2.480
   26   2HG2  ILE   3          2HG2      ILE   3  -6.800   3.017   3.490
   27   3HG2  ILE   3          3HG2      ILE   3  -7.599   1.888   2.392
   28   1HD1  ILE   3          1HD1      ILE   3  -7.980   5.820   2.075
   29   2HD1  ILE   3          2HD1      ILE   3  -6.666   6.802   2.727
   30   3HD1  ILE   3          3HD1      ILE   3  -6.905   6.695   0.983
   31    H    PHE   4           H        PHE   4  -4.059   3.993  -1.257
   32    HA   PHE   4           HA       PHE   4  -2.368   1.616  -0.950
   33   1HB   PHE   4          1HB       PHE   4  -2.651   3.756  -2.980
   34   2HB   PHE   4          2HB       PHE   4  -0.998   3.268  -2.667
   35    HD1  PHE   4           HD1      PHE   4  -4.405   2.115  -4.078
   36    HD2  PHE   4           HD2      PHE   4  -0.059   1.056  -3.478
   37    HE1  PHE   4           HE1      PHE   4  -4.635   0.185  -5.775
   38    HE2  PHE   4           HE2      PHE   4  -0.303  -0.868  -5.191
   39    HZ   PHE   4           HZ       PHE   4  -2.588  -1.307  -6.343
   40    H    VAL   5           H        VAL   5  -0.419   1.535   0.016
   41    HA   VAL   5           HA       VAL   5   0.841   3.907   1.179
   42    HB   VAL   5           HB       VAL   5  -0.668   2.863   2.922
   43   1HG1  VAL   5          1HG1      VAL   5  -0.281   0.438   2.420
   44   2HG1  VAL   5          2HG1      VAL   5   1.252   0.575   3.280
   45   3HG1  VAL   5          3HG1      VAL   5  -0.266   0.878   4.128
   46   1HG2  VAL   5          1HG2      VAL   5   1.423   4.235   3.439
   47   2HG2  VAL   5          2HG2      VAL   5   0.663   3.337   4.752
   48   3HG2  VAL   5          3HG2      VAL   5   2.124   2.713   3.986
   49    H    LYS   6           H        LYS   6   2.943   4.062   0.723
   50    HA   LYS   6           HA       LYS   6   4.480   1.737  -0.258
   51   1HB   LYS   6          1HB       LYS   6   3.857   4.013  -1.648
   52   2HB   LYS   6          2HB       LYS   6   5.431   4.443  -1.000
   53   1HG   LYS   6          1HG       LYS   6   6.509   2.694  -2.146
   54   2HG   LYS   6          2HG       LYS   6   4.990   1.869  -2.493
   55   1HD   LYS   6          1HD       LYS   6   4.458   3.262  -4.244
   56   2HD   LYS   6          2HD       LYS   6   5.363   4.629  -3.589
   57   1HE   LYS   6          1HE       LYS   6   7.450   3.633  -4.246
   58   2HE   LYS   6          2HE       LYS   6   6.637   2.146  -4.735
   59   1HZ   LYS   6          1HZ       LYS   6   6.144   4.790  -5.989
   60   2HZ   LYS   6          2HZ       LYS   6   7.225   3.642  -6.602
   61   3HZ   LYS   6          3HZ       LYS   6   5.574   3.289  -6.520
   62    H    THR   7           H        THR   7   6.568   1.358   0.367
   63    HA   THR   7           HA       THR   7   7.734   2.861   2.644
   64    HB   THR   7           HB       THR   7   8.903   0.623   3.207
   65    HG1  THR   7           HG1      THR   7   8.423  -0.898   1.832
   66   1HG2  THR   7          1HG2      THR   7   6.010   1.196   3.752
   67   2HG2  THR   7          2HG2      THR   7   6.780  -0.254   4.400
   68   3HG2  THR   7          3HG2      THR   7   7.399   1.342   4.829
   69    H    LEU   8           H        LEU   8   9.961   3.203   2.740
   70    HA   LEU   8           HA       LEU   8  11.423   3.618   0.323
   71   1HB   LEU   8          1HB       LEU   8  11.902   4.033   3.230
   72   2HB   LEU   8          2HB       LEU   8  13.323   3.979   2.208
   73    HG   LEU   8           HG       LEU   8  11.472   5.741   0.910
   74   1HD1  LEU   8          1HD1      LEU   8  11.720   6.348   3.851
   75   2HD1  LEU   8          2HD1      LEU   8  11.206   7.511   2.627
   76   3HD1  LEU   8          3HD1      LEU   8  10.240   6.067   2.933
   77   1HD2  LEU   8          1HD2      LEU   8  13.903   5.914   0.775
   78   2HD2  LEU   8          2HD2      LEU   8  13.178   7.440   1.281
   79   3HD2  LEU   8          3HD2      LEU   8  13.970   6.403   2.468
   80    H    ASP   9           H        ASP   9  11.232   0.778   2.307
   81    HA   ASP   9           HA       ASP   9  13.789  -0.459   1.846
   82   1HB   ASP   9          1HB       ASP   9  11.767  -0.927   3.623
   83   2HB   ASP   9          2HB       ASP   9  11.536  -2.258   2.497
   84    H    GLY  10           H        GLY  10  10.599  -0.730   0.213
   85   1HA   GLY  10          2HA       GLY  10  11.759  -2.419  -1.944
   86   2HA   GLY  10          1HA       GLY  10  10.688  -1.066  -2.264
   87    H    LYS  11           H        LYS  11   8.565  -1.272  -0.724
   88    HA   LYS  11           HA       LYS  11   7.244  -3.818  -1.424
   89   1HB   LYS  11          1HB       LYS  11   7.412  -2.571   1.298
   90   2HB   LYS  11          2HB       LYS  11   5.919  -3.374   0.843
   91   1HG   LYS  11          1HG       LYS  11   7.131  -5.450   0.476
   92   2HG   LYS  11          2HG       LYS  11   8.650  -4.641   0.882
   93   1HD   LYS  11          1HD       LYS  11   7.604  -4.057   3.110
   94   2HD   LYS  11          2HD       LYS  11   6.289  -5.151   2.688
   95   1HE   LYS  11          1HE       LYS  11   9.098  -6.162   2.553
   96   2HE   LYS  11          2HE       LYS  11   8.344  -5.941   4.129
   97   1HZ   LYS  11          1HZ       LYS  11   6.530  -7.383   3.421
   98   2HZ   LYS  11          2HZ       LYS  11   7.276  -7.616   1.921
   99   3HZ   LYS  11          3HZ       LYS  11   8.017  -8.185   3.330
  100    H    THR  12           H        THR  12   5.091  -3.723  -2.018
  101    HA   THR  12           HA       THR  12   3.550  -1.240  -1.900
  102    HB   THR  12           HB       THR  12   2.761  -1.654  -4.349
  103    HG1  THR  12           HG1      THR  12   5.301  -2.946  -4.432
  104   1HG2  THR  12          1HG2      THR  12   4.158   0.290  -3.497
  105   2HG2  THR  12          2HG2      THR  12   5.564  -0.578  -4.114
  106   3HG2  THR  12          3HG2      THR  12   4.287  -0.071  -5.219
  107    H    ILE  13           H        ILE  13   1.716  -1.664  -0.959
  108    HA   ILE  13           HA       ILE  13  -0.016  -3.910  -1.604
  109    HB   ILE  13           HB       ILE  13  -0.446  -4.477   0.881
  110   1HG1  ILE  13          1HG1      ILE  13   2.367  -4.199   1.750
  111   2HG1  ILE  13          2HG1      ILE  13   1.646  -2.627   1.451
  112   1HG2  ILE  13          1HG2      ILE  13   2.050  -5.453  -0.495
  113   2HG2  ILE  13          2HG2      ILE  13   1.275  -6.256   0.872
  114   3HG2  ILE  13          3HG2      ILE  13   0.412  -6.087  -0.658
  115   1HD1  ILE  13          1HD1      ILE  13   0.405  -4.694   3.250
  116   2HD1  ILE  13          2HD1      ILE  13   1.515  -3.443   3.812
  117   3HD1  ILE  13          3HD1      ILE  13  -0.035  -2.992   3.095
  118    H    THR  14           H        THR  14  -2.170  -3.573  -1.339
  119    HA   THR  14           HA       THR  14  -3.057  -1.016  -0.184
  120    HB   THR  14           HB       THR  14  -3.273  -0.787  -2.586
  121    HG1  THR  14           HG1      THR  14  -5.323  -0.023  -2.625
  122   1HG2  THR  14          1HG2      THR  14  -4.928  -3.317  -2.615
  123   2HG2  THR  14          2HG2      THR  14  -5.106  -2.075  -3.859
  124   3HG2  THR  14          3HG2      THR  14  -3.554  -2.882  -3.632
  125    H    LEU  15           H        LEU  15  -5.002  -0.815   0.892
  126    HA   LEU  15           HA       LEU  15  -6.226  -3.258   2.005
  127   1HB   LEU  15          1HB       LEU  15  -4.782  -1.409   3.386
  128   2HB   LEU  15          2HB       LEU  15  -6.392  -0.737   3.558
  129    HG   LEU  15           HG       LEU  15  -6.523  -3.568   4.173
  130   1HD1  LEU  15          1HD1      LEU  15  -4.101  -3.331   4.662
  131   2HD1  LEU  15          2HD1      LEU  15  -4.508  -2.125   5.882
  132   3HD1  LEU  15          3HD1      LEU  15  -5.076  -3.784   6.059
  133   1HD2  LEU  15          1HD2      LEU  15  -8.076  -1.831   4.994
  134   2HD2  LEU  15          2HD2      LEU  15  -7.418  -2.831   6.289
  135   3HD2  LEU  15          3HD2      LEU  15  -6.793  -1.202   6.028
  136    H    GLU  16           H        GLU  16  -8.382  -3.522   1.940
  137    HA   GLU  16           HA       GLU  16 -10.179  -1.357   1.032
  138   1HB   GLU  16          1HB       GLU  16  -9.769  -4.077  -0.145
  139   2HB   GLU  16          2HB       GLU  16 -11.402  -3.429  -0.137
  140   1HG   GLU  16          1HG       GLU  16 -10.360  -1.346  -1.242
  141   2HG   GLU  16          2HG       GLU  16  -8.970  -2.380  -1.556
  142    H    VAL  17           H        VAL  17 -12.240  -1.261   1.837
  143    HA   VAL  17           HA       VAL  17 -12.888  -2.901   4.194
  144    HB   VAL  17           HB       VAL  17 -14.687  -1.113   4.706
  145   1HG1  VAL  17          1HG1      VAL  17 -12.548  -1.489   5.922
  146   2HG1  VAL  17          2HG1      VAL  17 -11.848  -0.179   4.971
  147   3HG1  VAL  17          3HG1      VAL  17 -13.206   0.142   6.047
  148   1HG2  VAL  17          1HG2      VAL  17 -14.491   0.164   2.491
  149   2HG2  VAL  17          2HG2      VAL  17 -14.477   1.142   3.959
  150   3HG2  VAL  17          3HG2      VAL  17 -12.969   0.806   3.106

  No H/Q in entry =         150
  Start of MODEL   23
    1    H1   MET   1           H1       MET   1 -14.124   0.424  -2.191
    2    H2   MET   1           H2       MET   1 -14.064   0.164  -0.521
    3    H3   MET   1           H3       MET   1 -15.112   1.330  -1.158
    4    HA   MET   1           HA       MET   1 -13.287   2.675  -1.887
    5   1HB   MET   1          1HB       MET   1 -14.169   2.320   0.692
    6   2HB   MET   1          2HB       MET   1 -12.432   2.139   0.900
    7   1HG   MET   1          1HG       MET   1 -12.007   4.331   0.388
    8   2HG   MET   1          2HG       MET   1 -13.440   4.492  -0.627
    9   1HE   MET   1          1HE       MET   1 -15.866   4.569   0.309
   10   2HE   MET   1          2HE       MET   1 -16.164   5.712   1.621
   11   3HE   MET   1          3HE       MET   1 -15.236   6.214   0.208
   12    H    GLN   2           H        GLN   2 -11.146   3.065  -2.312
   13    HA   GLN   2           HA       GLN   2  -9.113   1.000  -1.810
   14   1HB   GLN   2          1HB       GLN   2  -9.906   2.153  -4.461
   15   2HB   GLN   2          2HB       GLN   2  -8.199   1.839  -4.181
   16   1HG   GLN   2          1HG       GLN   2  -8.506  -0.452  -4.020
   17   2HG   GLN   2          2HG       GLN   2 -10.227  -0.299  -3.667
   18   2HE2  GLN   2          2HE2      GLN   2  -7.787  -0.377  -6.195
   19   1HE2  GLN   2          1HE2      GLN   2  -8.895  -0.500  -7.514
   20    H    ILE   3           H        ILE   3  -7.298   1.680  -0.954
   21    HA   ILE   3           HA       ILE   3  -6.198   4.343  -1.264
   22    HB   ILE   3           HB       ILE   3  -5.781   4.559   1.313
   23   1HG1  ILE   3          1HG1      ILE   3  -8.436   3.695   2.156
   24   2HG1  ILE   3          2HG1      ILE   3  -7.608   2.319   1.447
   25   1HG2  ILE   3          1HG2      ILE   3  -8.432   5.254   0.067
   26   2HG2  ILE   3          2HG2      ILE   3  -7.810   5.959   1.558
   27   3HG2  ILE   3          3HG2      ILE   3  -6.948   6.206   0.038
   28   1HD1  ILE   3          1HD1      ILE   3  -6.198   3.956   3.495
   29   2HD1  ILE   3          2HD1      ILE   3  -7.449   2.816   3.992
   30   3HD1  ILE   3          3HD1      ILE   3  -6.034   2.243   3.107
   31    H    PHE   4           H        PHE   4  -4.172   4.203  -1.701
   32    HA   PHE   4           HA       PHE   4  -2.647   1.745  -1.335
   33   1HB   PHE   4          1HB       PHE   4  -2.562   4.094  -3.132
   34   2HB   PHE   4          2HB       PHE   4  -0.993   3.435  -2.725
   35    HD1  PHE   4           HD1      PHE   4  -4.384   2.581  -4.442
   36    HD2  PHE   4           HD2      PHE   4  -0.070   1.431  -3.822
   37    HE1  PHE   4           HE1      PHE   4  -4.552   0.898  -6.397
   38    HE2  PHE   4           HE2      PHE   4  -0.250  -0.259  -5.777
   39    HZ   PHE   4           HZ       PHE   4  -2.483  -0.521  -7.074
   40    H    VAL   5           H        VAL   5  -0.714   1.448  -0.321
   41    HA   VAL   5           HA       VAL   5   0.536   3.578   1.248
   42    HB   VAL   5           HB       VAL   5  -1.096   2.337   2.731
   43   1HG1  VAL   5          1HG1      VAL   5  -0.767   0.005   1.905
   44   2HG1  VAL   5          2HG1      VAL   5   0.742  -0.044   2.817
   45   3HG1  VAL   5          3HG1      VAL   5  -0.792   0.183   3.658
   46   1HG2  VAL   5          1HG2      VAL   5   0.862   3.587   3.632
   47   2HG2  VAL   5          2HG2      VAL   5   0.206   2.348   4.703
   48   3HG2  VAL   5          3HG2      VAL   5   1.693   2.042   3.808
   49    H    LYS   6           H        LYS   6   2.655   3.741   0.898
   50    HA   LYS   6           HA       LYS   6   4.207   1.508  -0.264
   51   1HB   LYS   6          1HB       LYS   6   3.621   3.886  -1.494
   52   2HB   LYS   6          2HB       LYS   6   5.180   4.257  -0.777
   53   1HG   LYS   6          1HG       LYS   6   6.287   2.620  -2.038
   54   2HG   LYS   6          2HG       LYS   6   4.788   1.790  -2.447
   55   1HD   LYS   6          1HD       LYS   6   4.282   3.225  -4.153
   56   2HD   LYS   6          2HD       LYS   6   5.049   4.612  -3.382
   57   1HE   LYS   6          1HE       LYS   6   6.515   4.272  -5.096
   58   2HE   LYS   6          2HE       LYS   6   7.257   3.220  -3.893
   59   1HZ   LYS   6          1HZ       LYS   6   5.335   2.292  -5.962
   60   2HZ   LYS   6          2HZ       LYS   6   7.016   2.200  -6.121
   61   3HZ   LYS   6          3HZ       LYS   6   6.235   1.326  -4.902
   62    H    THR   7           H        THR   7   6.289   1.093   0.371
   63    HA   THR   7           HA       THR   7   7.348   2.360   2.835
   64    HB   THR   7           HB       THR   7   8.627   0.121   3.106
   65    HG1  THR   7           HG1      THR   7   8.136  -0.866   1.160
   66   1HG2  THR   7          1HG2      THR   7   5.718   0.531   3.676
   67   2HG2  THR   7          2HG2      THR   7   6.483  -1.006   4.080
   68   3HG2  THR   7          3HG2      THR   7   7.085   0.493   4.790
   69    H    LEU   8           H        LEU   8   9.535   2.828   3.045
   70    HA   LEU   8           HA       LEU   8  11.029   3.611   0.730
   71   1HB   LEU   8          1HB       LEU   8  11.001   4.234   3.469
   72   2HB   LEU   8          2HB       LEU   8  12.600   3.586   3.179
   73    HG   LEU   8           HG       LEU   8  12.150   5.437   1.063
   74   1HD1  LEU   8          1HD1      LEU   8  11.275   6.601   3.703
   75   2HD1  LEU   8          2HD1      LEU   8  11.743   7.555   2.294
   76   3HD1  LEU   8          3HD1      LEU   8  10.336   6.494   2.213
   77   1HD2  LEU   8          1HD2      LEU   8  14.313   4.986   2.097
   78   2HD2  LEU   8          2HD2      LEU   8  13.965   6.714   2.074
   79   3HD2  LEU   8          3HD2      LEU   8  13.788   5.800   3.572
   80    H    ASP   9           H        ASP   9  11.039   0.617   2.514
   81    HA   ASP   9           HA       ASP   9  13.694  -0.368   2.019
   82   1HB   ASP   9          1HB       ASP   9  11.750  -1.122   3.738
   83   2HB   ASP   9          2HB       ASP   9  11.529  -2.347   2.496
   84    H    GLY  10           H        GLY  10  10.591  -0.735   0.264
   85   1HA   GLY  10          2HA       GLY  10  11.920  -2.185  -1.966
   86   2HA   GLY  10          1HA       GLY  10  10.763  -0.894  -2.220
   87    H    LYS  11           H        LYS  11   8.660  -1.444  -0.606
   88    HA   LYS  11           HA       LYS  11   7.492  -3.923  -1.687
   89   1HB   LYS  11          1HB       LYS  11   7.936  -3.322   1.163
   90   2HB   LYS  11          2HB       LYS  11   6.267  -3.718   0.806
   91   1HG   LYS  11          1HG       LYS  11   6.762  -5.874   0.885
   92   2HG   LYS  11          2HG       LYS  11   7.806  -5.686  -0.515
   93   1HD   LYS  11          1HD       LYS  11   9.579  -6.218   0.742
   94   2HD   LYS  11          2HD       LYS  11   9.321  -4.784   1.728
   95   1HE   LYS  11          1HE       LYS  11   9.253  -6.393   3.352
   96   2HE   LYS  11          2HE       LYS  11   7.545  -6.362   2.919
   97   1HZ   LYS  11          1HZ       LYS  11   8.058  -8.226   1.354
   98   2HZ   LYS  11          2HZ       LYS  11   9.593  -8.326   2.055
   99   3HZ   LYS  11          3HZ       LYS  11   8.217  -8.614   2.993
  100    H    THR  12           H        THR  12   5.327  -3.876  -2.218
  101    HA   THR  12           HA       THR  12   3.701  -1.469  -1.729
  102    HB   THR  12           HB       THR  12   2.782  -1.732  -4.145
  103    HG1  THR  12           HG1      THR  12   3.758  -3.195  -5.300
  104   1HG2  THR  12          1HG2      THR  12   5.436  -0.476  -3.496
  105   2HG2  THR  12          2HG2      THR  12   4.684  -0.301  -5.082
  106   3HG2  THR  12          3HG2      THR  12   3.857   0.295  -3.643
  107    H    ILE  13           H        ILE  13   1.712  -1.847  -1.060
  108    HA   ILE  13           HA       ILE  13   0.115  -4.176  -1.726
  109    HB   ILE  13           HB       ILE  13  -0.505  -4.639   0.747
  110   1HG1  ILE  13          1HG1      ILE  13   2.202  -4.349   1.847
  111   2HG1  ILE  13          2HG1      ILE  13   1.601  -2.775   1.356
  112   1HG2  ILE  13          1HG2      ILE  13   2.070  -5.641  -0.439
  113   2HG2  ILE  13          2HG2      ILE  13   1.256  -6.379   0.941
  114   3HG2  ILE  13          3HG2      ILE  13   0.451  -6.314  -0.629
  115   1HD1  ILE  13          1HD1      ILE  13   0.074  -4.636   3.157
  116   2HD1  ILE  13          2HD1      ILE  13   1.186  -3.398   3.744
  117   3HD1  ILE  13          3HD1      ILE  13  -0.254  -2.932   2.837
  118    H    THR  14           H        THR  14  -2.065  -3.891  -1.660
  119    HA   THR  14           HA       THR  14  -3.105  -1.185  -1.296
  120    HB   THR  14           HB       THR  14  -5.313  -2.205  -2.113
  121    HG1  THR  14           HG1      THR  14  -3.575  -4.382  -2.742
  122   1HG2  THR  14          1HG2      THR  14  -3.448  -1.016  -3.525
  123   2HG2  THR  14          2HG2      THR  14  -3.318  -2.614  -4.263
  124   3HG2  THR  14          3HG2      THR  14  -4.863  -1.759  -4.275
  125    H    LEU  15           H        LEU  15  -4.695  -0.489   0.069
  126    HA   LEU  15           HA       LEU  15  -5.559  -2.225   2.282
  127   1HB   LEU  15          1HB       LEU  15  -4.055   0.129   2.468
  128   2HB   LEU  15          2HB       LEU  15  -5.681   0.657   2.845
  129    HG   LEU  15           HG       LEU  15  -5.125  -1.760   4.351
  130   1HD1  LEU  15          1HD1      LEU  15  -3.070   0.411   4.729
  131   2HD1  LEU  15          2HD1      LEU  15  -3.337  -0.951   5.819
  132   3HD1  LEU  15          3HD1      LEU  15  -2.774  -1.236   4.172
  133   1HD2  LEU  15          1HD2      LEU  15  -6.785  -0.025   4.945
  134   2HD2  LEU  15          2HD2      LEU  15  -5.692  -0.418   6.271
  135   3HD2  LEU  15          3HD2      LEU  15  -5.461   1.068   5.348
  136    H    GLU  16           H        GLU  16  -7.511  -2.908   1.866
  137    HA   GLU  16           HA       GLU  16  -9.614  -1.122   0.811
  138   1HB   GLU  16          1HB       GLU  16  -8.735  -3.828  -0.078
  139   2HB   GLU  16          2HB       GLU  16 -10.462  -3.505  -0.112
  140   1HG   GLU  16          1HG       GLU  16  -9.703  -1.335  -1.400
  141   2HG   GLU  16          2HG       GLU  16  -8.263  -2.294  -1.728
  142    H    VAL  17           H        VAL  17 -11.695  -1.274   1.588
  143    HA   VAL  17           HA       VAL  17 -12.450  -3.221   3.635
  144    HB   VAL  17           HB       VAL  17 -13.535  -1.373   5.088
  145   1HG1  VAL  17          1HG1      VAL  17 -11.666  -2.833   5.749
  146   2HG1  VAL  17          2HG1      VAL  17 -10.542  -1.584   5.213
  147   3HG1  VAL  17          3HG1      VAL  17 -11.654  -1.258   6.543
  148   1HG2  VAL  17          1HG2      VAL  17 -13.092   0.639   3.686
  149   2HG2  VAL  17          2HG2      VAL  17 -12.414   0.791   5.309
  150   3HG2  VAL  17          3HG2      VAL  17 -11.361   0.420   3.944

  No H/Q in entry =         150
  Start of MODEL   24
    1    H1   MET   1           H1       MET   1 -13.630   0.543  -2.478
    2    H2   MET   1           H2       MET   1 -13.989   0.613  -0.827
    3    H3   MET   1           H3       MET   1 -14.788   1.638  -1.912
    4    HA   MET   1           HA       MET   1 -12.885   2.888  -2.351
    5   1HB   MET   1          1HB       MET   1 -12.099   3.644  -0.010
    6   2HB   MET   1          2HB       MET   1 -13.799   3.802  -0.378
    7   1HG   MET   1          1HG       MET   1 -13.908   1.480   0.957
    8   2HG   MET   1          2HG       MET   1 -12.418   2.111   1.656
    9   1HE   MET   1          1HE       MET   1 -12.145   4.250   2.790
   10   2HE   MET   1          2HE       MET   1 -13.374   4.953   3.842
   11   3HE   MET   1          3HE       MET   1 -12.805   3.306   4.126
   12    H    GLN   2           H        GLN   2 -10.771   3.179  -2.720
   13    HA   GLN   2           HA       GLN   2  -8.834   1.118  -1.886
   14   1HB   GLN   2          1HB       GLN   2  -9.298   2.296  -4.604
   15   2HB   GLN   2          2HB       GLN   2  -7.644   1.915  -4.139
   16   1HG   GLN   2          1HG       GLN   2  -8.116  -0.379  -3.923
   17   2HG   GLN   2          2HG       GLN   2  -9.857  -0.108  -3.949
   18   2HE2  GLN   2          2HE2      GLN   2  -6.945  -0.391  -5.898
   19   1HE2  GLN   2          1HE2      GLN   2  -7.754  -0.476  -7.422
   20    H    ILE   3           H        ILE   3  -7.073   1.739  -0.883
   21    HA   ILE   3           HA       ILE   3  -5.974   4.428  -1.023
   22    HB   ILE   3           HB       ILE   3  -5.676   4.476   1.575
   23   1HG1  ILE   3          1HG1      ILE   3  -8.349   3.473   2.213
   24   2HG1  ILE   3          2HG1      ILE   3  -7.416   2.175   1.489
   25   1HG2  ILE   3          1HG2      ILE   3  -6.848   6.163   0.329
   26   2HG2  ILE   3          2HG2      ILE   3  -8.311   5.177   0.291
   27   3HG2  ILE   3          3HG2      ILE   3  -7.723   5.826   1.822
   28   1HD1  ILE   3          1HD1      ILE   3  -6.096   3.707   3.640
   29   2HD1  ILE   3          2HD1      ILE   3  -7.453   2.676   4.096
   30   3HD1  ILE   3          3HD1      ILE   3  -6.054   1.982   3.275
   31    H    PHE   4           H        PHE   4  -3.920   4.399  -1.337
   32    HA   PHE   4           HA       PHE   4  -2.327   1.979  -0.865
   33   1HB   PHE   4          1HB       PHE   4  -2.487   3.994  -2.998
   34   2HB   PHE   4          2HB       PHE   4  -0.837   3.654  -2.520
   35    HD1  PHE   4           HD1      PHE   4  -3.998   2.192  -4.170
   36    HD2  PHE   4           HD2      PHE   4   0.326   1.468  -3.100
   37    HE1  PHE   4           HE1      PHE   4  -3.933   0.176  -5.781
   38    HE2  PHE   4           HE2      PHE   4   0.373  -0.560  -4.706
   39    HZ   PHE   4           HZ       PHE   4  -1.750  -1.204  -6.056
   40    H    VAL   5           H        VAL   5  -0.355   1.921   0.099
   41    HA   VAL   5           HA       VAL   5   0.940   4.276   1.219
   42    HB   VAL   5           HB       VAL   5   1.365   3.065   3.478
   43   1HG1  VAL   5          1HG1      VAL   5   0.130   5.115   3.314
   44   2HG1  VAL   5          2HG1      VAL   5  -1.346   4.237   2.917
   45   3HG1  VAL   5          3HG1      VAL   5  -0.616   4.058   4.513
   46   1HG2  VAL   5          1HG2      VAL   5   0.241   0.857   2.898
   47   2HG2  VAL   5          2HG2      VAL   5  -0.263   1.578   4.426
   48   3HG2  VAL   5          3HG2      VAL   5  -1.306   1.700   3.009
   49    H    LYS   6           H        LYS   6   3.053   4.277   0.904
   50    HA   LYS   6           HA       LYS   6   4.450   1.781   0.147
   51   1HB   LYS   6          1HB       LYS   6   4.605   4.566  -0.950
   52   2HB   LYS   6          2HB       LYS   6   6.036   3.549  -1.025
   53   1HG   LYS   6          1HG       LYS   6   4.442   1.809  -2.116
   54   2HG   LYS   6          2HG       LYS   6   3.387   3.196  -2.386
   55   1HD   LYS   6          1HD       LYS   6   5.454   4.298  -3.459
   56   2HD   LYS   6          2HD       LYS   6   6.136   2.672  -3.485
   57   1HE   LYS   6          1HE       LYS   6   4.055   1.944  -4.708
   58   2HE   LYS   6          2HE       LYS   6   3.645   3.653  -4.862
   59   1HZ   LYS   6          1HZ       LYS   6   5.825   3.958  -5.978
   60   2HZ   LYS   6          2HZ       LYS   6   6.031   2.278  -5.968
   61   3HZ   LYS   6          3HZ       LYS   6   4.754   2.969  -6.836
   62    H    THR   7           H        THR   7   6.437   1.254   0.885
   63    HA   THR   7           HA       THR   7   7.440   2.468   3.365
   64    HB   THR   7           HB       THR   7   8.982   0.383   3.329
   65    HG1  THR   7           HG1      THR   7   8.647  -0.289   1.216
   66   1HG2  THR   7          1HG2      THR   7   6.959   0.700   4.802
   67   2HG2  THR   7          2HG2      THR   7   6.038  -0.210   3.606
   68   3HG2  THR   7          3HG2      THR   7   7.382  -0.976   4.454
   69    H    LEU   8           H        LEU   8   8.476   1.900   0.010
   70    HA   LEU   8           HA       LEU   8  10.040   2.712  -1.400
   71   1HB   LEU   8          1HB       LEU   8  10.772   4.541   0.888
   72   2HB   LEU   8          2HB       LEU   8  11.826   4.451  -0.505
   73    HG   LEU   8           HG       LEU   8   9.069   4.845  -1.377
   74   1HD1  LEU   8          1HD1      LEU   8   8.727   5.919   0.782
   75   2HD1  LEU   8          2HD1      LEU   8  10.114   6.969   0.488
   76   3HD1  LEU   8          3HD1      LEU   8   8.681   7.093  -0.533
   77   1HD2  LEU   8          1HD2      LEU   8  11.172   5.342  -2.661
   78   2HD2  LEU   8          2HD2      LEU   8   9.962   6.624  -2.676
   79   3HD2  LEU   8          3HD2      LEU   8  11.378   6.763  -1.636
   80    H    ASP   9           H        ASP   9  10.781   0.846   1.303
   81    HA   ASP   9           HA       ASP   9  13.593   0.295   0.991
   82   1HB   ASP   9          1HB       ASP   9  11.846  -0.115   3.029
   83   2HB   ASP   9          2HB       ASP   9  11.919  -1.739   2.356
   84    H    GLY  10           H        GLY  10  10.601  -1.287  -0.206
   85   1HA   GLY  10          2HA       GLY  10  12.068  -3.440  -1.596
   86   2HA   GLY  10          1HA       GLY  10  11.144  -2.310  -2.561
   87    H    LYS  11           H        LYS  11   8.864  -2.050  -0.749
   88    HA   LYS  11           HA       LYS  11   7.320  -4.390  -1.491
   89   1HB   LYS  11          1HB       LYS  11   6.254  -4.678   0.833
   90   2HB   LYS  11          2HB       LYS  11   7.844  -5.362   0.600
   91   1HG   LYS  11          1HG       LYS  11   8.680  -3.183   1.790
   92   2HG   LYS  11          2HG       LYS  11   7.005  -3.035   2.318
   93   1HD   LYS  11          1HD       LYS  11   7.270  -5.463   3.136
   94   2HD   LYS  11          2HD       LYS  11   9.001  -5.191   2.943
   95   1HE   LYS  11          1HE       LYS  11   8.999  -3.448   4.551
   96   2HE   LYS  11          2HE       LYS  11   7.237  -3.379   4.573
   97   1HZ   LYS  11          1HZ       LYS  11   8.855  -5.689   5.505
   98   2HZ   LYS  11          2HZ       LYS  11   8.165  -4.521   6.516
   99   3HZ   LYS  11          3HZ       LYS  11   7.173  -5.541   5.600
  100    H    THR  12           H        THR  12   5.189  -4.037  -1.905
  101    HA   THR  12           HA       THR  12   3.918  -1.456  -1.234
  102    HB   THR  12           HB       THR  12   2.832  -1.500  -3.582
  103    HG1  THR  12           HG1      THR  12   3.534  -2.935  -4.949
  104   1HG2  THR  12          1HG2      THR  12   5.666  -0.676  -3.049
  105   2HG2  THR  12          2HG2      THR  12   4.935  -0.418  -4.634
  106   3HG2  THR  12          3HG2      THR  12   4.224   0.326  -3.203
  107    H    ILE  13           H        ILE  13   1.862  -1.563  -0.539
  108    HA   ILE  13           HA       ILE  13   0.041  -3.760  -1.132
  109    HB   ILE  13           HB       ILE  13  -0.612  -4.103   1.327
  110   1HG1  ILE  13          1HG1      ILE  13   2.080  -3.854   2.485
  111   2HG1  ILE  13          2HG1      ILE  13   1.521  -2.284   1.930
  112   1HG2  ILE  13          1HG2      ILE  13   1.971  -5.262   0.304
  113   2HG2  ILE  13          2HG2      ILE  13   1.027  -5.919   1.641
  114   3HG2  ILE  13          3HG2      ILE  13   0.335  -5.858   0.018
  115   1HD1  ILE  13          1HD1      ILE  13  -0.044  -4.063   3.783
  116   2HD1  ILE  13          2HD1      ILE  13   1.029  -2.768   4.316
  117   3HD1  ILE  13          3HD1      ILE  13  -0.401  -2.390   3.352
  118    H    THR  14           H        THR  14  -2.125  -3.353  -0.978
  119    HA   THR  14           HA       THR  14  -3.018  -0.688  -0.097
  120    HB   THR  14           HB       THR  14  -3.134  -0.535  -2.494
  121    HG1  THR  14           HG1      THR  14  -4.840   0.539  -1.842
  122   1HG2  THR  14          1HG2      THR  14  -3.336  -3.025  -3.056
  123   2HG2  THR  14          2HG2      THR  14  -5.070  -2.836  -2.791
  124   3HG2  THR  14          3HG2      THR  14  -4.262  -1.901  -4.053
  125    H    LEU  15           H        LEU  15  -4.964  -0.421   0.924
  126    HA   LEU  15           HA       LEU  15  -6.181  -2.813   2.139
  127   1HB   LEU  15          1HB       LEU  15  -5.003  -0.702   3.386
  128   2HB   LEU  15          2HB       LEU  15  -6.668  -0.159   3.365
  129    HG   LEU  15           HG       LEU  15  -6.634  -2.900   4.293
  130   1HD1  LEU  15          1HD1      LEU  15  -4.316  -2.541   4.938
  131   2HD1  LEU  15          2HD1      LEU  15  -4.783  -1.106   5.852
  132   3HD1  LEU  15          3HD1      LEU  15  -5.357  -2.696   6.354
  133   1HD2  LEU  15          1HD2      LEU  15  -7.244  -0.340   5.769
  134   2HD2  LEU  15          2HD2      LEU  15  -8.388  -1.300   4.832
  135   3HD2  LEU  15          3HD2      LEU  15  -7.673  -1.967   6.300
  136    H    GLU  16           H        GLU  16  -8.212  -3.360   1.775
  137    HA   GLU  16           HA       GLU  16 -10.215  -1.493   0.671
  138   1HB   GLU  16          1HB       GLU  16  -9.212  -4.032  -0.564
  139   2HB   GLU  16          2HB       GLU  16 -10.924  -3.669  -0.721
  140   1HG   GLU  16          1HG       GLU  16 -10.079  -1.351  -1.571
  141   2HG   GLU  16          2HG       GLU  16  -8.564  -2.208  -1.849
  142    H    VAL  17           H        VAL  17 -12.367  -1.848   1.195
  143    HA   VAL  17           HA       VAL  17 -12.935  -3.493   3.535
  144    HB   VAL  17           HB       VAL  17 -15.282  -2.415   3.479
  145   1HG1  VAL  17          1HG1      VAL  17 -13.542  -1.852   5.083
  146   2HG1  VAL  17          2HG1      VAL  17 -12.929  -0.613   3.987
  147   3HG1  VAL  17          3HG1      VAL  17 -14.543  -0.458   4.680
  148   1HG2  VAL  17          1HG2      VAL  17 -15.349  -1.412   1.228
  149   2HG2  VAL  17          2HG2      VAL  17 -15.517  -0.168   2.470
  150   3HG2  VAL  17          3HG2      VAL  17 -13.980  -0.378   1.634

  No H/Q in entry =         150
  Start of MODEL   25
    1    H1   MET   1           H1       MET   1 -14.025  -0.038  -1.171
    2    H2   MET   1           H2       MET   1 -13.718  -0.144   0.489
    3    H3   MET   1           H3       MET   1 -14.938   0.879  -0.080
    4    HA   MET   1           HA       MET   1 -13.339   2.273  -1.182
    5   1HB   MET   1          1HB       MET   1 -13.857   2.101   1.527
    6   2HB   MET   1          2HB       MET   1 -12.101   2.123   1.496
    7   1HG   MET   1          2HG       MET   1 -12.463   4.349   1.635
    8   2HG   MET   1          1HG       MET   1 -12.545   4.197  -0.118
    9   1HE   MET   1          1HE       MET   1 -14.462   4.374   3.192
   10   2HE   MET   1          2HE       MET   1 -14.232   6.046   2.674
   11   3HE   MET   1          3HE       MET   1 -15.858   5.368   2.768
   12    H    GLN   2           H        GLN   2 -11.293   2.785  -1.887
   13    HA   GLN   2           HA       GLN   2  -9.062   0.914  -1.474
   14   1HB   GLN   2          1HB       GLN   2 -10.420   0.975  -3.846
   15   2HB   GLN   2          2HB       GLN   2  -9.194   2.189  -4.156
   16   1HG   GLN   2          1HG       GLN   2  -7.477   0.467  -3.497
   17   2HG   GLN   2          2HG       GLN   2  -8.780  -0.716  -3.490
   18   2HE2  GLN   2          2HE2      GLN   2  -6.732   1.319  -5.499
   19   1HE2  GLN   2          1HE2      GLN   2  -7.171   0.589  -7.002
   20    H    ILE   3           H        ILE   3  -7.229   1.787  -0.851
   21    HA   ILE   3           HA       ILE   3  -6.363   4.480  -1.464
   22    HB   ILE   3           HB       ILE   3  -5.719   4.962   1.015
   23   1HG1  ILE   3          1HG1      ILE   3  -8.182   3.924   2.210
   24   2HG1  ILE   3          2HG1      ILE   3  -7.254   2.583   1.560
   25   1HG2  ILE   3          1HG2      ILE   3  -8.489   5.319  -0.091
   26   2HG2  ILE   3          2HG2      ILE   3  -7.946   6.108   1.390
   27   3HG2  ILE   3          3HG2      ILE   3  -7.126   6.439  -0.136
   28   1HD1  ILE   3          1HD1      ILE   3  -5.793   4.543   3.228
   29   2HD1  ILE   3          2HD1      ILE   3  -6.953   3.484   4.032
   30   3HD1  ILE   3          3HD1      ILE   3  -5.618   2.791   3.110
   31    H    PHE   4           H        PHE   4  -4.367   4.477  -2.052
   32    HA   PHE   4           HA       PHE   4  -2.653   2.148  -1.727
   33   1HB   PHE   4          1HB       PHE   4  -2.843   4.449  -3.581
   34   2HB   PHE   4          2HB       PHE   4  -1.215   3.884  -3.283
   35    HD1  PHE   4           HD1      PHE   4  -4.677   2.812  -4.712
   36    HD2  PHE   4           HD2      PHE   4  -0.275   1.888  -4.393
   37    HE1  PHE   4           HE1      PHE   4  -4.905   1.066  -6.603
   38    HE2  PHE   4           HE2      PHE   4  -0.517   0.136  -6.284
   39    HZ   PHE   4           HZ       PHE   4  -2.825  -0.271  -7.399
   40    H    VAL   5           H        VAL   5  -0.669   1.983  -0.818
   41    HA   VAL   5           HA       VAL   5   0.730   4.203   0.433
   42    HB   VAL   5           HB       VAL   5   1.114   2.865   2.631
   43   1HG1  VAL   5          1HG1      VAL   5  -0.051   5.005   2.472
   44   2HG1  VAL   5          2HG1      VAL   5  -1.575   4.151   2.232
   45   3HG1  VAL   5          3HG1      VAL   5  -0.698   3.979   3.752
   46   1HG2  VAL   5          1HG2      VAL   5  -0.076   0.742   2.077
   47   2HG2  VAL   5          2HG2      VAL   5  -0.705   1.505   3.535
   48   3HG2  VAL   5          3HG2      VAL   5  -1.597   1.629   2.017
   49    H    LYS   6           H        LYS   6   2.884   4.078   0.346
   50    HA   LYS   6           HA       LYS   6   4.169   1.598  -0.616
   51   1HB   LYS   6          1HB       LYS   6   4.050   4.042  -1.883
   52   2HB   LYS   6          2HB       LYS   6   5.613   4.128  -1.088
   53   1HG   LYS   6          1HG       LYS   6   6.452   2.289  -2.287
   54   2HG   LYS   6          2HG       LYS   6   4.846   1.768  -2.782
   55   1HD   LYS   6          1HD       LYS   6   5.029   2.916  -4.687
   56   2HD   LYS   6          2HD       LYS   6   5.217   4.424  -3.799
   57   1HE   LYS   6          1HE       LYS   6   7.640   4.048  -3.681
   58   2HE   LYS   6          2HE       LYS   6   7.450   2.527  -4.552
   59   1HZ   LYS   6          1HZ       LYS   6   6.485   3.851  -6.407
   60   2HZ   LYS   6          2HZ       LYS   6   6.921   5.260  -5.578
   61   3HZ   LYS   6          3HZ       LYS   6   8.116   4.180  -6.100
   62    H    THR   7           H        THR   7   6.110   0.885   0.173
   63    HA   THR   7           HA       THR   7   7.034   1.877   2.786
   64    HB   THR   7           HB       THR   7   8.200  -0.682   1.966
   65    HG1  THR   7           HG1      THR   7   5.372  -0.580   2.276
   66   1HG2  THR   7          1HG2      THR   7   8.199   0.292   4.289
   67   2HG2  THR   7          2HG2      THR   7   6.490  -0.135   4.381
   68   3HG2  THR   7          3HG2      THR   7   7.705  -1.398   4.178
   69    H    LEU   8           H        LEU   8   9.166   2.315   3.279
   70    HA   LEU   8           HA       LEU   8  10.884   3.403   1.256
   71   1HB   LEU   8          1HB       LEU   8  10.711   3.399   4.165
   72   2HB   LEU   8          2HB       LEU   8  12.372   3.287   3.629
   73    HG   LEU   8           HG       LEU   8  11.175   5.369   2.071
   74   1HD1  LEU   8          1HD1      LEU   8   9.404   5.470   3.797
   75   2HD1  LEU   8          2HD1      LEU   8  10.642   5.824   5.002
   76   3HD1  LEU   8          3HD1      LEU   8  10.355   6.951   3.676
   77   1HD2  LEU   8          1HD2      LEU   8  13.533   5.246   2.758
   78   2HD2  LEU   8          2HD2      LEU   8  12.804   6.809   3.129
   79   3HD2  LEU   8          3HD2      LEU   8  13.057   5.628   4.413
   80    H    ASP   9           H        ASP   9  10.863   0.263   2.863
   81    HA   ASP   9           HA       ASP   9  13.571  -0.587   2.397
   82   1HB   ASP   9          1HB       ASP   9  11.523  -1.509   3.977
   83   2HB   ASP   9          2HB       ASP   9  11.579  -2.734   2.716
   84    H    GLY  10           H        GLY  10  10.531  -1.005   0.555
   85   1HA   GLY  10          2HA       GLY  10  11.936  -2.388  -1.670
   86   2HA   GLY  10          1HA       GLY  10  10.835  -1.052  -1.947
   87    H    LYS  11           H        LYS  11   8.642  -1.531  -0.480
   88    HA   LYS  11           HA       LYS  11   7.454  -4.000  -1.578
   89   1HB   LYS  11          1HB       LYS  11   7.529  -3.154   1.295
   90   2HB   LYS  11          2HB       LYS  11   6.054  -3.903   0.707
   91   1HG   LYS  11          1HG       LYS  11   7.256  -5.898   0.090
   92   2HG   LYS  11          2HG       LYS  11   8.793  -5.142   0.517
   93   1HD   LYS  11          1HD       LYS  11   7.870  -4.872   2.854
   94   2HD   LYS  11          2HD       LYS  11   6.534  -5.910   2.356
   95   1HE   LYS  11          1HE       LYS  11   8.315  -7.597   1.665
   96   2HE   LYS  11          2HE       LYS  11   9.455  -6.589   2.559
   97   1HZ   LYS  11          1HZ       LYS  11   8.049  -6.880   4.534
   98   2HZ   LYS  11          2HZ       LYS  11   7.043  -7.923   3.663
   99   3HZ   LYS  11          3HZ       LYS  11   8.653  -8.350   3.958
  100    H    THR  12           H        THR  12   5.293  -3.915  -2.198
  101    HA   THR  12           HA       THR  12   3.745  -1.428  -1.909
  102    HB   THR  12           HB       THR  12   2.913  -1.798  -4.349
  103    HG1  THR  12           HG1      THR  12   5.439  -3.112  -4.493
  104   1HG2  THR  12          1HG2      THR  12   5.641  -0.642  -3.771
  105   2HG2  THR  12          2HG2      THR  12   4.773  -0.410  -5.289
  106   3HG2  THR  12          3HG2      THR  12   4.095   0.207  -3.783
  107    H    ILE  13           H        ILE  13   1.740  -1.726  -1.239
  108    HA   ILE  13           HA       ILE  13   0.069  -4.004  -1.865
  109    HB   ILE  13           HB       ILE  13  -0.584  -4.408   0.566
  110   1HG1  ILE  13          1HG1      ILE  13   0.611  -2.730   1.888
  111   2HG1  ILE  13          2HG1      ILE  13   1.093  -4.316   2.409
  112   1HG2  ILE  13          1HG2      ILE  13   0.336  -6.102  -0.821
  113   2HG2  ILE  13          2HG2      ILE  13   1.981  -5.607  -0.421
  114   3HG2  ILE  13          3HG2      ILE  13   0.937  -6.284   0.829
  115   1HD1  ILE  13          1HD1      ILE  13   3.325  -3.932   1.295
  116   2HD1  ILE  13          2HD1      ILE  13   2.799  -2.296   0.898
  117   3HD1  ILE  13          3HD1      ILE  13   2.967  -2.785   2.586
  118    H    THR  14           H        THR  14  -2.101  -3.649  -1.784
  119    HA   THR  14           HA       THR  14  -3.063  -0.909  -1.417
  120    HB   THR  14           HB       THR  14  -5.297  -1.862  -2.264
  121    HG1  THR  14           HG1      THR  14  -5.330  -3.880  -3.093
  122   1HG2  THR  14          1HG2      THR  14  -3.776  -0.564  -3.676
  123   2HG2  THR  14          2HG2      THR  14  -2.980  -2.060  -4.172
  124   3HG2  THR  14          3HG2      THR  14  -4.677  -1.786  -4.573
  125    H    LEU  15           H        LEU  15  -4.635  -0.190  -0.030
  126    HA   LEU  15           HA       LEU  15  -5.410  -1.924   2.220
  127   1HB   LEU  15          1HB       LEU  15  -4.118   0.543   2.288
  128   2HB   LEU  15          2HB       LEU  15  -5.780   0.971   2.623
  129    HG   LEU  15           HG       LEU  15  -5.060  -1.309   4.270
  130   1HD1  LEU  15          1HD1      LEU  15  -3.193   1.040   4.549
  131   2HD1  LEU  15          2HD1      LEU  15  -3.355  -0.287   5.700
  132   3HD1  LEU  15          3HD1      LEU  15  -2.755  -0.601   4.072
  133   1HD2  LEU  15          1HD2      LEU  15  -5.758   1.545   4.960
  134   2HD2  LEU  15          2HD2      LEU  15  -6.860   0.170   4.866
  135   3HD2  LEU  15          3HD2      LEU  15  -5.631   0.230   6.129
  136    H    GLU  16           H        GLU  16  -7.260  -2.840   1.788
  137    HA   GLU  16           HA       GLU  16  -9.567  -1.315   0.755
  138   1HB   GLU  16          1HB       GLU  16  -8.387  -3.897  -0.148
  139   2HB   GLU  16          2HB       GLU  16 -10.142  -3.794  -0.142
  140   1HG   GLU  16          1HG       GLU  16  -9.716  -1.564  -1.453
  141   2HG   GLU  16          2HG       GLU  16  -8.151  -2.296  -1.795
  142    H    VAL  17           H        VAL  17 -11.604  -1.704   1.571
  143    HA   VAL  17           HA       VAL  17 -12.102  -3.725   3.622
  144    HB   VAL  17           HB       VAL  17 -13.350  -2.014   5.110
  145   1HG1  VAL  17          1HG1      VAL  17 -11.329  -3.269   5.733
  146   2HG1  VAL  17          2HG1      VAL  17 -10.348  -1.914   5.174
  147   3HG1  VAL  17          3HG1      VAL  17 -11.458  -1.699   6.528
  148   1HG2  VAL  17          1HG2      VAL  17 -11.484  -0.012   3.787
  149   2HG2  VAL  17          2HG2      VAL  17 -13.243   0.070   3.866
  150   3HG2  VAL  17          3HG2      VAL  17 -12.288   0.250   5.336

  No H/Q in entry =         150
  Start of MODEL   26
    1    H1   MET   1           H1       MET   1 -13.891   0.626  -2.146
    2    H2   MET   1           H2       MET   1 -13.833   0.258  -0.495
    3    H3   MET   1           H3       MET   1 -14.830   1.507  -1.049
    4    HA   MET   1           HA       MET   1 -12.933   2.795  -1.730
    5   1HB   MET   1          1HB       MET   1 -13.862   2.381   0.825
    6   2HB   MET   1          2HB       MET   1 -12.141   2.108   1.042
    7   1HG   MET   1          1HG       MET   1 -11.624   4.285   0.794
    8   2HG   MET   1          2HG       MET   1 -12.853   4.559  -0.444
    9   1HE   MET   1          1HE       MET   1 -11.955   4.170   3.173
   10   2HE   MET   1          2HE       MET   1 -11.983   5.928   3.020
   11   3HE   MET   1          3HE       MET   1 -13.156   5.114   4.057
   12    H    GLN   2           H        GLN   2 -10.773   3.090  -2.124
   13    HA   GLN   2           HA       GLN   2  -8.851   0.911  -1.671
   14   1HB   GLN   2          1HB       GLN   2  -9.533   2.211  -4.284
   15   2HB   GLN   2          2HB       GLN   2  -7.848   1.798  -3.985
   16   1HG   GLN   2          1HG       GLN   2  -8.375  -0.514  -3.746
   17   2HG   GLN   2          2HG       GLN   2 -10.106  -0.182  -3.758
   18   2HE2  GLN   2          2HE2      GLN   2  -7.210  -0.510  -5.724
   19   1HE2  GLN   2          1HE2      GLN   2  -8.026  -0.525  -7.247
   20    H    ILE   3           H        ILE   3  -7.017   1.460  -0.772
   21    HA   ILE   3           HA       ILE   3  -5.842   4.114  -0.915
   22    HB   ILE   3           HB       ILE   3  -5.390   4.098   1.666
   23   1HG1  ILE   3          1HG1      ILE   3  -8.068   3.218   2.440
   24   2HG1  ILE   3          2HG1      ILE   3  -7.248   1.890   1.637
   25   1HG2  ILE   3          1HG2      ILE   3  -6.595   5.822   0.419
   26   2HG2  ILE   3          2HG2      ILE   3  -8.102   4.932   0.645
   27   3HG2  ILE   3          3HG2      ILE   3  -7.253   5.600   2.039
   28   1HD1  ILE   3          1HD1      ILE   3  -5.848   3.359   3.816
   29   2HD1  ILE   3          2HD1      ILE   3  -7.103   2.183   4.208
   30   3HD1  ILE   3          3HD1      ILE   3  -5.679   1.682   3.294
   31    H    PHE   4           H        PHE   4  -3.806   4.026  -1.326
   32    HA   PHE   4           HA       PHE   4  -2.266   1.548  -0.960
   33   1HB   PHE   4          1HB       PHE   4  -2.420   3.642  -3.050
   34   2HB   PHE   4          2HB       PHE   4  -0.796   3.090  -2.699
   35    HD1  PHE   4           HD1      PHE   4  -4.237   2.028  -4.115
   36    HD2  PHE   4           HD2      PHE   4   0.065   0.839  -3.454
   37    HE1  PHE   4           HE1      PHE   4  -4.520   0.065  -5.768
   38    HE2  PHE   4           HE2      PHE   4  -0.229  -1.116  -5.123
   39    HZ   PHE   4           HZ       PHE   4  -2.518  -1.506  -6.282
   40    H    VAL   5           H        VAL   5  -0.234   1.442  -0.102
   41    HA   VAL   5           HA       VAL   5   1.038   3.806   1.094
   42    HB   VAL   5           HB       VAL   5   1.774   2.364   3.125
   43   1HG1  VAL   5          1HG1      VAL   5   0.211   4.312   3.128
   44   2HG1  VAL   5          2HG1      VAL   5  -1.120   3.154   3.131
   45   3HG1  VAL   5          3HG1      VAL   5   0.027   3.183   4.470
   46   1HG2  VAL   5          1HG2      VAL   5   0.783   0.151   2.338
   47   2HG2  VAL   5          2HG2      VAL   5   0.384   0.619   3.993
   48   3HG2  VAL   5          3HG2      VAL   5  -0.805   0.824   2.707
   49    H    LYS   6           H        LYS   6   3.148   4.032   0.777
   50    HA   LYS   6           HA       LYS   6   4.721   1.827  -0.401
   51   1HB   LYS   6          1HB       LYS   6   4.007   4.144  -1.659
   52   2HB   LYS   6          2HB       LYS   6   5.570   4.603  -1.002
   53   1HG   LYS   6          1HG       LYS   6   6.736   3.141  -2.336
   54   2HG   LYS   6          2HG       LYS   6   5.381   2.024  -2.496
   55   1HD   LYS   6          1HD       LYS   6   4.425   3.198  -4.231
   56   2HD   LYS   6          2HD       LYS   6   5.121   4.741  -3.727
   57   1HE   LYS   6          1HE       LYS   6   7.257   4.154  -4.598
   58   2HE   LYS   6          2HE       LYS   6   6.768   2.479  -4.846
   59   1HZ   LYS   6          1HZ       LYS   6   5.540   4.776  -6.266
   60   2HZ   LYS   6          2HZ       LYS   6   6.813   3.858  -6.895
   61   3HZ   LYS   6          3HZ       LYS   6   5.314   3.133  -6.593
   62    H    THR   7           H        THR   7   6.825   1.477   0.156
   63    HA   THR   7           HA       THR   7   8.036   2.915   2.449
   64    HB   THR   7           HB       THR   7   9.171   0.655   2.990
   65    HG1  THR   7           HG1      THR   7   8.596  -0.633   1.313
   66   1HG2  THR   7          1HG2      THR   7   6.323   1.337   3.602
   67   2HG2  THR   7          2HG2      THR   7   6.995  -0.192   4.173
   68   3HG2  THR   7          3HG2      THR   7   7.732   1.334   4.663
   69    H    LEU   8           H        LEU   8  10.271   3.225   2.483
   70    HA   LEU   8           HA       LEU   8  11.667   3.596   0.017
   71   1HB   LEU   8          1HB       LEU   8  12.277   4.013   2.905
   72   2HB   LEU   8          2HB       LEU   8  13.631   3.992   1.793
   73    HG   LEU   8           HG       LEU   8  11.601   5.723   0.679
   74   1HD1  LEU   8          1HD1      LEU   8  10.788   5.914   3.011
   75   2HD1  LEU   8          2HD1      LEU   8  12.368   6.555   3.466
   76   3HD1  LEU   8          3HD1      LEU   8  11.356   7.434   2.320
   77   1HD2  LEU   8          1HD2      LEU   8  14.330   6.308   1.820
   78   2HD2  LEU   8          2HD2      LEU   8  13.929   5.965   0.137
   79   3HD2  LEU   8          3HD2      LEU   8  13.359   7.452   0.893
   80    H    ASP   9           H        ASP   9  11.534   0.806   2.095
   81    HA   ASP   9           HA       ASP   9  14.051  -0.470   1.508
   82   1HB   ASP   9          1HB       ASP   9  11.592  -1.207   3.010
   83   2HB   ASP   9          2HB       ASP   9  12.568  -2.540   2.405
   84    H    GLY  10           H        GLY  10  10.753  -0.749   0.116
   85   1HA   GLY  10          2HA       GLY  10  11.729  -2.535  -2.051
   86   2HA   GLY  10          1HA       GLY  10  10.668  -1.171  -2.349
   87    H    LYS  11           H        LYS  11   8.678  -1.329  -0.537
   88    HA   LYS  11           HA       LYS  11   7.213  -3.793  -1.215
   89   1HB   LYS  11          1HB       LYS  11   7.905  -2.885   1.518
   90   2HB   LYS  11          2HB       LYS  11   6.214  -3.289   1.298
   91   1HG   LYS  11          1HG       LYS  11   6.644  -5.459   1.470
   92   2HG   LYS  11          2HG       LYS  11   7.790  -5.391   0.142
   93   1HD   LYS  11          1HD       LYS  11   9.440  -5.856   1.581
   94   2HD   LYS  11          2HD       LYS  11   9.170  -4.310   2.372
   95   1HE   LYS  11          1HE       LYS  11   8.952  -5.718   4.164
   96   2HE   LYS  11          2HE       LYS  11   7.273  -5.679   3.625
   97   1HZ   LYS  11          1HZ       LYS  11   7.676  -7.745   2.409
   98   2HZ   LYS  11          2HZ       LYS  11   9.270  -7.784   2.974
   99   3HZ   LYS  11          3HZ       LYS  11   7.984  -7.935   4.062
  100    H    THR  12           H        THR  12   5.041  -3.604  -1.594
  101    HA   THR  12           HA       THR  12   3.585  -1.085  -1.177
  102    HB   THR  12           HB       THR  12   2.545  -1.386  -3.543
  103    HG1  THR  12           HG1      THR  12   5.028  -2.730  -3.933
  104   1HG2  THR  12          1HG2      THR  12   5.277  -0.229  -3.050
  105   2HG2  THR  12          2HG2      THR  12   4.468  -0.073  -4.609
  106   3HG2  THR  12          3HG2      THR  12   3.728   0.607  -3.159
  107    H    ILE  13           H        ILE  13   1.568  -1.347  -0.458
  108    HA   ILE  13           HA       ILE  13  -0.068  -3.703  -0.966
  109    HB   ILE  13           HB       ILE  13  -0.693  -3.996   1.514
  110   1HG1  ILE  13          1HG1      ILE  13   2.003  -3.509   2.609
  111   2HG1  ILE  13          2HG1      ILE  13   1.295  -2.008   2.035
  112   1HG2  ILE  13          1HG2      ILE  13   1.950  -5.013   0.489
  113   2HG2  ILE  13          2HG2      ILE  13   1.080  -5.685   1.871
  114   3HG2  ILE  13          3HG2      ILE  13   0.356  -5.733   0.261
  115   1HD1  ILE  13          1HD1      ILE  13  -0.064  -3.870   3.970
  116   2HD1  ILE  13          2HD1      ILE  13   0.910  -2.477   4.444
  117   3HD1  ILE  13          3HD1      ILE  13  -0.571  -2.243   3.516
  118    H    THR  14           H        THR  14  -2.243  -3.448  -0.874
  119    HA   THR  14           HA       THR  14  -3.348  -0.838  -0.075
  120    HB   THR  14           HB       THR  14  -3.366  -0.746  -2.483
  121    HG1  THR  14           HG1      THR  14  -5.984  -1.205  -1.501
  122   1HG2  THR  14          1HG2      THR  14  -3.854  -3.504  -2.620
  123   2HG2  THR  14          2HG2      THR  14  -5.326  -2.753  -3.237
  124   3HG2  THR  14          3HG2      THR  14  -3.766  -2.369  -3.969
  125    H    LEU  15           H        LEU  15  -5.373  -0.684   0.829
  126    HA   LEU  15           HA       LEU  15  -6.567  -3.136   1.957
  127   1HB   LEU  15          1HB       LEU  15  -5.381  -1.127   3.360
  128   2HB   LEU  15          2HB       LEU  15  -7.037  -0.558   3.341
  129    HG   LEU  15           HG       LEU  15  -7.074  -3.350   4.092
  130   1HD1  LEU  15          1HD1      LEU  15  -4.757  -3.089   4.791
  131   2HD1  LEU  15          2HD1      LEU  15  -5.205  -1.708   5.792
  132   3HD1  LEU  15          3HD1      LEU  15  -5.822  -3.315   6.177
  133   1HD2  LEU  15          1HD2      LEU  15  -8.733  -1.564   4.681
  134   2HD2  LEU  15          2HD2      LEU  15  -8.248  -2.605   6.018
  135   3HD2  LEU  15          3HD2      LEU  15  -7.580  -0.979   5.880
  136    H    GLU  16           H        GLU  16  -8.644  -3.582   1.609
  137    HA   GLU  16           HA       GLU  16 -10.475  -1.598   0.405
  138   1HB   GLU  16          1HB       GLU  16  -9.730  -4.332  -0.555
  139   2HB   GLU  16          2HB       GLU  16 -11.391  -3.808  -0.789
  140   1HG   GLU  16          1HG       GLU  16 -10.389  -1.720  -1.892
  141   2HG   GLU  16          2HG       GLU  16  -8.873  -2.618  -1.931
  142    H    VAL  17           H        VAL  17 -12.623  -1.624   0.946
  143    HA   VAL  17           HA       VAL  17 -13.712  -3.605   2.814
  144    HB   VAL  17           HB       VAL  17 -14.896  -1.735   4.155
  145   1HG1  VAL  17          1HG1      VAL  17 -11.960  -2.236   4.552
  146   2HG1  VAL  17          2HG1      VAL  17 -13.053  -1.578   5.770
  147   3HG1  VAL  17          3HG1      VAL  17 -13.302  -3.211   5.150
  148   1HG2  VAL  17          1HG2      VAL  17 -14.243   0.283   2.872
  149   2HG2  VAL  17          2HG2      VAL  17 -13.701   0.380   4.548
  150   3HG2  VAL  17          3HG2      VAL  17 -12.549  -0.013   3.272

  No H/Q in entry =         150
  Start of MODEL   27
    1    H1   MET   1           H1       MET   1 -14.093   0.395  -1.886
    2    H2   MET   1           H2       MET   1 -13.964   0.119  -0.222
    3    H3   MET   1           H3       MET   1 -15.067   1.262  -0.808
    4    HA   MET   1           HA       MET   1 -13.306   2.663  -1.589
    5   1HB   MET   1          1HB       MET   1 -14.081   2.254   1.019
    6   2HB   MET   1          2HB       MET   1 -12.334   2.138   1.158
    7   1HG   MET   1          1HG       MET   1 -12.003   4.341   0.661
    8   2HG   MET   1          2HG       MET   1 -13.469   4.463  -0.313
    9   1HE   MET   1          1HE       MET   1 -11.847   4.279   3.060
   10   2HE   MET   1          2HE       MET   1 -12.076   6.019   2.884
   11   3HE   MET   1          3HE       MET   1 -12.937   5.139   4.149
   12    H    GLN   2           H        GLN   2 -11.187   3.119  -2.076
   13    HA   GLN   2           HA       GLN   2  -9.094   1.091  -1.676
   14   1HB   GLN   2          1HB       GLN   2 -10.011   2.279  -4.265
   15   2HB   GLN   2          2HB       GLN   2  -8.281   2.051  -4.053
   16   1HG   GLN   2          1HG       GLN   2  -8.468  -0.263  -3.920
   17   2HG   GLN   2          2HG       GLN   2 -10.192  -0.198  -3.553
   18   2HE2  GLN   2          2HE2      GLN   2  -7.768  -0.102  -6.095
   19   1HE2  GLN   2          1HE2      GLN   2  -8.879  -0.245  -7.412
   20    H    ILE   3           H        ILE   3  -7.269   1.785  -0.852
   21    HA   ILE   3           HA       ILE   3  -6.223   4.466  -1.136
   22    HB   ILE   3           HB       ILE   3  -5.750   4.686   1.421
   23   1HG1  ILE   3          1HG1      ILE   3  -8.375   3.668   2.277
   24   2HG1  ILE   3          2HG1      ILE   3  -7.402   2.355   1.638
   25   1HG2  ILE   3          1HG2      ILE   3  -7.170   6.143  -0.048
   26   2HG2  ILE   3          2HG2      ILE   3  -8.576   5.261   0.551
   27   3HG2  ILE   3          3HG2      ILE   3  -7.571   6.183   1.669
   28   1HD1  ILE   3          1HD1      ILE   3  -6.130   4.160   3.618
   29   2HD1  ILE   3          2HD1      ILE   3  -7.366   3.035   4.184
   30   3HD1  ILE   3          3HD1      ILE   3  -5.927   2.426   3.364
   31    H    PHE   4           H        PHE   4  -4.244   4.337  -1.688
   32    HA   PHE   4           HA       PHE   4  -2.658   1.910  -1.411
   33   1HB   PHE   4          1HB       PHE   4  -2.700   4.284  -3.173
   34   2HB   PHE   4          2HB       PHE   4  -1.099   3.664  -2.842
   35    HD1  PHE   4           HD1      PHE   4  -4.536   2.743  -4.429
   36    HD2  PHE   4           HD2      PHE   4  -0.169   1.698  -4.003
   37    HE1  PHE   4           HE1      PHE   4  -4.739   1.081  -6.400
   38    HE2  PHE   4           HE2      PHE   4  -0.387   0.028  -5.971
   39    HZ   PHE   4           HZ       PHE   4  -2.664  -0.275  -7.179
   40    H    VAL   5           H        VAL   5  -0.643   1.648  -0.529
   41    HA   VAL   5           HA       VAL   5   0.677   3.777   0.982
   42    HB   VAL   5           HB       VAL   5   1.197   2.129   2.922
   43   1HG1  VAL   5          1HG1      VAL   5  -0.151   4.178   3.091
   44   2HG1  VAL   5          2HG1      VAL   5  -1.600   3.220   2.787
   45   3HG1  VAL   5          3HG1      VAL   5  -0.634   2.923   4.233
   46   1HG2  VAL   5          1HG2      VAL   5   0.044   0.083   1.874
   47   2HG2  VAL   5          2HG2      VAL   5  -0.318   0.416   3.569
   48   3HG2  VAL   5          3HG2      VAL   5  -1.482   0.849   2.317
   49    H    LYS   6           H        LYS   6   2.823   3.846   0.832
   50    HA   LYS   6           HA       LYS   6   4.324   1.590  -0.345
   51   1HB   LYS   6          1HB       LYS   6   3.750   3.915  -1.669
   52   2HB   LYS   6          2HB       LYS   6   5.308   4.315  -0.966
   53   1HG   LYS   6          1HG       LYS   6   6.425   2.653  -2.169
   54   2HG   LYS   6          2HG       LYS   6   4.940   1.770  -2.518
   55   1HD   LYS   6          1HD       LYS   6   4.329   3.185  -4.235
   56   2HD   LYS   6          2HD       LYS   6   5.248   4.549  -3.597
   57   1HE   LYS   6          1HE       LYS   6   7.295   3.655  -4.368
   58   2HE   LYS   6          2HE       LYS   6   6.574   2.078  -4.688
   59   1HZ   LYS   6          1HZ       LYS   6   5.893   4.577  -6.142
   60   2HZ   LYS   6          2HZ       LYS   6   6.946   3.382  -6.715
   61   3HZ   LYS   6          3HZ       LYS   6   5.309   3.027  -6.484
   62    H    THR   7           H        THR   7   6.412   1.191   0.288
   63    HA   THR   7           HA       THR   7   7.520   2.575   2.667
   64    HB   THR   7           HB       THR   7   8.718   0.322   3.103
   65    HG1  THR   7           HG1      THR   7   8.160  -1.335   1.938
   66   1HG2  THR   7          1HG2      THR   7   5.833   0.880   3.658
   67   2HG2  THR   7          2HG2      THR   7   6.537  -0.656   4.164
   68   3HG2  THR   7          3HG2      THR   7   7.208   0.861   4.764
   69    H    LEU   8           H        LEU   8   9.720   2.987   2.810
   70    HA   LEU   8           HA       LEU   8  11.213   3.515   0.420
   71   1HB   LEU   8          1HB       LEU   8  11.534   3.995   3.322
   72   2HB   LEU   8          2HB       LEU   8  13.029   3.913   2.417
   73    HG   LEU   8           HG       LEU   8  11.278   5.634   0.934
   74   1HD1  LEU   8          1HD1      LEU   8   9.978   5.909   3.007
   75   2HD1  LEU   8          2HD1      LEU   8  11.430   6.497   3.816
   76   3HD1  LEU   8          3HD1      LEU   8  10.743   7.405   2.470
   77   1HD2  LEU   8          1HD2      LEU   8  13.739   5.762   1.007
   78   2HD2  LEU   8          2HD2      LEU   8  12.963   7.318   1.300
   79   3HD2  LEU   8          3HD2      LEU   8  13.638   6.401   2.648
   80    H    ASP   9           H        ASP   9  11.135   0.691   2.455
   81    HA   ASP   9           HA       ASP   9  13.750  -0.427   2.042
   82   1HB   ASP   9          1HB       ASP   9  11.255  -1.275   3.363
   83   2HB   ASP   9          2HB       ASP   9  12.208  -2.598   2.701
   84    H    GLY  10           H        GLY  10  10.634  -0.828   0.322
   85   1HA   GLY  10          2HA       GLY  10  11.902  -2.510  -1.776
   86   2HA   GLY  10          1HA       GLY  10  10.805  -1.192  -2.145
   87    H    LYS  11           H        LYS  11   8.676  -1.513  -0.499
   88    HA   LYS  11           HA       LYS  11   7.397  -4.011  -1.391
   89   1HB   LYS  11          1HB       LYS  11   7.828  -3.197   1.420
   90   2HB   LYS  11          2HB       LYS  11   6.170  -3.628   1.053
   91   1HG   LYS  11          1HG       LYS  11   6.662  -5.775   1.272
   92   2HG   LYS  11          2HG       LYS  11   7.780  -5.671  -0.078
   93   1HD   LYS  11          1HD       LYS  11   9.487  -6.097   1.303
   94   2HD   LYS  11          2HD       LYS  11   9.162  -4.610   2.183
   95   1HE   LYS  11          1HE       LYS  11   9.011  -6.110   3.898
   96   2HE   LYS  11          2HE       LYS  11   7.331  -6.139   3.364
   97   1HZ   LYS  11          1HZ       LYS  11   7.954  -8.089   1.962
   98   2HZ   LYS  11          2HZ       LYS  11   9.459  -8.109   2.732
   99   3HZ   LYS  11          3HZ       LYS  11   8.048  -8.369   3.627
  100    H    THR  12           H        THR  12   5.250  -3.903  -1.947
  101    HA   THR  12           HA       THR  12   3.692  -1.432  -1.598
  102    HB   THR  12           HB       THR  12   2.823  -1.750  -4.029
  103    HG1  THR  12           HG1      THR  12   5.355  -3.039  -4.250
  104   1HG2  THR  12          1HG2      THR  12   5.500  -0.544  -3.368
  105   2HG2  THR  12          2HG2      THR  12   4.765  -0.383  -4.964
  106   3HG2  THR  12          3HG2      THR  12   3.943   0.265  -3.544
  107    H    ILE  13           H        ILE  13   1.677  -1.753  -0.954
  108    HA   ILE  13           HA       ILE  13   0.056  -4.076  -1.594
  109    HB   ILE  13           HB       ILE  13  -0.631  -4.464   0.869
  110   1HG1  ILE  13          1HG1      ILE  13   2.041  -4.159   2.046
  111   2HG1  ILE  13          2HG1      ILE  13   1.469  -2.595   1.488
  112   1HG2  ILE  13          1HG2      ILE  13   1.984  -5.518  -0.179
  113   2HG2  ILE  13          2HG2      ILE  13   1.081  -6.221   1.164
  114   3HG2  ILE  13          3HG2      ILE  13   0.368  -6.172  -0.449
  115   1HD1  ILE  13          1HD1      ILE  13  -0.105  -4.396   3.311
  116   2HD1  ILE  13          2HD1      ILE  13   0.962  -3.107   3.870
  117   3HD1  ILE  13          3HD1      ILE  13  -0.456  -2.717   2.897
  118    H    THR  14           H        THR  14  -2.122  -3.774  -1.569
  119    HA   THR  14           HA       THR  14  -3.152  -1.049  -1.237
  120    HB   THR  14           HB       THR  14  -5.327  -2.053  -2.172
  121    HG1  THR  14           HG1      THR  14  -5.273  -4.047  -3.048
  122   1HG2  THR  14          1HG2      THR  14  -3.420  -0.798  -3.461
  123   2HG2  THR  14          2HG2      THR  14  -3.238  -2.368  -4.247
  124   3HG2  THR  14          3HG2      THR  14  -4.790  -1.528  -4.296
  125    H    LEU  15           H        LEU  15  -4.808  -0.390   0.083
  126    HA   LEU  15           HA       LEU  15  -5.701  -2.195   2.231
  127   1HB   LEU  15          1HB       LEU  15  -4.378   0.299   2.433
  128   2HB   LEU  15          2HB       LEU  15  -6.040   0.626   2.874
  129    HG   LEU  15           HG       LEU  15  -5.159  -1.764   4.270
  130   1HD1  LEU  15          1HD1      LEU  15  -2.896  -0.728   3.926
  131   2HD1  LEU  15          2HD1      LEU  15  -3.446   0.616   4.926
  132   3HD1  LEU  15          3HD1      LEU  15  -3.364  -1.011   5.603
  133   1HD2  LEU  15          1HD2      LEU  15  -6.997  -0.217   4.944
  134   2HD2  LEU  15          2HD2      LEU  15  -5.867  -0.610   6.239
  135   3HD2  LEU  15          3HD2      LEU  15  -5.768   0.952   5.428
  136    H    GLU  16           H        GLU  16  -7.596  -2.978   1.749
  137    HA   GLU  16           HA       GLU  16  -9.762  -1.306   0.636
  138   1HB   GLU  16          1HB       GLU  16  -8.686  -3.938  -0.251
  139   2HB   GLU  16          2HB       GLU  16 -10.430  -3.740  -0.324
  140   1HG   GLU  16          1HG       GLU  16  -9.815  -1.516  -1.579
  141   2HG   GLU  16          2HG       GLU  16  -8.285  -2.341  -1.865
  142    H    VAL  17           H        VAL  17 -11.860  -1.599   1.337
  143    HA   VAL  17           HA       VAL  17 -12.345  -3.345   3.658
  144    HB   VAL  17           HB       VAL  17 -12.158  -0.887   4.210
  145   1HG1  VAL  17          1HG1      VAL  17 -13.286   0.208   2.349
  146   2HG1  VAL  17          2HG1      VAL  17 -14.835  -0.442   2.893
  147   3HG1  VAL  17          3HG1      VAL  17 -13.957   0.709   3.901
  148   1HG2  VAL  17          1HG2      VAL  17 -13.258  -2.409   5.753
  149   2HG2  VAL  17          2HG2      VAL  17 -13.949  -0.789   5.836
  150   3HG2  VAL  17          3HG2      VAL  17 -14.812  -2.075   4.990

  No H/Q in entry =         150