*HEADER    ANTIMICROBIAL PROTEIN                   16-JUN-16   5KI0              
*TITLE     NMR STRUCTURE OF HUMAN ANTIMICROBIAL PEPTIDE KAMP-19                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ANTIMICROBIAL PEPTIDE KAMP-19;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_TAXID: 9606                                                 
*KEYWDS    KERATIN 6A FRAGMENT, NON-ALPHA BETA STRUCTURE, ANTIMICROBIAL PROTEIN  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    G.WANG                                                                
*REVDAT   1   23-NOV-16 5KI0    0                                                
# Restraints file 1: kamp19_nmr.tbl
!! phi and phi angles for pep10 #Gus Sept 15 2004

!! 2
assign (resid 1 and name  C) (resid 2 and name  N)
       (resid 2 and name CA) (resid 2 and name  C)   1 -83.00 30.00  2 !
assign (resid 2 and name  N) (resid 2 and name CA)
       (resid 2 and name  C) (resid 3 and name  N)   1 -32.00 30.00  2 !

!! 3
assign (resid 2 and name  C) (resid 3 and name  N)
       (resid 3 and name CA) (resid 3 and name  C)   1 -72.00 30.00  2 !
assign (resid 3 and name  N) (resid 3 and name CA)
       (resid 3 and name  C) (resid 4 and name  N)   1 -24.00 30.00  2 !
{
!! 4
assign (resid 3 and name  C) (resid 4 and name  N)
       (resid 4 and name CA) (resid 4 and name  C)   1 -65.00 20.00  2 !
assign (resid 4 and name  N) (resid 4 and name CA)
       (resid 4 and name  C) (resid 5 and name  N)   1 -44.00 20.00  2 !

!! 5
assign (resid 4 and name  C) (resid 5 and name  N)
       (resid 5 and name CA) (resid 5 and name  C)   1 -64.00 20.00  2 !
assign (resid 5 and name  N) (resid 5 and name CA)
       (resid 5 and name  C) (resid 6 and name  N)   1 -40.00 20.00  2 !

!! 6      
assign (resid 5 and name  C) (resid 6 and name  N)
       (resid 6 and name CA) (resid 6 and name  C)   1 -64.00 10.00  2 !
assign (resid 6 and name  N) (resid 6 and name CA)
       (resid 6 and name  C) (resid 7 and name  N)   1 -43.00 10.00  2 ! 
}
!! 7
assign (resid 6 and name  C) (resid 7 and name  N)
       (resid 7 and name CA) (resid 7 and name  C)   1 -68.00 20.00  2 !
assign (resid 7 and name  N) (resid 7 and name CA)
       (resid 7 and name  C) (resid 8 and name  N)   1 -26.00 20.00  2 ! 
!! 8
assign (resid 7 and name  C) (resid 8 and name  N)
       (resid 8 and name CA) (resid 8 and name  C)   1 -69.00 20.00  2 !
assign (resid 8 and name  N) (resid 8 and name CA)
       (resid 8 and name  C) (resid 9 and name  N)   1 -29.00 20.00  2 ! 
!! 9
assign (resid 8 and name  C) (resid 9 and name  N)
       (resid 9 and name CA) (resid 9 and name  C)   1 -73.00 20.00  2 !
assign (resid 9 and name  N) (resid 9 and name CA)
       (resid 9 and name  C) (resid 10 and name N)   1 -33.00 20.00  2 ! 
{
!! 10
assign (resid 9 and name  C) (resid 10 and name  N)
       (resid 10 and name CA) (resid 10 and name  C)   1 -65.00 10.00  2 !
assign (resid 10 and name  N) (resid 10 and name CA)
       (resid 10 and name  C) (resid 11 and name  N)   1 -37.00 10.00  2 ! 
!! 11
assign (resid 10 and name  C) (resid 11 and name  N)
       (resid 11 and name CA) (resid 11 and name  C)   1 -65.00 10.00  2 !
assign (resid 11 and name  N) (resid 11 and name CA)
       (resid 11 and name  C)  (resid 12 and name N)   1 -39.00 10.00  2 ! 
!! 12
assign (resid 11 and name  C) (resid 12 and name  N)
       (resid 12 and name CA) (resid 12 and name  C)   1 -66.00 10.00  2 !
assign (resid 12 and name  N) (resid 12 and name CA)
       (resid 12 and name  C) (resid 13 and name  N)   1 -42.00 10.00  2 !
}
!! 14
assign (resid 13 and name  C) (resid 14 and name  N)
       (resid 14 and name CA) (resid 14 and name  C)   1 -63.00 30.00  2 !
assign (resid 14 and name  N) (resid 14 and name CA)
       (resid 14 and name  C) (resid 15 and name  N)   1 -36.00 30.00  2 !
!! 15
assign (resid 14 and name  C) (resid 15 and name  N)
       (resid 15 and name CA) (resid 15 and name  C)   1 -72.00 30.00  2 !
assign (resid 15 and name  N) (resid 15 and name CA)
       (resid 15 and name  C)  (resid 16 and name N)   1 -29.00 30.00  2 !
!! 16
assign (resid 15 and name  C) (resid 16 and name  N)
       (resid 16 and name CA) (resid 16 and name  C)   1 -66.00 30.00  2 !
assign (resid 16 and name  N) (resid 16 and name CA)
       (resid 16 and name  C) (resid 17 and name  N)   1 -38.00 30.00  2 !
!! 17
assign (resid 16 and name  C) (resid 17 and name  N)
       (resid 17 and name CA) (resid 17 and name  C)   1 -75.00 30.00  2 !
assign (resid 17 and name  N) (resid 17 and name CA)
       (resid 17 and name  C) (resid 18 and name  N)   1 -42.00 30.00  2 !


!END
! pck2xplr.nawk Table; Input File: tam_noe1.sort
!   Date: Wed Jul 24 15:47:30 EDT 2013
!   Path: /hbar1/gswang/Tam_p/ctp1sds_wgnoesyR_71913.fid
!
!@ BEGIN_XPLR_PCK_SUM
! LBL   File-Name                   All   Intra  Seq.  Short   Long
! A   tam_noe1.sort                  94    35     47     12      0
!    Total                           94    35     47     12      0

!@ END_XPLR_PCK_SUM
!@ BEGIN_XPLR_NOE_FILE
!
! 1
assign (resid   1 and name   HE ) (resid   1 and name  HB# )  4.0  2.2  2.5 ! A.109  at 2.44e+04
assign (resid   1 and name  HG# ) (resid   1 and name   HA )  4.0  2.2  1.5 ! A.97   at 4.55e+04
assign (resid   1 and name   HE ) (resid   1 and name  HG# )  4.0  2.2  1.5 ! A.110  at 6.44e+04
assign (resid   1 and name   HA ) (resid   2 and name  HB# )  4.0  2.2  2.5 ! A.104  at 1.56e+04
assign (resid   1 and name  HB# ) (resid   2 and name   HN )  4.0  2.2  1.5 ! A.72   at 5.24e+04
assign (resid   1 and name   HA ) (resid   2 and name   HN )  2.5  0.7  0.4 ! A.31   at 2.57e+05
assign (resid   1 and name   HA ) (resid   3 and name   HN )  4.0  2.2  2.0 ! A.66   at 1.06e+04
assign (resid   1 and name  HB# ) (resid   3 and name   HN )  4.0  2.2  2.5 ! A.115  at 1.53e+04
assign (resid   1 and name  HG# ) (resid   3 and name   HN )  4.0  2.2  2.5 ! A.116  at 1.58e+04
assign (resid   1 and name  HD# ) (resid   2 and name   HN )  4.0  2.2  2.5 ! add1 

! 2
assign (resid   2 and name   HN ) (resid   2 and name  HB# )  2.5  0.7  0.9 ! A.70   at 1.92e+05
assign (resid   2 and name   HN ) (resid   3 and name   HN )  4.0  2.2  1.0 ! A.1    at 6.60e+04
assign (resid   2 and name  HB# ) (resid   3 and name   HN )  3.0  1.2  1.0 ! A.112  at 9.73e+04
assign (resid   2 and name  HB# ) (resid   3 and name   HA )  4.0  2.2  3.0 ! add
assign (resid   2 and name   HA ) (resid   3 and name   HN )  2.5  0.7  0.4 ! A.42   at 1.69e+05
assign (resid   2 and name   HN ) (resid  1 and name  HG# )  4.0  2.2  1.5 ! A.71   at 3.15e+04
assign (resid   2 and name   HN ) (resid   3 and name   HG2#) 4.0  2.2  3.0 ! add3
assign (resid   2 and name   HA ) (resid   3 and name   HG2#) 4.0  2.2  3.5 !
assign (resid   2 and name   HA ) (resid   3 and name   HB )  4.0  2.2  2.0 ! 
assign (resid   2 and name   HN ) (resid   3 and name   HA )  4.0  2.2  3.0 ! add
assign (resid   2 and name  HB# ) (resid   4 and name   HN )  4.0  2.2  3.0 ! add 
assign (resid   2 and name  HB# ) (resid   5 and name   HA )  4.0  2.2  3.0 ! add

! 3
assign (resid   3 and name HD1# ) (resid   3 and name   HA )  4.0  2.2  1.5 ! A.107  at 4.03e+04
assign (resid   3 and name   HN ) (resid   3 and name HG1# )  4.0  2.2  1.5 ! A.122  at 6.93e+04
assign (resid   3 and name HG2# ) (resid   3 and name   HA )  3.0  1.2  0.8 ! A.106  at 1.09e+05
assign (resid   3 and name   HN ) (resid   3 and name   HB )  3.0  1.2  0.5 ! A.114  at 1.17e+05
assign (resid   3 and name   HN ) (resid   4 and name   HN )  4.0  2.2  1.0 ! A.10   at 4.49e+04
assign (resid   3 and name   HB ) (resid   4 and name   HN )  4.0  2.2  1.0 ! A.73   at 4.53e+04
assign (resid   3 and name HG2# ) (resid   4 and name   HN )  4.0  2.2  1.5 ! A.74   at 7.32e+04
assign (resid   3 and name HG1# ) (resid   4 and name   HN )  4.0  2.2  2.5 ! add
assign (resid   3 and name HG2# ) (resid   4 and name   HA )  4.0  2.2  3.5 ! add
assign (resid   3 and name   HA ) (resid   4 and name   HN )  2.5  0.7  0.4 ! A.61   at 2.82e+05
assign (resid   3 and name HG2# ) (resid   5 and name   HN )  4.0  2.2  2.5 ! A.78   at 2.00e+04
assign (resid   3 and name HG2# ) (resid   5 and name   HA )  4.0  2.2  3.5 ! add

! 4
assign (resid   4 and name  HA1 ) (resid   5 and name   HN )  4.0  2.2  1.0 ! A.60   at 7.72e+04

! 5
assign (resid   5 and name   HN ) (resid   6 and name   HN )  3.0  1.2  0.5 ! A.20   at 1.42e+05

! 6
assign (resid   6 and name   HN ) (resid   7 and name   HN )  3.0  1.2  0.5 ! A.15   at 1.02e+05
assign (resid   6 and name  HA# ) (resid   7 and name   HN )  2.5  0.7  0.9 ! A.56   at 1.82e+05
assign (resid   6 and name   HN ) (resid   7 and name   HB#)  4.0  2.2  3.5 !add 4
assign (resid   6 and name   HN ) (resid   7 and name   HA )  4.0  2.2  3.0 !add

! 7
assign (resid   7 and name   HN ) (resid   7 and name HD1# )  4.0  2.2  1.5 ! A.85   at 4.22e+04
assign (resid   7 and name   HN ) (resid   7 and name HD2# )  4.0  2.2  1.5 ! A.84   at 4.39e+04
assign (resid   7 and name HD1# ) (resid   7 and name   HA )  4.0  2.2  1.5 ! A.108  at 4.69e+04
assign (resid   7 and name HD2# ) (resid   7 and name   HA )  2.5  0.7  0.7 ! A.105  at 2.17e+05
assign (resid   7 and name HD2# ) (resid   8 and name   HA )  4.0  2.2  3.5 ! 
assign (resid   7 and name   HA ) (resid   8 and name   HN )  3.0  1.2  0.5 ! A.54   at 1.27e+05
assign (resid   7 and name   HA ) (resid  10 and name   HN )  4.0  2.2  1.0 ! A.38   at 1.67e+04
assign (resid   7 and name   HA ) (resid  10 and name   HB )  4.0  2.2  1.0 ! 
assign (resid   7 and name   HA ) (resid  10 and name HG1# )  4.0  2.2  1.5 ! A.100  at 4.79e+04

! 8
assign (resid   8 and name   HN ) (resid   8 and name  HB2 )  3.0  1.2  0.5 ! A.57   at 1.10e+05
assign (resid   8 and name   HN ) (resid   9 and name   HN )  3.0  1.2  0.5 ! A.14   at 1.26e+05
assign (resid   8 and name   HN ) (resid  10 and name   HN )  4.0  2.2  2.0 ! A.11   at 1.32e+04
assign (resid   8 and name   HA ) (resid  10 and name   HN )  4.0  2.2  1.0 ! A.37   at 1.32e+04
assign (resid   8 and name   HA ) (resid  10 and name   HG1#) 4.0  2.2  3.0 !add
assign (resid   8 and name   HA ) (resid  10 and name   HG2#) 4.0  2.2  3.0 !add

! 9
assign (resid   9 and name   HN ) (resid   9 and name  HB# )  3.0  1.2  1.0 ! A.52   at 1.05e+05
assign (resid   9 and name   HN ) (resid  10 and name HG1# )  4.0  2.2  2.5 ! A.88   at 2.24e+04
assign (resid   9 and name   HN ) (resid  10 and name HG2# )  4.0  2.2  2.5 !
assign (resid   9 and name  HB# ) (resid  10 and name   HN )  4.0  2.2  1.5 ! A.36   at 3.40e+04
assign (resid   9 and name  HB# ) (resid  10 and name HG1# )  4.0  2.2  3.5 ! 
assign (resid   9 and name  HB# ) (resid  10 and name HG2# )  4.0  2.2  3.5 !
assign (resid   9 and name   HA ) (resid  10 and name   HN )  4.0  2.2  1.0 ! A.35   at 7.96e+04
assign (resid   9 and name   HN ) (resid  10 and name   HN )  3.0  1.2  0.5 ! A.8    at 1.27e+05
assign (resid   9 and name   HA ) (resid  10 and name HG1# )  4.0  2.2  3.5 ! add
assign (resid   9 and name   HA ) (resid  10 and name HG2# )  4.0  2.2  3.5 ! add
! 10
assign (resid  10 and name   HN ) (resid  10 and name HG2# )  4.0  2.2  1.5 ! A.83   at 6.77e+04
assign (resid  10 and name   HN ) (resid  10 and name   HB )  3.0  1.2  0.5 ! A.111  at 1.09e+05
assign (resid  10 and name HG1# ) (resid  10 and name   HA )  3.0  1.2  0.8 ! A.94   at 1.31e+05
assign (resid  10 and name HG2# ) (resid  10 and name   HA )  3.0  1.2  0.8 ! A.93   at 1.36e+05
assign (resid  10 and name   HN ) (resid  10 and name HG1# )  2.5  0.7  0.9 ! A.82   at 1.90e+05
assign (resid  10 and name HG1# ) (resid  11 and name   HN )  4.0  2.2  1.5 ! A.76   at 4.29e+04
assign (resid  10 and name   HB ) (resid  11 and name   HN )  4.0  2.2  1.0 ! A.75   at 4.58e+04
assign (resid  10 and name   HN ) (resid  11 and name   HN )  4.0  2.2  1.0 ! A.6    at 6.19e+04
assign (resid  10 and name HG2# ) (resid  11 and name   HN )  4.0  2.2  1.5 ! A.77   at 7.53e+04
assign (resid  10 and name   HA ) (resid  11 and name   HN )  2.5  0.7  0.4 ! A.62   at 2.39e+05
assign (resid  10 and name HG1# ) (resid  13 and name   HN )  4.0  2.2  2.5 !
assign (resid  10 and name HG2# ) (resid  13 and name   HN )  4.0  2.2  2.5 !

! 11
assign (resid  11 and name  HA1 ) (resid  12 and name   HN )  3.0  1.2  0.5 ! A.65   at 1.13e+05

! 12
assign (resid  12 and name   HN ) (resid  13 and name   HN )  3.0  1.2  0.5 ! A.17   at 1.46e+05

! 13

! 14
assign (resid  14 and name   HA ) (resid  15 and name   HN )  3.0  1.2  0.5 ! A.46   at 1.12e+05
assign (resid  14 and name   HN ) (resid  15 and name   HN )  2.5  0.7  0.4 ! A.19   at 2.07e+05

! 15
assign (resid  15 and name   HN ) (resid  16 and name   HA )  4.0  2.2  2.0 ! A.48   at 1.25e+04
assign (resid  15 and name   HN ) (resid  16 and name   HN )  4.0  2.2  1.0 ! A.16   at 8.30e+04
assign (resid  15 and name   HA ) (resid  16 and name   HN )  2.5  0.7  0.4 ! A.43   at 1.61e+05
assign (resid  15 and name   HN ) (resid  17 and name   HN )  4.0  2.2  2.0 ! A.18   at 1.56e+04
assign (resid  15 and name   HA ) (resid  17 and name   HN )  4.0  2.2  1.0 ! add

! 16
assign (resid  16 and name   HN ) (resid  16 and name   HB )  4.0  2.2  1.0 ! A.55   at 5.13e+04
assign (resid  16 and name   HN ) (resid  16 and name HG2# )  4.0  2.2  1.5 ! A.86   at 6.12e+04
assign (resid  16 and name HG2# ) (resid  16 and name   HA )  3.0  1.2  0.8 ! A.91   at 1.14e+05
assign (resid  16 and name   HB ) (resid  17 and name   HN )  4.0  2.2  1.0 ! A.40   at 4.26e+04
assign (resid  16 and name   HN ) (resid  17 and name   HN )  4.0  2.2  1.0 ! A.12   at 9.43e+04
assign (resid  16 and name   HA ) (resid  17 and name   HN )  3.0  1.2  0.5 ! A.39   at 1.49e+05
assign (resid  16 and name   HA ) (resid  17 and name  HG2# ) 4.0  2.2  3.5 !
assign (resid  16 and name   HA ) (resid  17 and name   HB )  4.0  2.2  2.0 !

! 17
assign (resid  17 and name   HN ) (resid  17 and name HG2# )  4.0  2.2  1.5 ! A.69   at 5.55e+04
assign (resid  17 and name   HN ) (resid  17 and name HG1# )  4.0  2.2  1.5 ! A.121  at 8.39e+04
assign (resid  17 and name   HN ) (resid  17 and name   HB )  3.0  1.2  0.5 ! A.113  at 1.12e+05
assign (resid  17 and name   HB ) (resid  18 and name   HN )  4.0  2.2  1.0 ! A.117  at 3.47e+04
assign (resid  17 and name HG2# ) (resid  18 and name   HN )  4.0  2.2  1.5 ! A.87   at 5.74e+04
assign (resid  17 and name HG2# ) (resid  18 and name   HA )  4.0  2.2  2.5 ! add
assign (resid  17 and name   HN ) (resid  18 and name   HN )  4.0  2.2  1.0 ! A.13   at 6.76e+04
assign (resid  17 and name   HA ) (resid  18 and name   HN )  3.0  1.2  0.5 ! A.51   at 2.33e+05
assign (resid  17 and name   HA ) (resid  19 and name   HN )  4.0  2.2  2.0 ! add
assign (resid  17 and name HG2# ) (resid  19 and name  HE# )  4.0  2.2  3.5 ! A.68   at 1.24e+04
assign (resid  17 and name HG1# ) (resid  19 and name  HE# )  4.0  2.2  3.5 !`
assign (resid  17 and name HG2# ) (resid  19 and name  HD# )  4.0  2.2  3.5 ! A.67   at 2.60e+04
assign (resid  17 and name HG1# ) (resid  19 and name  HD# )  4.0  2.2  3.5 !
assign (resid  17 and name HG2# ) (resid  19 and name   HN )  4.0  2.2  2.5 ! A.79   at 2.98e+04

! 18
assign (resid  18 and name   HN ) (resid  18 and name  HB# )  4.0  2.2  1.5 ! A.118  at 4.10e+04
assign (resid  18 and name   HN ) (resid  18 and name  HD# )  4.0  2.2  1.5 ! A.119  at 6.56e+04
assign (resid  18 and name   HN ) (resid  19 and name  HD# )  4.0  2.2  2.5 ! A.9    at 1.04e+04
assign (resid  18 and name   HA ) (resid  19 and name  HD# )  4.0  2.2  2.5 ! A.124  at 1.14e+04
assign (resid  18 and name  HD# ) (resid  19 and name   HN )  4.0  2.2  2.5 ! A.81   at 1.99e+04
assign (resid  18 and name  HB# ) (resid  19 and name   HN )  4.0  2.2  2.5 ! A.80   at 2.15e+04
!assign (resid  18 and name   HZ ) (resid  19 and name  HD# )  4.0  2.2  1.5 ! not15  A.21   at 3.01e+04
assign (resid  18 and name   HN ) (resid  19 and name   HN )  4.0  2.2  1.0 ! A.7    at 4.77e+04
assign (resid  18 and name   HA ) (resid  19 and name   HN )  2.5  0.7  0.4 ! A.32   at 1.76e+05
assign (resid  18 and name  HB# ) (resid  19 and name  HD# )   4.0  2.2  4.5 !add5
assign (resid  18 and name  HG# ) (resid  19 and name  HD# )   4.0  2.2  3.5 !add
assign (resid  18 and name  HD# ) (resid  19 and name  HD# )   4.0  2.2  3.5 !add
assign (resid  18 and name  HA  ) (resid  19 and name  HD# )   4.0  2.2  3.5 !add
assign (resid  18 and name  HD# ) (resid  19 and name  HE# )   4.0  2.2  4.5 !

! 19
assign (resid  19 and name  HE# ) (resid  19 and name  HB1 )  4.0  2.2  2.5 ! A.25   at 1.40e+04
assign (resid  19 and name  HE# ) (resid  19 and name  HB2 )  4.0  2.2  2.5 ! A.26   at 1.41e+04
assign (resid  19 and name   HN ) (resid  19 and name  HD# )  4.0  2.2  1.5 ! A.2    at 3.96e+04
assign (resid  19 and name   HN ) (resid  19 and name  HB1 )  4.0  2.2  1.0 ! A.27   at 4.30e+04
assign (resid  19 and name  HD# ) (resid  19 and name   HA )  4.0  2.2  1.5 ! A.22   at 5.01e+04
assign (resid  19 and name  HE# ) (resid  19 and name   HA )  4.0  2.2  2.5 ! add2
assign (resid  19 and name   HN ) (resid  19 and name  HB2 )  4.0  2.2  1.0 ! A.28   at 6.86e+04
assign (resid  19 and name  HD# ) (resid  19 and name  HB2 )  4.0  2.2  1.5 ! A.24   at 9.35e+04
assign (resid  19 and name  HD# ) (resid  19 and name  HB1 )  3.0  1.2  0.8 ! A.23   at 1.06e+05

!@ END_XPLR_NOE_FILE
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           HT1      ARG   1  -4.892   1.947  -2.083
    2    H2   ARG   1           HT2      ARG   1  -3.731   1.554  -0.906
    3    H3   ARG   1           HT3      ARG   1  -5.295   2.025  -0.437
    4    HA   ARG   1           HA       ARG   1  -6.259   0.044  -1.149
    5    HB2  ARG   1           HB2      ARG   1  -3.628  -0.696  -2.450
    6    HB3  ARG   1           HB1      ARG   1  -5.182  -1.512  -2.624
    7    HG2  ARG   1           HG2      ARG   1  -6.074   0.677  -3.588
    8    HG3  ARG   1           HG1      ARG   1  -4.396   1.216  -3.667
    9    HD2  ARG   1           HD2      ARG   1  -4.918   0.278  -5.813
   10    HD3  ARG   1           HD1      ARG   1  -3.890  -0.889  -4.984
   11    HE   ARG   1           HE       ARG   1  -6.420  -1.696  -4.346
   12   HH11  ARG   1          HH11      ARG   1  -7.600  -3.174  -5.604
   13   HH12  ARG   1          HH12      ARG   1  -7.252  -3.337  -7.293
   14   HH21  ARG   1          HH21      ARG   1  -4.733  -0.954  -7.276
   15   HH22  ARG   1          HH22      ARG   1  -5.630  -2.080  -8.239
   16    H    ALA   2           HN       ALA   2  -4.873  -2.414  -0.913
   17    HA   ALA   2           HA       ALA   2  -4.140  -2.281   1.905
   18    HB1  ALA   2           HB1      ALA   2  -4.516  -4.630   1.987
   19    HB2  ALA   2           HB2      ALA   2  -4.422  -4.771   0.231
   20    HB3  ALA   2           HB3      ALA   2  -5.806  -3.972   0.979
   21    H    ILE   3           HN       ILE   3  -2.594  -1.951  -0.867
   22    HA   ILE   3           HA       ILE   3  -0.184  -3.427  -0.066
   23    HB   ILE   3           HB       ILE   3  -1.221  -3.543  -2.454
   24   HG12  ILE   3          HG12      ILE   3   1.256  -3.353  -3.392
   25   HG13  ILE   3          HG11      ILE   3   1.664  -3.185  -1.686
   26   HG21  ILE   3          HG21      ILE   3  -1.302  -0.969  -2.524
   27   HG22  ILE   3          HG22      ILE   3  -0.681  -1.791  -3.955
   28   HG23  ILE   3          HG23      ILE   3   0.436  -1.043  -2.813
   29   HD11  ILE   3          HD11      ILE   3   0.032  -5.457  -2.859
   30   HD12  ILE   3          HD12      ILE   3   0.538  -5.300  -1.177
   31   HD13  ILE   3          HD13      ILE   3   1.742  -5.554  -2.441
   32    H    GLY   4           HN       GLY   4  -1.453  -0.669   0.679
   33    HA2  GLY   4           HA2      GLY   4   0.349   1.376   0.036
   34    HA3  GLY   4           HA1      GLY   4  -0.654   1.340   1.483
   35    H    GLY   5           HN       GLY   5   2.392   0.129   0.125
   36    HA2  GLY   5           HA2      GLY   5   3.434  -0.455   2.797
   37    HA3  GLY   5           HA1      GLY   5   4.228  -0.806   1.265
   38    H    GLY   6           HN       GLY   6   5.370   0.852   0.182
   39    HA2  GLY   6           HA2      GLY   6   6.085   3.166   0.015
   40    HA3  GLY   6           HA1      GLY   6   5.868   3.309   1.756
   41    H    LEU   7           HN       LEU   7   8.104   2.854  -0.681
   42    HA   LEU   7           HA       LEU   7   9.984   1.133   0.586
   43    HB2  LEU   7           HB2      LEU   7  10.177   3.172  -1.625
   44    HB3  LEU   7           HB1      LEU   7  11.605   2.331  -1.028
   45    HG   LEU   7           HG       LEU   7  10.518   1.231  -3.020
   46   HD11  LEU   7          HD11      LEU   7  11.081  -0.876  -2.275
   47   HD12  LEU   7          HD12      LEU   7  10.208  -0.697  -0.755
   48   HD13  LEU   7          HD13      LEU   7  11.783   0.067  -0.962
   49   HD21  LEU   7          HD21      LEU   7   8.386   0.198  -2.822
   50   HD22  LEU   7          HD22      LEU   7   8.170   1.810  -2.141
   51   HD23  LEU   7          HD23      LEU   7   8.353   0.417  -1.073
   52    H    SER   8           HN       SER   8   9.225   4.516   0.873
   53    HA   SER   8           HA       SER   8  11.676   5.320   2.109
   54    HB2  SER   8           HB2      SER   8   8.928   6.584   2.154
   55    HB3  SER   8           HB1      SER   8  10.398   7.348   2.751
   56    HG   SER   8           HG       SER   8  10.042   7.975   0.623
   57    H    SER   9           HN       SER   9   9.150   3.382   3.164
   58    HA   SER   9           HA       SER   9   9.280   4.176   5.968
   59    HB2  SER   9           HB2      SER   9   7.912   1.729   4.855
   60    HB3  SER   9           HB1      SER   9   7.546   2.606   6.338
   61    HG   SER   9           HG       SER   9   6.670   4.227   5.170
   62    H    VAL  10           HN       VAL  10  10.979   2.191   3.831
   63    HA   VAL  10           HA       VAL  10  11.680  -0.007   5.435
   64    HB   VAL  10           HB       VAL  10  12.123   0.346   2.945
   65   HG11  VAL  10          HG11      VAL  10  13.292   2.592   3.435
   66   HG12  VAL  10          HG12      VAL  10  14.069   1.522   2.270
   67   HG13  VAL  10          HG13      VAL  10  14.682   1.621   3.921
   68   HG21  VAL  10          HG21      VAL  10  14.184  -1.023   3.024
   69   HG22  VAL  10          HG22      VAL  10  12.999  -1.576   4.209
   70   HG23  VAL  10          HG23      VAL  10  14.383  -0.612   4.728
   71    H    GLY  11           HN       GLY  11  13.091  -0.277   7.071
   72    HA2  GLY  11           HA2      GLY  11  14.611   2.098   7.973
   73    HA3  GLY  11           HA1      GLY  11  14.032   0.810   9.025
   74    H    GLY  12           HN       GLY  12  16.597   1.413   9.329
   75    HA2  GLY  12           HA2      GLY  12  18.557   0.165   9.585
   76    HA3  GLY  12           HA1      GLY  12  17.953  -0.989   8.401
   77    H    GLY  13           HN       GLY  13  17.370   1.724   6.839
   78    HA2  GLY  13           HA2      GLY  13  18.553   3.148   5.412
   79    HA3  GLY  13           HA1      GLY  13  20.059   2.450   5.999
   80    H    SER  14           HN       SER  14  18.872   2.938   3.230
   81    HA   SER  14           HA       SER  14  18.778   0.209   2.165
   82    HB2  SER  14           HB2      SER  14  17.977   1.195   0.134
   83    HB3  SER  14           HB1      SER  14  17.109   1.952   1.466
   84    HG   SER  14           HG       SER  14  18.021   3.396  -0.178
   85    H    SER  15           HN       SER  15  20.427   3.241   1.305
   86    HA   SER  15           HA       SER  15  22.293   2.056  -0.420
   87    HB2  SER  15           HB2      SER  15  21.761   4.442  -0.507
   88    HB3  SER  15           HB1      SER  15  22.502   4.668   1.075
   89    HG   SER  15           HG       SER  15  23.740   3.826  -1.338
   90    H    THR  16           HN       THR  16  22.099   1.447   2.700
   91    HA   THR  16           HA       THR  16  24.719   1.773   3.700
   92    HB   THR  16           HB       THR  16  23.782   0.898   5.547
   93    HG1  THR  16           HG1      THR  16  23.196  -1.310   5.557
   94   HG21  THR  16          HG21      THR  16  21.695   1.730   4.513
   95   HG22  THR  16          HG22      THR  16  21.409   0.305   5.514
   96   HG23  THR  16          HG23      THR  16  21.458   0.154   3.757
   97    H    ILE  17           HN       ILE  17  23.319  -0.564   1.532
   98    HA   ILE  17           HA       ILE  17  25.519  -2.432   1.734
   99    HB   ILE  17           HB       ILE  17  23.250  -3.211   1.183
  100   HG12  ILE  17          HG12      ILE  17  24.998  -3.570  -1.258
  101   HG13  ILE  17          HG11      ILE  17  25.413  -4.304   0.291
  102   HG21  ILE  17          HG21      ILE  17  22.148  -2.593  -0.838
  103   HG22  ILE  17          HG22      ILE  17  23.599  -1.825  -1.482
  104   HG23  ILE  17          HG23      ILE  17  22.726  -1.079  -0.143
  105   HD11  ILE  17          HD11      ILE  17  24.043  -5.754  -1.319
  106   HD12  ILE  17          HD12      ILE  17  22.695  -4.669  -0.978
  107   HD13  ILE  17          HD13      ILE  17  23.422  -5.609   0.325
  108    H    LYS  18           HN       LYS  18  24.992   0.512   0.157
  109    HA   LYS  18           HA       LYS  18  26.042   1.601  -1.576
  110    HB2  LYS  18           HB2      LYS  18  27.899   1.560  -0.040
  111    HB3  LYS  18           HB1      LYS  18  28.276  -0.106  -0.459
  112    HG2  LYS  18           HG2      LYS  18  29.828   1.454  -1.571
  113    HG3  LYS  18           HG1      LYS  18  28.858   0.590  -2.757
  114    HD2  LYS  18           HD2      LYS  18  29.021   2.997  -3.297
  115    HD3  LYS  18           HD1      LYS  18  27.357   2.533  -2.965
  116    HE2  LYS  18           HE2      LYS  18  29.014   3.495  -0.666
  117    HE3  LYS  18           HE1      LYS  18  28.455   4.691  -1.834
  118    HZ1  LYS  18           HZ1      LYS  18  26.676   4.644  -0.451
  119    HZ2  LYS  18           HZ2      LYS  18  26.910   3.024   0.004
  120    HZ3  LYS  18           HZ3      LYS  18  26.212   3.395  -1.499
  121    H    TYR  19           HN       TYR  19  24.888   0.777  -3.328
  122    HA   TYR  19           HA       TYR  19  24.987  -1.641  -4.569
  123    HB2  TYR  19           HB2      TYR  19  24.969   1.064  -5.929
  124    HB3  TYR  19           HB1      TYR  19  24.522  -0.459  -6.697
  125    HD1  TYR  19           HD1      TYR  19  22.385  -1.462  -6.325
  126    HD2  TYR  19           HD2      TYR  19  23.633   1.906  -3.968
  127    HE1  TYR  19           HE1      TYR  19  20.090  -1.250  -5.411
  128    HE2  TYR  19           HE2      TYR  19  21.338   2.117  -3.054
  129    HH   TYR  19           HH       TYR  19  19.144   1.485  -3.435
  Start of MODEL    2
    1    H1   ARG   1           HT1      ARG   1  -3.938   2.271  -1.003
    2    H2   ARG   1           HT2      ARG   1  -4.954   2.423  -2.356
    3    H3   ARG   1           HT3      ARG   1  -3.459   1.628  -2.497
    4    HA   ARG   1           HA       ARG   1  -5.965   0.690  -1.293
    5    HB2  ARG   1           HB2      ARG   1  -3.807  -0.468  -3.074
    6    HB3  ARG   1           HB1      ARG   1  -5.132  -1.429  -2.416
    7    HG2  ARG   1           HG2      ARG   1  -6.760   0.110  -3.477
    8    HG3  ARG   1           HG1      ARG   1  -5.423   1.030  -4.167
    9    HD2  ARG   1           HD2      ARG   1  -6.257  -0.527  -5.841
   10    HD3  ARG   1           HD1      ARG   1  -4.651  -1.038  -5.329
   11    HE   ARG   1           HE       ARG   1  -6.324  -2.432  -3.682
   12   HH11  ARG   1          HH11      ARG   1  -7.141  -4.486  -4.202
   13   HH12  ARG   1          HH12      ARG   1  -7.291  -4.957  -5.862
   14   HH21  ARG   1          HH21      ARG   1  -6.052  -1.965  -7.099
   15   HH22  ARG   1          HH22      ARG   1  -6.674  -3.530  -7.502
   16    H    ALA   2           HN       ALA   2  -5.147  -1.850  -0.627
   17    HA   ALA   2           HA       ALA   2  -3.959  -1.408   1.934
   18    HB1  ALA   2           HB1      ALA   2  -4.584  -4.035   0.579
   19    HB2  ALA   2           HB2      ALA   2  -5.734  -3.108   1.542
   20    HB3  ALA   2           HB3      ALA   2  -4.295  -3.788   2.301
   21    H    ILE   3           HN       ILE   3  -2.643  -1.523  -0.966
   22    HA   ILE   3           HA       ILE   3  -0.367  -3.208  -0.491
   23    HB   ILE   3           HB       ILE   3  -1.530  -2.276  -2.750
   24   HG12  ILE   3          HG12      ILE   3   0.043  -4.157  -2.628
   25   HG13  ILE   3          HG11      ILE   3   0.473  -3.081  -3.955
   26   HG21  ILE   3          HG21      ILE   3   0.990  -0.619  -2.564
   27   HG22  ILE   3          HG22      ILE   3  -0.600   0.035  -2.173
   28   HG23  ILE   3          HG23      ILE   3  -0.269  -0.564  -3.797
   29   HD11  ILE   3          HD11      ILE   3   2.138  -1.974  -2.413
   30   HD12  ILE   3          HD12      ILE   3   2.506  -3.655  -2.790
   31   HD13  ILE   3          HD13      ILE   3   1.796  -3.240  -1.232
   32    H    GLY   4           HN       GLY   4  -1.230  -0.616   1.019
   33    HA2  GLY   4           HA2      GLY   4   0.598   1.395   0.972
   34    HA3  GLY   4           HA1      GLY   4  -0.054   0.759   2.480
   35    H    GLY   5           HN       GLY   5   2.747   1.483   0.987
   36    HA2  GLY   5           HA2      GLY   5   4.306  -0.160   2.805
   37    HA3  GLY   5           HA1      GLY   5   4.568  -0.501   1.097
   38    H    GLY   6           HN       GLY   6   5.223   1.326  -0.283
   39    HA2  GLY   6           HA2      GLY   6   6.518   3.168  -0.776
   40    HA3  GLY   6           HA1      GLY   6   6.144   3.782   0.831
   41    H    LEU   7           HN       LEU   7   8.423   2.043  -1.117
   42    HA   LEU   7           HA       LEU   7  10.100   0.916   0.802
   43    HB2  LEU   7           HB2      LEU   7  10.537   2.009  -1.959
   44    HB3  LEU   7           HB1      LEU   7  11.928   1.518  -0.995
   45    HG   LEU   7           HG       LEU   7  10.997  -0.300  -2.477
   46   HD11  LEU   7          HD11      LEU   7  11.862  -1.752  -0.986
   47   HD12  LEU   7          HD12      LEU   7  10.511  -1.515   0.121
   48   HD13  LEU   7          HD13      LEU   7  11.902  -0.436   0.186
   49   HD21  LEU   7          HD21      LEU   7   8.583   0.487  -1.996
   50   HD22  LEU   7          HD22      LEU   7   8.722  -0.424  -0.492
   51   HD23  LEU   7          HD23      LEU   7   8.870  -1.252  -2.042
   52    H    SER   8           HN       SER   8   9.269   4.135   0.458
   53    HA   SER   8           HA       SER   8  11.791   5.300   1.257
   54    HB2  SER   8           HB2      SER   8  10.342   6.680  -0.062
   55    HB3  SER   8           HB1      SER   8   8.986   6.403   1.027
   56    HG   SER   8           HG       SER   8  11.209   8.055   1.294
   57    H    SER   9           HN       SER   9   9.222   3.718   2.822
   58    HA   SER   9           HA       SER   9   9.678   5.041   5.399
   59    HB2  SER   9           HB2      SER   9   7.734   2.906   4.502
   60    HB3  SER   9           HB1      SER   9   7.876   3.451   6.171
   61    HG   SER   9           HG       SER   9   6.348   4.742   5.304
   62    H    VAL  10           HN       VAL  10  10.838   2.439   3.591
   63    HA   VAL  10           HA       VAL  10  11.301   0.344   5.264
   64    HB   VAL  10           HB       VAL  10  12.102   0.527   2.910
   65   HG11  VAL  10          HG11      VAL  10  13.123   2.843   3.345
   66   HG12  VAL  10          HG12      VAL  10  14.084   1.731   2.371
   67   HG13  VAL  10          HG13      VAL  10  14.482   1.985   4.070
   68   HG21  VAL  10          HG21      VAL  10  14.003  -0.891   3.230
   69   HG22  VAL  10          HG22      VAL  10  12.945  -1.185   4.609
   70   HG23  VAL  10          HG23      VAL  10  14.369  -0.161   4.793
   71    H    GLY  11           HN       GLY  11  13.101  -0.268   6.625
   72    HA2  GLY  11           HA2      GLY  11  14.833   1.798   7.690
   73    HA3  GLY  11           HA1      GLY  11  13.594   1.242   8.811
   74    H    GLY  12           HN       GLY  12  16.560   0.467   7.199
   75    HA2  GLY  12           HA2      GLY  12  17.257  -1.517   9.120
   76    HA3  GLY  12           HA1      GLY  12  16.802  -2.268   7.594
   77    H    GLY  13           HN       GLY  13  17.911  -1.358   5.622
   78    HA2  GLY  13           HA2      GLY  13  20.335   0.096   5.823
   79    HA3  GLY  13           HA1      GLY  13  20.682  -1.631   5.814
   80    H    SER  14           HN       SER  14  18.484   0.585   4.070
   81    HA   SER  14           HA       SER  14  18.712  -0.961   1.642
   82    HB2  SER  14           HB2      SER  14  16.604   0.020   1.871
   83    HB3  SER  14           HB1      SER  14  17.269   1.546   2.445
   84    HG   SER  14           HG       SER  14  16.809   1.966   0.375
   85    H    SER  15           HN       SER  15  19.934   2.124   2.853
   86    HA   SER  15           HA       SER  15  21.430   2.540   0.371
   87    HB2  SER  15           HB2      SER  15  20.884   4.315   2.745
   88    HB3  SER  15           HB1      SER  15  22.026   4.750   1.476
   89    HG   SER  15           HG       SER  15  20.390   4.801   0.020
   90    H    THR  16           HN       THR  16  21.847   0.839   3.010
   91    HA   THR  16           HA       THR  16  24.579   1.587   3.678
   92    HB   THR  16           HB       THR  16  24.424  -0.454   5.171
   93    HG1  THR  16           HG1      THR  16  22.463  -1.038   3.638
   94   HG21  THR  16          HG21      THR  16  23.010   0.658   6.786
   95   HG22  THR  16          HG22      THR  16  22.190   1.561   5.512
   96   HG23  THR  16          HG23      THR  16  23.881   1.897   5.883
   97    H    ILE  17           HN       ILE  17  22.880  -0.916   1.881
   98    HA   ILE  17           HA       ILE  17  24.973  -2.722   1.481
   99    HB   ILE  17           HB       ILE  17  22.590  -3.109   0.846
  100   HG12  ILE  17          HG12      ILE  17  23.112  -4.279  -1.309
  101   HG13  ILE  17          HG11      ILE  17  24.667  -3.451  -1.346
  102   HG21  ILE  17          HG21      ILE  17  22.353  -0.816  -0.216
  103   HG22  ILE  17          HG22      ILE  17  21.695  -2.149  -1.164
  104   HG23  ILE  17          HG23      ILE  17  23.254  -1.446  -1.595
  105   HD11  ILE  17          HD11      ILE  17  25.526  -4.691   0.408
  106   HD12  ILE  17          HD12      ILE  17  24.425  -5.881  -0.282
  107   HD13  ILE  17          HD13      ILE  17  23.942  -4.957   1.139
  108    H    LYS  18           HN       LYS  18  24.169   0.271  -0.193
  109    HA   LYS  18           HA       LYS  18  25.250   1.433  -1.870
  110    HB2  LYS  18           HB2      LYS  18  26.728   1.671   0.193
  111    HB3  LYS  18           HB1      LYS  18  27.751   0.422  -0.514
  112    HG2  LYS  18           HG2      LYS  18  28.770   2.343  -1.348
  113    HG3  LYS  18           HG1      LYS  18  27.651   1.964  -2.656
  114    HD2  LYS  18           HD2      LYS  18  26.048   3.587  -1.839
  115    HD3  LYS  18           HD1      LYS  18  27.004   3.866  -0.384
  116    HE2  LYS  18           HE2      LYS  18  28.891   4.634  -1.877
  117    HE3  LYS  18           HE1      LYS  18  27.767   4.551  -3.233
  118    HZ1  LYS  18           HZ1      LYS  18  26.285   6.008  -1.760
  119    HZ2  LYS  18           HZ2      LYS  18  27.611   6.735  -2.533
  120    HZ3  LYS  18           HZ3      LYS  18  27.700   6.334  -0.885
  121    H    TYR  19           HN       TYR  19  24.519  -0.145  -3.485
  122    HA   TYR  19           HA       TYR  19  25.838  -2.406  -4.339
  123    HB2  TYR  19           HB2      TYR  19  25.088  -1.373  -6.731
  124    HB3  TYR  19           HB1      TYR  19  23.958  -2.126  -5.606
  125    HD1  TYR  19           HD1      TYR  19  22.195  -0.882  -4.649
  126    HD2  TYR  19           HD2      TYR  19  25.461   1.165  -6.546
  127    HE1  TYR  19           HE1      TYR  19  20.978   1.266  -4.427
  128    HE2  TYR  19           HE2      TYR  19  24.243   3.314  -6.323
  129    HH   TYR  19           HH       TYR  19  21.505   3.677  -4.344
  Start of MODEL    3
    1    H1   ARG   1           HT1      ARG   1  -6.209   2.080  -0.610
    2    H2   ARG   1           HT2      ARG   1  -4.613   1.982  -1.186
    3    H3   ARG   1           HT3      ARG   1  -4.942   1.736   0.463
    4    HA   ARG   1           HA       ARG   1  -6.532  -0.093  -0.793
    5    HB2  ARG   1           HB2      ARG   1  -3.758  -0.234  -1.989
    6    HB3  ARG   1           HB1      ARG   1  -5.169  -1.209  -2.403
    7    HG2  ARG   1           HG2      ARG   1  -6.304   0.966  -3.106
    8    HG3  ARG   1           HG1      ARG   1  -4.718   1.727  -2.972
    9    HD2  ARG   1           HD2      ARG   1  -4.962   1.075  -5.264
   10    HD3  ARG   1           HD1      ARG   1  -3.845  -0.075  -4.534
   11    HE   ARG   1           HE       ARG   1  -6.284  -1.269  -4.237
   12   HH11  ARG   1          HH11      ARG   1  -7.174  -2.663  -5.794
   13   HH12  ARG   1          HH12      ARG   1  -6.697  -2.517  -7.453
   14   HH21  ARG   1          HH21      ARG   1  -4.517   0.116  -6.870
   15   HH22  ARG   1          HH22      ARG   1  -5.193  -0.944  -8.062
   16    H    ALA   2           HN       ALA   2  -4.648  -2.261  -0.820
   17    HA   ALA   2           HA       ALA   2  -3.832  -2.266   2.012
   18    HB1  ALA   2           HB1      ALA   2  -4.346  -4.570   2.139
   19    HB2  ALA   2           HB2      ALA   2  -4.410  -4.729   0.384
   20    HB3  ALA   2           HB3      ALA   2  -5.687  -3.863   1.238
   21    H    ILE   3           HN       ILE   3  -2.640  -1.958  -0.932
   22    HA   ILE   3           HA       ILE   3  -0.330  -3.695  -0.691
   23    HB   ILE   3           HB       ILE   3  -1.490  -3.087  -2.897
   24   HG12  ILE   3          HG12      ILE   3   1.477  -2.492  -2.837
   25   HG13  ILE   3          HG11      ILE   3   0.839  -4.119  -2.595
   26   HG21  ILE   3          HG21      ILE   3   0.231  -0.612  -2.698
   27   HG22  ILE   3          HG22      ILE   3  -1.474  -0.597  -2.250
   28   HG23  ILE   3          HG23      ILE   3  -1.000  -0.993  -3.902
   29   HD11  ILE   3          HD11      ILE   3  -0.151  -4.157  -4.769
   30   HD12  ILE   3          HD12      ILE   3   1.482  -3.530  -4.992
   31   HD13  ILE   3          HD13      ILE   3   0.107  -2.426  -4.991
   32    H    GLY   4           HN       GLY   4  -1.147  -1.142   0.916
   33    HA2  GLY   4           HA2      GLY   4   0.751   0.853   0.711
   34    HA3  GLY   4           HA1      GLY   4   0.028   0.348   2.236
   35    H    GLY   5           HN       GLY   5   2.845   1.143   1.347
   36    HA2  GLY   5           HA2      GLY   5   4.231  -0.722   3.046
   37    HA3  GLY   5           HA1      GLY   5   4.683  -0.883   1.352
   38    H    GLY   6           HN       GLY   6   5.344   1.175   0.247
   39    HA2  GLY   6           HA2      GLY   6   6.517   3.176   0.152
   40    HA3  GLY   6           HA1      GLY   6   6.274   3.362   1.886
   41    H    LEU   7           HN       LEU   7   8.151   1.533  -0.512
   42    HA   LEU   7           HA       LEU   7  10.028   0.367   1.177
   43    HB2  LEU   7           HB2      LEU   7   9.770   0.905  -1.660
   44    HB3  LEU   7           HB1      LEU   7  11.439   1.126  -1.145
   45    HG   LEU   7           HG       LEU   7  10.991  -1.207  -1.845
   46   HD11  LEU   7          HD11      LEU   7  11.323  -1.497   1.098
   47   HD12  LEU   7          HD12      LEU   7  12.446  -0.403   0.291
   48   HD13  LEU   7          HD13      LEU   7  12.337  -2.086  -0.218
   49   HD21  LEU   7          HD21      LEU   7   9.290  -2.499  -0.992
   50   HD22  LEU   7          HD22      LEU   7   8.533  -0.922  -0.777
   51   HD23  LEU   7          HD23      LEU   7   9.330  -1.711   0.584
   52    H    SER   8           HN       SER   8   9.610   3.679   0.312
   53    HA   SER   8           HA       SER   8  12.295   4.514   0.934
   54    HB2  SER   8           HB2      SER   8   9.767   6.167   0.740
   55    HB3  SER   8           HB1      SER   8  11.418   6.780   0.725
   56    HG   SER   8           HG       SER   8  10.206   5.038  -1.167
   57    H    SER   9           HN       SER   9   9.264   4.191   2.673
   58    HA   SER   9           HA       SER   9  10.155   5.644   4.998
   59    HB2  SER   9           HB2      SER   9   7.845   3.720   4.635
   60    HB3  SER   9           HB1      SER   9   8.109   4.738   6.047
   61    HG   SER   9           HG       SER   9   8.286   6.343   4.015
   62    H    VAL  10           HN       VAL  10  10.746   2.600   3.696
   63    HA   VAL  10           HA       VAL  10  10.939   0.950   5.955
   64    HB   VAL  10           HB       VAL  10  11.171   0.468   3.367
   65   HG11  VAL  10          HG11      VAL  10  13.375   0.306   2.539
   66   HG12  VAL  10          HG12      VAL  10  14.085   0.445   4.147
   67   HG13  VAL  10          HG13      VAL  10  13.358   1.856   3.379
   68   HG21  VAL  10          HG21      VAL  10  12.318  -1.673   3.942
   69   HG22  VAL  10          HG22      VAL  10  11.024  -1.268   5.071
   70   HG23  VAL  10          HG23      VAL  10  12.707  -1.004   5.527
   71    H    GLY  11           HN       GLY  11  13.022   0.110   6.871
   72    HA2  GLY  11           HA2      GLY  11  15.082   2.221   7.111
   73    HA3  GLY  11           HA1      GLY  11  14.404   1.459   8.547
   74    H    GLY  12           HN       GLY  12  16.571   0.778   9.071
   75    HA2  GLY  12           HA2      GLY  12  17.975  -1.059   9.352
   76    HA3  GLY  12           HA1      GLY  12  17.171  -1.849   7.999
   77    H    GLY  13           HN       GLY  13  17.695   0.941   6.625
   78    HA2  GLY  13           HA2      GLY  13  19.576   2.011   5.633
   79    HA3  GLY  13           HA1      GLY  13  20.564   0.617   6.057
   80    H    SER  14           HN       SER  14  18.783   2.135   3.609
   81    HA   SER  14           HA       SER  14  18.470  -0.291   1.999
   82    HB2  SER  14           HB2      SER  14  16.652   1.394   2.034
   83    HB3  SER  14           HB1      SER  14  17.762   2.578   1.349
   84    HG   SER  14           HG       SER  14  16.829   1.726  -0.403
   85    H    SER  15           HN       SER  15  19.843   2.954   1.477
   86    HA   SER  15           HA       SER  15  21.469   2.041  -0.697
   87    HB2  SER  15           HB2      SER  15  21.563   4.657   0.811
   88    HB3  SER  15           HB1      SER  15  22.371   4.326  -0.719
   89    HG   SER  15           HG       SER  15  20.549   4.966  -1.552
   90    H    THR  16           HN       THR  16  21.703   1.429   2.398
   91    HA   THR  16           HA       THR  16  24.437   2.000   3.009
   92    HB   THR  16           HB       THR  16  24.023   0.175   4.791
   93    HG1  THR  16           HG1      THR  16  22.324  -0.917   4.025
   94   HG21  THR  16          HG21      THR  16  22.233   2.617   4.647
   95   HG22  THR  16          HG22      THR  16  23.890   2.586   5.249
   96   HG23  THR  16          HG23      THR  16  22.621   1.721   6.115
   97    H    ILE  17           HN       ILE  17  23.012  -0.162   0.883
   98    HA   ILE  17           HA       ILE  17  24.896  -2.334   1.189
   99    HB   ILE  17           HB       ILE  17  22.493  -2.506   0.305
  100   HG12  ILE  17          HG12      ILE  17  23.371  -4.112  -1.621
  101   HG13  ILE  17          HG11      ILE  17  24.944  -3.744  -0.917
  102   HG21  ILE  17          HG21      ILE  17  22.075  -1.968  -1.973
  103   HG22  ILE  17          HG22      ILE  17  23.787  -1.711  -2.308
  104   HG23  ILE  17          HG23      ILE  17  22.900  -0.556  -1.313
  105   HD11  ILE  17          HD11      ILE  17  24.263  -5.652   0.278
  106   HD12  ILE  17          HD12      ILE  17  22.585  -5.117   0.355
  107   HD13  ILE  17          HD13      ILE  17  23.806  -4.333   1.355
  108    H    LYS  18           HN       LYS  18  24.831   0.697  -0.409
  109    HA   LYS  18           HA       LYS  18  26.182   1.674  -2.003
  110    HB2  LYS  18           HB2      LYS  18  27.805   0.345   0.004
  111    HB3  LYS  18           HB1      LYS  18  28.654   0.395  -1.539
  112    HG2  LYS  18           HG2      LYS  18  29.216   2.422  -0.395
  113    HG3  LYS  18           HG1      LYS  18  28.062   2.872  -1.650
  114    HD2  LYS  18           HD2      LYS  18  26.236   2.859  -0.014
  115    HD3  LYS  18           HD1      LYS  18  27.348   2.327   1.248
  116    HE2  LYS  18           HE2      LYS  18  27.086   4.715   1.479
  117    HE3  LYS  18           HE1      LYS  18  28.696   4.420   0.823
  118    HZ1  LYS  18           HZ1      LYS  18  26.434   4.847  -1.005
  119    HZ2  LYS  18           HZ2      LYS  18  28.088   5.146  -1.252
  120    HZ3  LYS  18           HZ3      LYS  18  27.172   6.183  -0.266
  121    H    TYR  19           HN       TYR  19  25.278   0.844  -3.894
  122    HA   TYR  19           HA       TYR  19  25.798  -1.709  -4.971
  123    HB2  TYR  19           HB2      TYR  19  25.239   0.770  -6.600
  124    HB3  TYR  19           HB1      TYR  19  24.812  -0.900  -6.977
  125    HD1  TYR  19           HD1      TYR  19  23.109  -2.098  -5.546
  126    HD2  TYR  19           HD2      TYR  19  23.836   2.124  -5.231
  127    HE1  TYR  19           HE1      TYR  19  20.948  -1.813  -4.364
  128    HE2  TYR  19           HE2      TYR  19  21.674   2.408  -4.049
  129    HH   TYR  19           HH       TYR  19  20.091   1.129  -2.783
  Start of MODEL    4
    1    H1   ARG   1           HT1      ARG   1  -1.580   1.906  -1.688
    2    H2   ARG   1           HT2      ARG   1  -2.564   3.070  -2.440
    3    H3   ARG   1           HT3      ARG   1  -1.961   1.757  -3.334
    4    HA   ARG   1           HA       ARG   1  -4.365   1.933  -1.924
    5    HB2  ARG   1           HB2      ARG   1  -3.424   0.656  -4.112
    6    HB3  ARG   1           HB1      ARG   1  -3.377  -0.681  -2.965
    7    HG2  ARG   1           HG2      ARG   1  -5.751  -0.303  -2.414
    8    HG3  ARG   1           HG1      ARG   1  -5.801   1.052  -3.541
    9    HD2  ARG   1           HD2      ARG   1  -6.698  -1.069  -4.518
   10    HD3  ARG   1           HD1      ARG   1  -5.329  -0.417  -5.414
   11    HE   ARG   1           HE       ARG   1  -4.179  -2.159  -3.647
   12   HH11  ARG   1          HH11      ARG   1  -3.831  -4.352  -4.129
   13   HH12  ARG   1          HH12      ARG   1  -4.828  -5.144  -5.303
   14   HH21  ARG   1          HH21      ARG   1  -6.729  -2.325  -5.981
   15   HH22  ARG   1          HH22      ARG   1  -6.468  -3.997  -6.351
   16    H    ALA   2           HN       ALA   2  -4.577  -0.907  -1.272
   17    HA   ALA   2           HA       ALA   2  -3.714  -0.747   1.469
   18    HB1  ALA   2           HB1      ALA   2  -5.104  -2.998   0.009
   19    HB2  ALA   2           HB2      ALA   2  -5.914  -1.704   0.892
   20    HB3  ALA   2           HB3      ALA   2  -4.911  -2.868   1.757
   21    H    ILE   3           HN       ILE   3  -2.158  -1.480  -1.216
   22    HA   ILE   3           HA       ILE   3  -0.753  -3.858  -0.434
   23    HB   ILE   3           HB       ILE   3  -1.098  -3.139  -2.824
   24   HG12  ILE   3          HG12      ILE   3   1.854  -3.351  -2.229
   25   HG13  ILE   3          HG11      ILE   3   0.776  -4.711  -1.912
   26   HG21  ILE   3          HG21      ILE   3   0.229  -1.370  -3.738
   27   HG22  ILE   3          HG22      ILE   3   1.164  -1.212  -2.251
   28   HG23  ILE   3          HG23      ILE   3  -0.527  -0.713  -2.287
   29   HD11  ILE   3          HD11      ILE   3   0.079  -4.780  -4.227
   30   HD12  ILE   3          HD12      ILE   3   1.842  -4.765  -4.193
   31   HD13  ILE   3          HD13      ILE   3   0.955  -3.291  -4.583
   32    H    GLY   4           HN       GLY   4  -0.788  -1.059   0.955
   33    HA2  GLY   4           HA2      GLY   4   0.803   0.404   1.921
   34    HA3  GLY   4           HA1      GLY   4   1.124  -1.114   2.750
   35    H    GLY   5           HN       GLY   5   2.143   0.995   0.121
   36    HA2  GLY   5           HA2      GLY   5   4.591  -0.576  -0.291
   37    HA3  GLY   5           HA1      GLY   5   4.035   0.764  -1.289
   38    H    GLY   6           HN       GLY   6   5.011   2.669  -1.021
   39    HA2  GLY   6           HA2      GLY   6   6.565   4.190  -0.234
   40    HA3  GLY   6           HA1      GLY   6   5.654   4.019   1.264
   41    H    LEU   7           HN       LEU   7   8.471   2.952  -0.529
   42    HA   LEU   7           HA       LEU   7   9.429   1.184   1.533
   43    HB2  LEU   7           HB2      LEU   7  10.681   2.345  -0.957
   44    HB3  LEU   7           HB1      LEU   7  11.583   1.326   0.161
   45    HG   LEU   7           HG       LEU   7  10.586   0.051  -1.749
   46   HD11  LEU   7          HD11      LEU   7  10.111  -1.796  -0.446
   47   HD12  LEU   7          HD12      LEU   7   9.110  -0.884   0.681
   48   HD13  LEU   7          HD13      LEU   7  10.867  -0.772   0.773
   49   HD21  LEU   7          HD21      LEU   7   7.910   0.542  -0.440
   50   HD22  LEU   7          HD22      LEU   7   8.246  -0.142  -2.029
   51   HD23  LEU   7          HD23      LEU   7   8.499   1.579  -1.740
   52    H    SER   8           HN       SER   8   9.443   4.553   1.023
   53    HA   SER   8           HA       SER   8  11.876   5.304   2.226
   54    HB2  SER   8           HB2      SER   8  10.388   6.845   0.959
   55    HB3  SER   8           HB1      SER   8   9.240   6.793   2.293
   56    HG   SER   8           HG       SER   8  11.802   7.930   2.152
   57    H    SER   9           HN       SER   9   9.107   3.844   3.557
   58    HA   SER   9           HA       SER   9   9.552   4.876   6.255
   59    HB2  SER   9           HB2      SER   9   7.244   4.433   5.328
   60    HB3  SER   9           HB1      SER   9   7.631   2.715   5.366
   61    HG   SER   9           HG       SER   9   7.353   4.551   7.488
   62    H    VAL  10           HN       VAL  10  10.670   2.386   4.271
   63    HA   VAL  10           HA       VAL  10  10.971   0.167   5.860
   64    HB   VAL  10           HB       VAL  10  11.732   0.483   3.461
   65   HG11  VAL  10          HG11      VAL  10  13.876   1.402   3.014
   66   HG12  VAL  10          HG12      VAL  10  14.318   1.408   4.721
   67   HG13  VAL  10          HG13      VAL  10  13.120   2.552   4.116
   68   HG21  VAL  10          HG21      VAL  10  13.754  -0.759   5.348
   69   HG22  VAL  10          HG22      VAL  10  13.481  -1.195   3.661
   70   HG23  VAL  10          HG23      VAL  10  12.240  -1.527   4.869
   71    H    GLY  11           HN       GLY  11  12.654  -0.597   7.232
   72    HA2  GLY  11           HA2      GLY  11  14.274   1.520   8.526
   73    HA3  GLY  11           HA1      GLY  11  13.372   0.342   9.475
   74    H    GLY  12           HN       GLY  12  16.244   0.968   7.703
   75    HA2  GLY  12           HA2      GLY  12  17.785  -1.020   8.836
   76    HA3  GLY  12           HA1      GLY  12  17.130  -1.730   7.363
   77    H    GLY  13           HN       GLY  13  17.542  -0.599   5.327
   78    HA2  GLY  13           HA2      GLY  13  19.184   1.578   4.910
   79    HA3  GLY  13           HA1      GLY  13  20.276   0.210   5.106
   80    H    SER  14           HN       SER  14  18.639   1.996   2.869
   81    HA   SER  14           HA       SER  14  18.041  -0.181   1.020
   82    HB2  SER  14           HB2      SER  14  17.717   2.814   0.872
   83    HB3  SER  14           HB1      SER  14  17.404   1.754  -0.500
   84    HG   SER  14           HG       SER  14  16.221   1.520   2.074
   85    H    SER  15           HN       SER  15  19.859   2.859   0.685
   86    HA   SER  15           HA       SER  15  21.581   1.594  -1.298
   87    HB2  SER  15           HB2      SER  15  22.458   3.899  -1.642
   88    HB3  SER  15           HB1      SER  15  20.715   3.789  -1.869
   89    HG   SER  15           HG       SER  15  21.883   4.446   0.622
   90    H    THR  16           HN       THR  16  21.536   1.656   1.869
   91    HA   THR  16           HA       THR  16  24.024   2.547   2.771
   92    HB   THR  16           HB       THR  16  23.733   0.833   4.590
   93    HG1  THR  16           HG1      THR  16  22.590  -0.807   3.969
   94   HG21  THR  16          HG21      THR  16  21.210   2.383   3.959
   95   HG22  THR  16          HG22      THR  16  22.677   3.125   4.599
   96   HG23  THR  16          HG23      THR  16  21.809   1.922   5.552
   97    H    ILE  17           HN       ILE  17  23.227  -0.129   0.769
   98    HA   ILE  17           HA       ILE  17  25.733  -1.537   1.294
   99    HB   ILE  17           HB       ILE  17  23.504  -2.698   0.852
  100   HG12  ILE  17          HG12      ILE  17  24.693  -4.291  -0.900
  101   HG13  ILE  17          HG11      ILE  17  26.088  -3.261  -0.584
  102   HG21  ILE  17          HG21      ILE  17  24.140  -2.071  -2.036
  103   HG22  ILE  17          HG22      ILE  17  22.992  -1.117  -1.097
  104   HG23  ILE  17          HG23      ILE  17  22.690  -2.831  -1.380
  105   HD11  ILE  17          HD11      ILE  17  24.475  -4.656   1.573
  106   HD12  ILE  17          HD12      ILE  17  25.973  -3.752   1.797
  107   HD13  ILE  17          HD13      ILE  17  25.986  -5.273   0.907
  108    H    LYS  18           HN       LYS  18  24.359   0.704  -0.974
  109    HA   LYS  18           HA       LYS  18  25.199   1.738  -2.847
  110    HB2  LYS  18           HB2      LYS  18  27.730   1.071  -1.338
  111    HB3  LYS  18           HB1      LYS  18  27.744   1.984  -2.846
  112    HG2  LYS  18           HG2      LYS  18  27.606   3.729  -1.324
  113    HG3  LYS  18           HG1      LYS  18  25.892   3.434  -1.600
  114    HD2  LYS  18           HD2      LYS  18  25.939   3.416   0.720
  115    HD3  LYS  18           HD1      LYS  18  26.208   1.705   0.396
  116    HE2  LYS  18           HE2      LYS  18  27.897   2.270   1.955
  117    HE3  LYS  18           HE1      LYS  18  28.723   2.290   0.397
  118    HZ1  LYS  18           HZ1      LYS  18  27.541   4.702   1.652
  119    HZ2  LYS  18           HZ2      LYS  18  28.567   4.638   0.299
  120    HZ3  LYS  18           HZ3      LYS  18  29.165   4.253   1.842
  121    H    TYR  19           HN       TYR  19  24.285  -0.520  -3.659
  122    HA   TYR  19           HA       TYR  19  25.865  -2.583  -4.565
  123    HB2  TYR  19           HB2      TYR  19  24.107  -2.290  -6.655
  124    HB3  TYR  19           HB1      TYR  19  23.724  -3.090  -5.131
  125    HD1  TYR  19           HD1      TYR  19  22.225  -2.114  -3.548
  126    HD2  TYR  19           HD2      TYR  19  23.536   0.143  -6.959
  127    HE1  TYR  19           HE1      TYR  19  20.526  -0.378  -3.052
  128    HE2  TYR  19           HE2      TYR  19  21.836   1.879  -6.464
  129    HH   TYR  19           HH       TYR  19  20.457   2.670  -4.772
  Start of MODEL    5
    1    H1   ARG   1           HT1      ARG   1  -5.214   2.850  -1.806
    2    H2   ARG   1           HT2      ARG   1  -3.593   2.450  -1.491
    3    H3   ARG   1           HT3      ARG   1  -4.723   2.489  -0.224
    4    HA   ARG   1           HA       ARG   1  -5.953   0.704  -1.613
    5    HB2  ARG   1           HB2      ARG   1  -3.119   0.685  -2.665
    6    HB3  ARG   1           HB1      ARG   1  -4.152  -0.743  -2.729
    7    HG2  ARG   1           HG2      ARG   1  -5.852   0.556  -3.980
    8    HG3  ARG   1           HG1      ARG   1  -4.785   1.960  -3.949
    9    HD2  ARG   1           HD2      ARG   1  -4.566   0.760  -6.084
   10    HD3  ARG   1           HD1      ARG   1  -3.063   0.678  -5.169
   11    HE   ARG   1           HE       ARG   1  -4.396  -1.593  -4.432
   12   HH11  ARG   1          HH11      ARG   1  -4.178  -3.566  -5.540
   13   HH12  ARG   1          HH12      ARG   1  -3.715  -3.568  -7.209
   14   HH21  ARG   1          HH21      ARG   1  -3.496  -0.115  -7.428
   15   HH22  ARG   1          HH22      ARG   1  -3.329  -1.614  -8.278
   16    H    ALA   2           HN       ALA   2  -5.592  -1.531  -0.831
   17    HA   ALA   2           HA       ALA   2  -4.683  -1.501   1.878
   18    HB1  ALA   2           HB1      ALA   2  -5.523  -3.878   0.214
   19    HB2  ALA   2           HB2      ALA   2  -6.639  -2.844   1.106
   20    HB3  ALA   2           HB3      ALA   2  -5.440  -3.804   1.974
   21    H    ILE   3           HN       ILE   3  -3.047  -1.598  -0.854
   22    HA   ILE   3           HA       ILE   3  -1.050  -3.571  -0.046
   23    HB   ILE   3           HB       ILE   3  -2.020  -2.956  -2.501
   24   HG12  ILE   3          HG12      ILE   3  -0.657  -4.923  -1.949
   25   HG13  ILE   3          HG11      ILE   3  -0.063  -4.155  -3.419
   26   HG21  ILE   3          HG21      ILE   3  -0.543  -1.587  -3.752
   27   HG22  ILE   3          HG22      ILE   3   0.648  -1.539  -2.456
   28   HG23  ILE   3          HG23      ILE   3  -0.879  -0.676  -2.281
   29   HD11  ILE   3          HD11      ILE   3   1.852  -4.688  -2.057
   30   HD12  ILE   3          HD12      ILE   3   1.121  -3.944  -0.638
   31   HD13  ILE   3          HD13      ILE   3   1.637  -2.941  -1.994
   32    H    GLY   4           HN       GLY   4  -1.726  -0.676   0.919
   33    HA2  GLY   4           HA2      GLY   4   0.292   1.121   0.630
   34    HA3  GLY   4           HA1      GLY   4  -0.490   0.834   2.182
   35    H    GLY   5           HN       GLY   5   2.400   0.626   0.431
   36    HA2  GLY   5           HA2      GLY   5   3.663  -0.983   2.580
   37    HA3  GLY   5           HA1      GLY   5   4.168  -1.072   0.896
   38    H    GLY   6           HN       GLY   6   4.515   1.341  -0.002
   39    HA2  GLY   6           HA2      GLY   6   5.944   3.144  -0.016
   40    HA3  GLY   6           HA1      GLY   6   5.504   3.353   1.676
   41    H    LEU   7           HN       LEU   7   7.876   2.158  -0.541
   42    HA   LEU   7           HA       LEU   7   9.479   0.736   1.353
   43    HB2  LEU   7           HB2      LEU   7   9.816   1.708  -1.455
   44    HB3  LEU   7           HB1      LEU   7  11.267   1.292  -0.549
   45    HG   LEU   7           HG       LEU   7  10.177  -0.574  -1.946
   46   HD11  LEU   7          HD11      LEU   7  11.786  -1.422  -0.541
   47   HD12  LEU   7          HD12      LEU   7  10.371  -2.168   0.196
   48   HD13  LEU   7          HD13      LEU   7  11.068  -0.711   0.902
   49   HD21  LEU   7          HD21      LEU   7   8.333  -0.899   0.415
   50   HD22  LEU   7          HD22      LEU   7   8.212  -1.601  -1.196
   51   HD23  LEU   7          HD23      LEU   7   7.849   0.105  -0.952
   52    H    SER   8           HN       SER   8   8.956   4.045   0.711
   53    HA   SER   8           HA       SER   8  11.500   5.083   1.435
   54    HB2  SER   8           HB2      SER   8  10.052   7.175   1.939
   55    HB3  SER   8           HB1      SER   8  10.127   6.589   0.281
   56    HG   SER   8           HG       SER   8   8.061   6.430   2.168
   57    H    SER   9           HN       SER   9   9.122   3.512   3.238
   58    HA   SER   9           HA       SER   9   9.729   4.894   5.746
   59    HB2  SER   9           HB2      SER   9   7.897   2.563   5.137
   60    HB3  SER   9           HB1      SER   9   8.066   3.332   6.713
   61    HG   SER   9           HG       SER   9   7.070   4.411   4.294
   62    H    VAL  10           HN       VAL  10  10.900   2.316   3.898
   63    HA   VAL  10           HA       VAL  10  11.617   0.317   5.617
   64    HB   VAL  10           HB       VAL  10  12.159   0.545   3.135
   65   HG11  VAL  10          HG11      VAL  10  13.389   2.768   3.564
   66   HG12  VAL  10          HG12      VAL  10  14.171   1.619   2.478
   67   HG13  VAL  10          HG13      VAL  10  14.727   1.776   4.143
   68   HG21  VAL  10          HG21      VAL  10  12.942  -1.320   4.609
   69   HG22  VAL  10          HG22      VAL  10  14.400  -0.389   4.955
   70   HG23  VAL  10          HG23      VAL  10  14.079  -0.948   3.313
   71    H    GLY  11           HN       GLY  11  12.786   0.157   7.420
   72    HA2  GLY  11           HA2      GLY  11  14.587   2.400   8.140
   73    HA3  GLY  11           HA1      GLY  11  13.684   1.439   9.307
   74    H    GLY  12           HN       GLY  12  15.198  -0.061   6.551
   75    HA2  GLY  12           HA2      GLY  12  16.953  -1.572   8.353
   76    HA3  GLY  12           HA1      GLY  12  16.573  -1.980   6.683
   77    H    GLY  13           HN       GLY  13  17.709  -0.984   4.994
   78    HA2  GLY  13           HA2      GLY  13  19.518   1.130   5.187
   79    HA3  GLY  13           HA1      GLY  13  20.419  -0.344   5.531
   80    H    SER  14           HN       SER  14  18.683   1.468   3.107
   81    HA   SER  14           HA       SER  14  19.040  -0.535   1.041
   82    HB2  SER  14           HB2      SER  14  17.940   1.037  -0.412
   83    HB3  SER  14           HB1      SER  14  17.077   1.028   1.123
   84    HG   SER  14           HG       SER  14  17.451   3.095   1.093
   85    H    SER  15           HN       SER  15  20.105   2.848   1.363
   86    HA   SER  15           HA       SER  15  22.170   2.500  -0.592
   87    HB2  SER  15           HB2      SER  15  22.747   4.814  -0.129
   88    HB3  SER  15           HB1      SER  15  20.996   4.667  -0.248
   89    HG   SER  15           HG       SER  15  21.402   4.212   2.215
   90    H    THR  16           HN       THR  16  21.949   1.347   2.347
   91    HA   THR  16           HA       THR  16  24.397   2.037   3.607
   92    HB   THR  16           HB       THR  16  22.881  -0.557   3.930
   93    HG1  THR  16           HG1      THR  16  22.341   2.058   4.724
   94   HG21  THR  16          HG21      THR  16  23.791  -0.367   6.249
   95   HG22  THR  16          HG22      THR  16  24.702   1.054   5.737
   96   HG23  THR  16          HG23      THR  16  25.053  -0.521   5.026
   97    H    ILE  17           HN       ILE  17  23.458  -0.613   1.455
   98    HA   ILE  17           HA       ILE  17  26.108  -1.780   1.488
   99    HB   ILE  17           HB       ILE  17  24.207  -3.259   1.225
  100   HG12  ILE  17          HG12      ILE  17  25.531  -3.068  -1.490
  101   HG13  ILE  17          HG11      ILE  17  26.394  -3.649  -0.065
  102   HG21  ILE  17          HG21      ILE  17  23.613  -1.625  -1.262
  103   HG22  ILE  17          HG22      ILE  17  22.646  -1.656   0.213
  104   HG23  ILE  17          HG23      ILE  17  22.768  -3.101  -0.792
  105   HD11  ILE  17          HD11      ILE  17  23.750  -4.815  -0.962
  106   HD12  ILE  17          HD12      ILE  17  24.879  -5.482   0.218
  107   HD13  ILE  17          HD13      ILE  17  25.305  -5.455  -1.493
  108    H    LYS  18           HN       LYS  18  24.398   0.593  -0.349
  109    HA   LYS  18           HA       LYS  18  24.891   1.720  -2.305
  110    HB2  LYS  18           HB2      LYS  18  26.672   2.389  -0.525
  111    HB3  LYS  18           HB1      LYS  18  27.777   1.431  -1.508
  112    HG2  LYS  18           HG2      LYS  18  28.037   3.495  -2.532
  113    HG3  LYS  18           HG1      LYS  18  26.707   2.851  -3.490
  114    HD2  LYS  18           HD2      LYS  18  26.080   5.081  -2.854
  115    HD3  LYS  18           HD1      LYS  18  25.119   3.983  -1.865
  116    HE2  LYS  18           HE2      LYS  18  26.226   4.546   0.078
  117    HE3  LYS  18           HE1      LYS  18  27.754   4.845  -0.751
  118    HZ1  LYS  18           HZ1      LYS  18  25.370   6.603  -0.670
  119    HZ2  LYS  18           HZ2      LYS  18  26.677   6.854  -1.726
  120    HZ3  LYS  18           HZ3      LYS  18  26.913   6.923  -0.045
  121    H    TYR  19           HN       TYR  19  24.743  -1.158  -2.589
  122    HA   TYR  19           HA       TYR  19  25.343  -2.864  -4.022
  123    HB2  TYR  19           HB2      TYR  19  25.988  -0.626  -5.941
  124    HB3  TYR  19           HB1      TYR  19  25.362  -2.233  -6.312
  125    HD1  TYR  19           HD1      TYR  19  23.068  -2.861  -5.205
  126    HD2  TYR  19           HD2      TYR  19  24.489   1.162  -5.704
  127    HE1  TYR  19           HE1      TYR  19  20.747  -2.014  -4.987
  128    HE2  TYR  19           HE2      TYR  19  22.168   2.009  -5.488
  129    HH   TYR  19           HH       TYR  19  19.881   0.785  -4.189
  Start of MODEL    6
    1    H1   ARG   1           HT1      ARG   1  -6.639   0.487   0.332
    2    H2   ARG   1           HT2      ARG   1  -6.310   1.661  -0.853
    3    H3   ARG   1           HT3      ARG   1  -5.180   1.352   0.379
    4    HA   ARG   1           HA       ARG   1  -6.013  -0.676  -1.614
    5    HB2  ARG   1           HB2      ARG   1  -3.817   1.388  -1.646
    6    HB3  ARG   1           HB1      ARG   1  -3.608  -0.147  -2.485
    7    HG2  ARG   1           HG2      ARG   1  -6.198   1.205  -2.995
    8    HG3  ARG   1           HG1      ARG   1  -4.784   2.061  -3.605
    9    HD2  ARG   1           HD2      ARG   1  -5.584   0.564  -5.337
   10    HD3  ARG   1           HD1      ARG   1  -4.049  -0.051  -4.731
   11    HE   ARG   1           HE       ARG   1  -5.916  -1.350  -3.213
   12   HH11  ARG   1          HH11      ARG   1  -6.830  -3.340  -3.813
   13   HH12  ARG   1          HH12      ARG   1  -6.890  -3.791  -5.484
   14   HH21  ARG   1          HH21      ARG   1  -5.367  -0.883  -6.599
   15   HH22  ARG   1          HH22      ARG   1  -6.064  -2.400  -7.060
   16    H    ALA   2           HN       ALA   2  -5.146  -2.648  -1.206
   17    HA   ALA   2           HA       ALA   2  -3.971  -3.142   1.335
   18    HB1  ALA   2           HB1      ALA   2  -3.963  -5.089  -0.959
   19    HB2  ALA   2           HB2      ALA   2  -5.433  -4.737  -0.050
   20    HB3  ALA   2           HB3      ALA   2  -4.036  -5.437   0.768
   21    H    ILE   3           HN       ILE   3  -2.703  -1.792  -1.256
   22    HA   ILE   3           HA       ILE   3  -0.182  -3.112  -1.487
   23    HB   ILE   3           HB       ILE   3  -1.343  -1.559  -3.205
   24   HG12  ILE   3          HG12      ILE   3   1.597  -1.113  -2.593
   25   HG13  ILE   3          HG11      ILE   3   0.955  -2.528  -3.429
   26   HG21  ILE   3          HG21      ILE   3  -0.939   0.773  -3.031
   27   HG22  ILE   3          HG22      ILE   3   0.215   0.558  -1.715
   28   HG23  ILE   3          HG23      ILE   3  -1.506   0.296  -1.431
   29   HD11  ILE   3          HD11      ILE   3   0.931   0.350  -4.349
   30   HD12  ILE   3          HD12      ILE   3  -0.115  -0.872  -5.073
   31   HD13  ILE   3          HD13      ILE   3   1.638  -1.047  -5.161
   32    H    GLY   4           HN       GLY   4  -1.388  -1.768   1.057
   33    HA2  GLY   4           HA2      GLY   4   0.109   0.235   2.113
   34    HA3  GLY   4           HA1      GLY   4  -0.400  -1.153   3.069
   35    H    GLY   5           HN       GLY   5   2.237   0.558   1.877
   36    HA2  GLY   5           HA2      GLY   5   4.130  -1.172   3.138
   37    HA3  GLY   5           HA1      GLY   5   4.226  -1.294   1.384
   38    H    GLY   6           HN       GLY   6   4.924   0.488   0.169
   39    HA2  GLY   6           HA2      GLY   6   5.892   2.562  -0.236
   40    HA3  GLY   6           HA1      GLY   6   5.611   2.988   1.449
   41    H    LEU   7           HN       LEU   7   7.858   1.699  -0.841
   42    HA   LEU   7           HA       LEU   7   9.768   0.565   0.890
   43    HB2  LEU   7           HB2      LEU   7   9.882   1.768  -1.861
   44    HB3  LEU   7           HB1      LEU   7  11.377   1.322  -1.042
   45    HG   LEU   7           HG       LEU   7  10.452  -0.498  -2.501
   46   HD11  LEU   7          HD11      LEU   7  11.227  -2.117  -1.082
   47   HD12  LEU   7          HD12      LEU   7  10.188  -1.607   0.246
   48   HD13  LEU   7          HD13      LEU   7  11.681  -0.732  -0.092
   49   HD21  LEU   7          HD21      LEU   7   8.272  -0.694  -0.407
   50   HD22  LEU   7          HD22      LEU   7   8.407  -1.606  -1.911
   51   HD23  LEU   7          HD23      LEU   7   8.043   0.119  -1.956
   52    H    SER   8           HN       SER   8   8.772   3.790   0.509
   53    HA   SER   8           HA       SER   8  11.278   5.018   1.273
   54    HB2  SER   8           HB2      SER   8   9.421   6.087  -0.140
   55    HB3  SER   8           HB1      SER   8   8.557   6.314   1.378
   56    HG   SER   8           HG       SER   8  11.235   7.065   1.308
   57    H    SER   9           HN       SER   9   8.823   3.379   2.899
   58    HA   SER   9           HA       SER   9   9.135   4.862   5.406
   59    HB2  SER   9           HB2      SER   9   7.536   2.340   4.972
   60    HB3  SER   9           HB1      SER   9   7.343   3.547   6.241
   61    HG   SER   9           HG       SER   9   5.824   4.069   4.773
   62    H    VAL  10           HN       VAL  10  10.562   2.290   3.750
   63    HA   VAL  10           HA       VAL  10  11.199   0.388   5.631
   64    HB   VAL  10           HB       VAL  10  11.851   0.369   3.209
   65   HG11  VAL  10          HG11      VAL  10  14.236   1.999   4.099
   66   HG12  VAL  10          HG12      VAL  10  12.815   2.746   3.369
   67   HG13  VAL  10          HG13      VAL  10  13.760   1.570   2.455
   68   HG21  VAL  10          HG21      VAL  10  13.924  -0.865   3.580
   69   HG22  VAL  10          HG22      VAL  10  12.802  -1.213   4.895
   70   HG23  VAL  10          HG23      VAL  10  14.137  -0.090   5.150
   71    H    GLY  11           HN       GLY  11  12.390   0.300   7.435
   72    HA2  GLY  11           HA2      GLY  11  14.026   2.669   8.147
   73    HA3  GLY  11           HA1      GLY  11  13.168   1.667   9.314
   74    H    GLY  12           HN       GLY  12  16.073   2.123   7.576
   75    HA2  GLY  12           HA2      GLY  12  17.736   0.598   9.088
   76    HA3  GLY  12           HA1      GLY  12  17.107  -0.556   7.916
   77    H    GLY  13           HN       GLY  13  16.863   1.830   5.992
   78    HA2  GLY  13           HA2      GLY  13  18.194   3.002   4.486
   79    HA3  GLY  13           HA1      GLY  13  19.608   2.563   5.439
   80    H    SER  14           HN       SER  14  18.176   2.145   2.514
   81    HA   SER  14           HA       SER  14  19.031  -0.632   2.113
   82    HB2  SER  14           HB2      SER  14  17.768  -0.604   0.139
   83    HB3  SER  14           HB1      SER  14  16.828   0.410   1.231
   84    HG   SER  14           HG       SER  14  17.290   2.102   0.052
   85    H    SER  15           HN       SER  15  20.399   2.405   1.969
   86    HA   SER  15           HA       SER  15  22.072   1.850  -0.356
   87    HB2  SER  15           HB2      SER  15  21.250   4.103  -0.239
   88    HB3  SER  15           HB1      SER  15  21.814   4.273   1.421
   89    HG   SER  15           HG       SER  15  23.700   3.509  -0.468
   90    H    THR  16           HN       THR  16  22.158   0.882   2.681
   91    HA   THR  16           HA       THR  16  24.817   1.499   3.508
   92    HB   THR  16           HB       THR  16  24.048   0.567   5.403
   93    HG1  THR  16           HG1      THR  16  24.053  -1.633   5.541
   94   HG21  THR  16          HG21      THR  16  21.817  -0.462   5.488
   95   HG22  THR  16          HG22      THR  16  21.800  -0.578   3.727
   96   HG23  THR  16          HG23      THR  16  21.795   1.004   4.507
   97    H    ILE  17           HN       ILE  17  23.404  -1.027   1.528
   98    HA   ILE  17           HA       ILE  17  25.657  -2.750   1.467
   99    HB   ILE  17           HB       ILE  17  23.452  -3.535   0.789
  100   HG12  ILE  17          HG12      ILE  17  24.058  -4.645  -1.309
  101   HG13  ILE  17          HG11      ILE  17  25.331  -3.462  -1.598
  102   HG21  ILE  17          HG21      ILE  17  23.684  -1.780  -1.660
  103   HG22  ILE  17          HG22      ILE  17  22.832  -1.253  -0.209
  104   HG23  ILE  17          HG23      ILE  17  22.276  -2.676  -1.091
  105   HD11  ILE  17          HD11      ILE  17  25.328  -5.036   0.964
  106   HD12  ILE  17          HD12      ILE  17  26.687  -4.309   0.107
  107   HD13  ILE  17          HD13      ILE  17  25.938  -5.779  -0.515
  108    H    LYS  18           HN       LYS  18  24.940   0.251  -0.068
  109    HA   LYS  18           HA       LYS  18  26.102   1.559  -1.553
  110    HB2  LYS  18           HB2      LYS  18  27.910   0.902   0.192
  111    HB3  LYS  18           HB1      LYS  18  28.513  -0.174  -1.065
  112    HG2  LYS  18           HG2      LYS  18  29.724   1.841  -1.384
  113    HG3  LYS  18           HG1      LYS  18  28.466   1.879  -2.618
  114    HD2  LYS  18           HD2      LYS  18  27.235   3.526  -1.509
  115    HD3  LYS  18           HD1      LYS  18  27.922   3.127   0.065
  116    HE2  LYS  18           HE2      LYS  18  30.097   4.048  -0.647
  117    HE3  LYS  18           HE1      LYS  18  29.411   4.451  -2.222
  118    HZ1  LYS  18           HZ1      LYS  18  29.305   5.937   0.151
  119    HZ2  LYS  18           HZ2      LYS  18  27.720   5.477  -0.250
  120    HZ3  LYS  18           HZ3      LYS  18  28.667   6.335  -1.369
  121    H    TYR  19           HN       TYR  19  24.652  -0.625  -2.624
  122    HA   TYR  19           HA       TYR  19  24.510  -2.030  -4.461
  123    HB2  TYR  19           HB2      TYR  19  26.041   0.320  -5.604
  124    HB3  TYR  19           HB1      TYR  19  25.161  -0.881  -6.551
  125    HD1  TYR  19           HD1      TYR  19  22.722  -0.953  -6.555
  126    HD2  TYR  19           HD2      TYR  19  24.851   1.943  -4.202
  127    HE1  TYR  19           HE1      TYR  19  20.620   0.317  -6.216
  128    HE2  TYR  19           HE2      TYR  19  22.748   3.213  -3.864
  129    HH   TYR  19           HH       TYR  19  19.691   2.135  -5.354
  Start of MODEL    7
    1    H1   ARG   1           HT1      ARG   1  -5.787   2.400  -0.225
    2    H2   ARG   1           HT2      ARG   1  -5.309   2.544  -1.850
    3    H3   ARG   1           HT3      ARG   1  -4.156   2.211  -0.648
    4    HA   ARG   1           HA       ARG   1  -6.395   0.353  -0.968
    5    HB2  ARG   1           HB2      ARG   1  -5.341   0.970  -3.260
    6    HB3  ARG   1           HB1      ARG   1  -3.916   0.113  -2.672
    7    HG2  ARG   1           HG2      ARG   1  -5.310  -1.894  -2.254
    8    HG3  ARG   1           HG1      ARG   1  -6.714  -1.037  -2.891
    9    HD2  ARG   1           HD2      ARG   1  -5.467  -0.716  -5.043
   10    HD3  ARG   1           HD1      ARG   1  -4.180  -1.732  -4.398
   11    HE   ARG   1           HE       ARG   1  -6.424  -3.268  -4.114
   12   HH11  ARG   1          HH11      ARG   1  -7.154  -4.696  -5.722
   13   HH12  ARG   1          HH12      ARG   1  -6.742  -4.408  -7.380
   14   HH21  ARG   1          HH21      ARG   1  -4.927  -1.532  -6.706
   15   HH22  ARG   1          HH22      ARG   1  -5.481  -2.617  -7.937
   16    H    ALA   2           HN       ALA   2  -5.605  -1.833  -0.417
   17    HA   ALA   2           HA       ALA   2  -4.014  -1.793   1.915
   18    HB1  ALA   2           HB1      ALA   2  -4.627  -4.257   0.294
   19    HB2  ALA   2           HB2      ALA   2  -5.835  -3.479   1.317
   20    HB3  ALA   2           HB3      ALA   2  -4.366  -4.142   2.034
   21    H    ILE   3           HN       ILE   3  -3.091  -1.396  -1.110
   22    HA   ILE   3           HA       ILE   3  -0.684  -3.010  -1.088
   23    HB   ILE   3           HB       ILE   3  -2.240  -2.112  -3.116
   24   HG12  ILE   3          HG12      ILE   3  -0.543  -3.877  -3.288
   25   HG13  ILE   3          HG11      ILE   3  -0.389  -2.745  -4.628
   26   HG21  ILE   3          HG21      ILE   3   0.162  -0.283  -3.245
   27   HG22  ILE   3          HG22      ILE   3  -1.393   0.246  -2.606
   28   HG23  ILE   3          HG23      ILE   3  -1.264  -0.290  -4.279
   29   HD11  ILE   3          HD11      ILE   3   1.330  -2.865  -2.135
   30   HD12  ILE   3          HD12      ILE   3   1.408  -1.557  -3.315
   31   HD13  ILE   3          HD13      ILE   3   1.829  -3.199  -3.791
   32    H    GLY   4           HN       GLY   4  -1.507  -0.527   0.617
   33    HA2  GLY   4           HA2      GLY   4   0.444   1.474   0.244
   34    HA3  GLY   4           HA1      GLY   4  -0.408   1.153   1.751
   35    H    GLY   5           HN       GLY   5   2.523   1.679   0.902
   36    HA2  GLY   5           HA2      GLY   5   3.690  -0.037   2.910
   37    HA3  GLY   5           HA1      GLY   5   4.232  -0.407   1.275
   38    H    GLY   6           HN       GLY   6   5.276   1.297   0.046
   39    HA2  GLY   6           HA2      GLY   6   6.584   3.199  -0.223
   40    HA3  GLY   6           HA1      GLY   6   6.112   3.716   1.392
   41    H    LEU   7           HN       LEU   7   8.550   2.275  -0.505
   42    HA   LEU   7           HA       LEU   7   9.969   0.859   1.511
   43    HB2  LEU   7           HB2      LEU   7  10.778   2.032  -1.149
   44    HB3  LEU   7           HB1      LEU   7  11.922   1.182  -0.111
   45    HG   LEU   7           HG       LEU   7   9.291  -0.128  -0.732
   46   HD11  LEU   7          HD11      LEU   7   9.965   0.470  -2.943
   47   HD12  LEU   7          HD12      LEU   7  10.486  -1.200  -2.720
   48   HD13  LEU   7          HD13      LEU   7  11.658   0.113  -2.600
   49   HD21  LEU   7          HD21      LEU   7  12.128  -1.118  -0.288
   50   HD22  LEU   7          HD22      LEU   7  10.736  -2.157  -0.588
   51   HD23  LEU   7          HD23      LEU   7  10.808  -1.184   0.880
   52    H    SER   8           HN       SER   8   9.871   4.214   0.515
   53    HA   SER   8           HA       SER   8  12.236   5.159   1.668
   54    HB2  SER   8           HB2      SER   8  10.562   6.432   0.214
   55    HB3  SER   8           HB1      SER   8   9.630   6.682   1.687
   56    HG   SER   8           HG       SER   8  12.045   7.285   2.359
   57    H    SER   9           HN       SER   9   9.599   3.704   3.163
   58    HA   SER   9           HA       SER   9   9.940   5.099   5.719
   59    HB2  SER   9           HB2      SER   9   8.109   2.779   5.087
   60    HB3  SER   9           HB1      SER   9   8.013   3.879   6.459
   61    HG   SER   9           HG       SER   9   7.568   4.420   3.713
   62    H    VAL  10           HN       VAL  10  11.176   2.430   4.052
   63    HA   VAL  10           HA       VAL  10  11.539   0.388   5.804
   64    HB   VAL  10           HB       VAL  10  12.494   0.564   3.483
   65   HG11  VAL  10          HG11      VAL  10  14.577   1.661   3.121
   66   HG12  VAL  10          HG12      VAL  10  14.841   1.893   4.849
   67   HG13  VAL  10          HG13      VAL  10  13.594   2.820   4.015
   68   HG21  VAL  10          HG21      VAL  10  14.439  -0.848   3.992
   69   HG22  VAL  10          HG22      VAL  10  13.090  -1.269   5.047
   70   HG23  VAL  10          HG23      VAL  10  14.421  -0.291   5.666
   71    H    GLY  11           HN       GLY  11  12.478   0.061   7.725
   72    HA2  GLY  11           HA2      GLY  11  14.093   2.260   8.879
   73    HA3  GLY  11           HA1      GLY  11  13.100   1.147   9.811
   74    H    GLY  12           HN       GLY  12  15.532   0.688   7.257
   75    HA2  GLY  12           HA2      GLY  12  17.236  -0.794   9.138
   76    HA3  GLY  12           HA1      GLY  12  16.665  -1.635   7.699
   77    H    GLY  13           HN       GLY  13  17.664  -1.290   5.768
   78    HA2  GLY  13           HA2      GLY  13  19.295   1.009   5.228
   79    HA3  GLY  13           HA1      GLY  13  20.263  -0.417   5.593
   80    H    SER  14           HN       SER  14  18.427   1.221   3.226
   81    HA   SER  14           HA       SER  14  18.179  -1.091   1.463
   82    HB2  SER  14           HB2      SER  14  17.473   1.816   1.025
   83    HB3  SER  14           HB1      SER  14  17.097   0.495  -0.076
   84    HG   SER  14           HG       SER  14  15.462   0.021   1.145
   85    H    SER  15           HN       SER  15  19.483   2.188   1.011
   86    HA   SER  15           HA       SER  15  21.309   1.217  -1.015
   87    HB2  SER  15           HB2      SER  15  21.870   3.551  -1.372
   88    HB3  SER  15           HB1      SER  15  20.119   3.394  -1.264
   89    HG   SER  15           HG       SER  15  21.580   3.841   1.080
   90    H    THR  16           HN       THR  16  21.357   1.066   2.146
   91    HA   THR  16           HA       THR  16  23.876   2.104   2.927
   92    HB   THR  16           HB       THR  16  23.654   0.561   4.864
   93    HG1  THR  16           HG1      THR  16  22.508  -1.011   3.388
   94   HG21  THR  16          HG21      THR  16  22.506   2.748   4.850
   95   HG22  THR  16          HG22      THR  16  21.569   1.539   5.728
   96   HG23  THR  16          HG23      THR  16  21.100   2.000   4.092
   97    H    ILE  17           HN       ILE  17  23.025  -0.540   0.972
   98    HA   ILE  17           HA       ILE  17  25.315  -2.191   1.558
   99    HB   ILE  17           HB       ILE  17  23.266  -3.211   0.716
  100   HG12  ILE  17          HG12      ILE  17  24.215  -4.537  -1.110
  101   HG13  ILE  17          HG11      ILE  17  25.449  -3.312  -1.395
  102   HG21  ILE  17          HG21      ILE  17  22.514  -1.243  -0.611
  103   HG22  ILE  17          HG22      ILE  17  22.454  -2.739  -1.542
  104   HG23  ILE  17          HG23      ILE  17  23.769  -1.593  -1.799
  105   HD11  ILE  17          HD11      ILE  17  25.188  -4.521   1.343
  106   HD12  ILE  17          HD12      ILE  17  26.612  -3.839   0.556
  107   HD13  ILE  17          HD13      ILE  17  26.014  -5.425   0.074
  108    H    LYS  18           HN       LYS  18  24.642   0.530  -0.450
  109    HA   LYS  18           HA       LYS  18  25.926   1.725  -1.932
  110    HB2  LYS  18           HB2      LYS  18  27.529   1.536   0.028
  111    HB3  LYS  18           HB1      LYS  18  28.272   0.180  -0.818
  112    HG2  LYS  18           HG2      LYS  18  29.588   1.925  -1.606
  113    HG3  LYS  18           HG1      LYS  18  28.336   1.891  -2.845
  114    HD2  LYS  18           HD2      LYS  18  28.335   4.154  -2.314
  115    HD3  LYS  18           HD1      LYS  18  27.106   3.568  -1.195
  116    HE2  LYS  18           HE2      LYS  18  28.788   3.404   0.592
  117    HE3  LYS  18           HE1      LYS  18  30.041   3.946  -0.525
  118    HZ1  LYS  18           HZ1      LYS  18  27.960   5.777  -0.678
  119    HZ2  LYS  18           HZ2      LYS  18  29.507   6.015  -0.016
  120    HZ3  LYS  18           HZ3      LYS  18  28.226   5.495   0.973
  121    H    TYR  19           HN       TYR  19  24.960   0.642  -3.724
  122    HA   TYR  19           HA       TYR  19  25.588  -1.756  -4.873
  123    HB2  TYR  19           HB2      TYR  19  25.318   0.731  -6.554
  124    HB3  TYR  19           HB1      TYR  19  24.766  -0.905  -6.916
  125    HD1  TYR  19           HD1      TYR  19  23.028  -1.935  -5.248
  126    HD2  TYR  19           HD2      TYR  19  23.817   2.272  -5.618
  127    HE1  TYR  19           HE1      TYR  19  20.834  -1.432  -4.207
  128    HE2  TYR  19           HE2      TYR  19  21.622   2.774  -4.578
  129    HH   TYR  19           HH       TYR  19  19.681   0.299  -3.099
  Start of MODEL    8
    1    H1   ARG   1           HT1      ARG   1  -6.126   1.038  -0.964
    2    H2   ARG   1           HT2      ARG   1  -4.488   1.387  -0.679
    3    H3   ARG   1           HT3      ARG   1  -5.408   0.585   0.504
    4    HA   ARG   1           HA       ARG   1  -5.746  -1.236  -1.202
    5    HB2  ARG   1           HB2      ARG   1  -3.402   0.267  -2.408
    6    HB3  ARG   1           HB1      ARG   1  -3.947  -1.333  -2.911
    7    HG2  ARG   1           HG2      ARG   1  -6.257   0.313  -2.921
    8    HG3  ARG   1           HG1      ARG   1  -4.983   1.259  -3.689
    9    HD2  ARG   1           HD2      ARG   1  -6.154  -0.087  -5.366
   10    HD3  ARG   1           HD1      ARG   1  -4.493  -0.650  -5.193
   11    HE   ARG   1           HE       ARG   1  -5.888  -2.229  -3.456
   12   HH11  ARG   1          HH11      ARG   1  -6.816  -4.211  -4.060
   13   HH12  ARG   1          HH12      ARG   1  -7.255  -4.488  -5.712
   14   HH21  ARG   1          HH21      ARG   1  -6.195  -1.370  -6.795
   15   HH22  ARG   1          HH22      ARG   1  -6.904  -2.880  -7.260
   16    H    ALA   2           HN       ALA   2  -4.026  -3.004  -1.244
   17    HA   ALA   2           HA       ALA   2  -2.801  -3.116   1.344
   18    HB1  ALA   2           HB1      ALA   2  -3.836  -5.103   0.248
   19    HB2  ALA   2           HB2      ALA   2  -2.169  -5.384   0.751
   20    HB3  ALA   2           HB3      ALA   2  -2.537  -5.070  -0.945
   21    H    ILE   3           HN       ILE   3  -1.918  -1.619  -1.326
   22    HA   ILE   3           HA       ILE   3   0.890  -2.294  -1.398
   23    HB   ILE   3           HB       ILE   3  -0.570  -0.007  -2.737
   24   HG12  ILE   3          HG12      ILE   3  -1.248  -2.490  -3.245
   25   HG13  ILE   3          HG11      ILE   3  -0.943  -1.396  -4.590
   26   HG21  ILE   3          HG21      ILE   3   1.490  -0.398  -4.342
   27   HG22  ILE   3          HG22      ILE   3   2.225  -1.099  -2.900
   28   HG23  ILE   3          HG23      ILE   3   1.680   0.578  -2.887
   29   HD11  ILE   3          HD11      ILE   3   1.105  -2.382  -5.107
   30   HD12  ILE   3          HD12      ILE   3   0.177  -3.779  -4.563
   31   HD13  ILE   3          HD13      ILE   3   1.333  -3.012  -3.476
   32    H    GLY   4           HN       GLY   4  -0.776  -0.880   0.836
   33    HA2  GLY   4           HA2      GLY   4   0.535   1.609   1.310
   34    HA3  GLY   4           HA1      GLY   4  -0.401   0.692   2.488
   35    H    GLY   5           HN       GLY   5   2.746   1.480   1.335
   36    HA2  GLY   5           HA2      GLY   5   3.957   0.286   3.687
   37    HA3  GLY   5           HA1      GLY   5   4.466  -0.428   2.161
   38    H    GLY   6           HN       GLY   6   5.354   1.072   0.517
   39    HA2  GLY   6           HA2      GLY   6   6.494   3.028  -0.132
   40    HA3  GLY   6           HA1      GLY   6   6.404   3.610   1.528
   41    H    LEU   7           HN       LEU   7   8.392   2.230  -0.803
   42    HA   LEU   7           HA       LEU   7  10.142   0.652   0.756
   43    HB2  LEU   7           HB2      LEU   7  10.442   2.137  -1.846
   44    HB3  LEU   7           HB1      LEU   7  11.807   1.291  -1.121
   45    HG   LEU   7           HG       LEU   7  10.486  -0.073  -2.796
   46   HD11  LEU   7          HD11      LEU   7  10.188  -1.422  -0.138
   47   HD12  LEU   7          HD12      LEU   7  11.802  -0.920  -0.638
   48   HD13  LEU   7          HD13      LEU   7  10.877  -2.037  -1.639
   49   HD21  LEU   7          HD21      LEU   7   8.266   0.900  -1.971
   50   HD22  LEU   7          HD22      LEU   7   8.403  -0.208  -0.606
   51   HD23  LEU   7          HD23      LEU   7   8.293  -0.842  -2.247
   52    H    SER   8           HN       SER   8   9.535   3.963   0.845
   53    HA   SER   8           HA       SER   8  12.230   4.729   1.669
   54    HB2  SER   8           HB2      SER   8   9.727   6.419   1.702
   55    HB3  SER   8           HB1      SER   8  11.399   6.973   1.731
   56    HG   SER   8           HG       SER   8   9.831   6.126  -0.370
   57    H    SER   9           HN       SER   9   9.432   3.468   3.103
   58    HA   SER   9           HA       SER   9   9.737   4.751   5.682
   59    HB2  SER   9           HB2      SER   9   8.035   3.078   6.399
   60    HB3  SER   9           HB1      SER   9   7.524   4.015   4.998
   61    HG   SER   9           HG       SER   9   8.126   2.279   3.688
   62    H    VAL  10           HN       VAL  10  10.938   1.976   4.032
   63    HA   VAL  10           HA       VAL  10  11.592   0.225   6.054
   64    HB   VAL  10           HB       VAL  10  11.969   0.086   3.487
   65   HG11  VAL  10          HG11      VAL  10  14.126   0.673   2.675
   66   HG12  VAL  10          HG12      VAL  10  14.744   0.970   4.299
   67   HG13  VAL  10          HG13      VAL  10  13.578   2.082   3.582
   68   HG21  VAL  10          HG21      VAL  10  13.794  -1.598   3.870
   69   HG22  VAL  10          HG22      VAL  10  12.422  -1.770   4.965
   70   HG23  VAL  10          HG23      VAL  10  13.912  -1.015   5.530
   71    H    GLY  11           HN       GLY  11  12.848   0.324   7.798
   72    HA2  GLY  11           HA2      GLY  11  14.625   2.636   8.147
   73    HA3  GLY  11           HA1      GLY  11  14.063   1.554   9.418
   74    H    GLY  12           HN       GLY  12  14.747  -0.698   7.391
   75    HA2  GLY  12           HA2      GLY  12  17.032  -1.694   8.512
   76    HA3  GLY  12           HA1      GLY  12  16.558  -2.033   6.850
   77    H    GLY  13           HN       GLY  13  17.142  -0.280   5.243
   78    HA2  GLY  13           HA2      GLY  13  18.921   1.749   5.483
   79    HA3  GLY  13           HA1      GLY  13  19.958   0.326   5.536
   80    H    SER  14           HN       SER  14  18.930   2.617   3.509
   81    HA   SER  14           HA       SER  14  18.427   0.907   1.186
   82    HB2  SER  14           HB2      SER  14  18.112   3.100   0.013
   83    HB3  SER  14           HB1      SER  14  17.012   2.849   1.365
   84    HG   SER  14           HG       SER  14  18.797   3.980   2.590
   85    H    SER  15           HN       SER  15  20.501   3.742   1.757
   86    HA   SER  15           HA       SER  15  22.352   2.874  -0.272
   87    HB2  SER  15           HB2      SER  15  21.801   5.291   0.166
   88    HB3  SER  15           HB1      SER  15  22.685   5.151   1.683
   89    HG   SER  15           HG       SER  15  23.647   4.827  -0.964
   90    H    THR  16           HN       THR  16  21.837   1.800   2.663
   91    HA   THR  16           HA       THR  16  24.467   1.736   3.806
   92    HB   THR  16           HB       THR  16  23.516   0.158   5.404
   93    HG1  THR  16           HG1      THR  16  22.162  -0.732   3.523
   94   HG21  THR  16          HG21      THR  16  22.982   2.622   5.535
   95   HG22  THR  16          HG22      THR  16  21.796   1.578   6.317
   96   HG23  THR  16          HG23      THR  16  21.453   2.269   4.731
   97    H    ILE  17           HN       ILE  17  22.720  -0.191   1.504
   98    HA   ILE  17           HA       ILE  17  24.530  -2.457   1.707
   99    HB   ILE  17           HB       ILE  17  22.065  -2.644   1.136
  100   HG12  ILE  17          HG12      ILE  17  22.631  -4.207  -0.924
  101   HG13  ILE  17          HG11      ILE  17  24.299  -3.822  -0.504
  102   HG21  ILE  17          HG21      ILE  17  22.931  -1.802  -1.632
  103   HG22  ILE  17          HG22      ILE  17  22.258  -0.643  -0.486
  104   HG23  ILE  17          HG23      ILE  17  21.294  -2.021  -1.014
  105   HD11  ILE  17          HD11      ILE  17  22.257  -4.921   1.452
  106   HD12  ILE  17          HD12      ILE  17  23.975  -4.666   1.758
  107   HD13  ILE  17          HD13      ILE  17  23.457  -5.900   0.612
  108    H    LYS  18           HN       LYS  18  24.086   0.392  -0.275
  109    HA   LYS  18           HA       LYS  18  25.289   1.257  -2.035
  110    HB2  LYS  18           HB2      LYS  18  26.996   1.172  -0.145
  111    HB3  LYS  18           HB1      LYS  18  27.606  -0.305  -0.890
  112    HG2  LYS  18           HG2      LYS  18  28.958   1.269  -1.936
  113    HG3  LYS  18           HG1      LYS  18  27.623   1.188  -3.083
  114    HD2  LYS  18           HD2      LYS  18  27.785   3.489  -2.790
  115    HD3  LYS  18           HD1      LYS  18  26.601   3.094  -1.546
  116    HE2  LYS  18           HE2      LYS  18  28.367   3.025   0.152
  117    HE3  LYS  18           HE1      LYS  18  29.589   3.334  -1.080
  118    HZ1  LYS  18           HZ1      LYS  18  28.233   5.409  -1.586
  119    HZ2  LYS  18           HZ2      LYS  18  29.155   5.409  -0.159
  120    HZ3  LYS  18           HZ3      LYS  18  27.477   5.147  -0.090
  121    H    TYR  19           HN       TYR  19  24.240   0.138  -3.704
  122    HA   TYR  19           HA       TYR  19  24.451  -2.409  -4.594
  123    HB2  TYR  19           HB2      TYR  19  24.752  -0.173  -6.583
  124    HB3  TYR  19           HB1      TYR  19  23.817  -1.661  -6.722
  125    HD1  TYR  19           HD1      TYR  19  21.590  -1.832  -5.833
  126    HD2  TYR  19           HD2      TYR  19  23.974   1.661  -5.081
  127    HE1  TYR  19           HE1      TYR  19  19.591  -0.656  -4.954
  128    HE2  TYR  19           HE2      TYR  19  21.975   2.836  -4.202
  129    HH   TYR  19           HH       TYR  19  19.002   2.087  -4.781
  Start of MODEL    9
    1    H1   ARG   1           HT1      ARG   1  -2.308   3.160  -1.080
    2    H2   ARG   1           HT2      ARG   1  -3.186   3.551  -2.481
    3    H3   ARG   1           HT3      ARG   1  -2.118   2.229  -2.485
    4    HA   ARG   1           HA       ARG   1  -4.806   2.458  -1.353
    5    HB2  ARG   1           HB2      ARG   1  -3.378   0.021  -2.414
    6    HB3  ARG   1           HB1      ARG   1  -5.109   0.359  -2.389
    7    HG2  ARG   1           HG2      ARG   1  -4.637   2.299  -3.964
    8    HG3  ARG   1           HG1      ARG   1  -3.003   1.654  -4.134
    9    HD2  ARG   1           HD2      ARG   1  -5.612   0.344  -4.910
   10    HD3  ARG   1           HD1      ARG   1  -4.233   0.718  -5.942
   11    HE   ARG   1           HE       ARG   1  -3.196  -1.007  -4.100
   12   HH11  ARG   1          HH11      ARG   1  -3.182  -3.261  -4.390
   13   HH12  ARG   1          HH12      ARG   1  -4.373  -4.006  -5.402
   14   HH21  ARG   1          HH21      ARG   1  -5.941  -1.020  -6.207
   15   HH22  ARG   1          HH22      ARG   1  -5.935  -2.737  -6.431
   16    H    ALA   2           HN       ALA   2  -4.762  -0.299  -0.494
   17    HA   ALA   2           HA       ALA   2  -3.496   0.082   2.115
   18    HB1  ALA   2           HB1      ALA   2  -5.591  -1.874   1.165
   19    HB2  ALA   2           HB2      ALA   2  -5.838  -0.488   2.228
   20    HB3  ALA   2           HB3      ALA   2  -4.909  -1.877   2.792
   21    H    ILE   3           HN       ILE   3  -2.667  -1.153  -0.705
   22    HA   ILE   3           HA       ILE   3  -1.597  -3.699  -0.016
   23    HB   ILE   3           HB       ILE   3  -2.115  -2.943  -2.353
   24   HG12  ILE   3          HG12      ILE   3   0.089  -4.520  -1.383
   25   HG13  ILE   3          HG11      ILE   3  -0.817  -4.719  -2.876
   26   HG21  ILE   3          HG21      ILE   3  -0.493  -1.516  -3.500
   27   HG22  ILE   3          HG22      ILE   3   0.461  -1.371  -2.024
   28   HG23  ILE   3          HG23      ILE   3  -1.155  -0.672  -2.101
   29   HD11  ILE   3          HD11      ILE   3   0.669  -3.083  -3.992
   30   HD12  ILE   3          HD12      ILE   3   1.578  -4.447  -3.345
   31   HD13  ILE   3          HD13      ILE   3   1.585  -2.903  -2.495
   32    H    GLY   4           HN       GLY   4  -0.890  -0.957   1.303
   33    HA2  GLY   4           HA2      GLY   4   0.984   0.088   2.206
   34    HA3  GLY   4           HA1      GLY   4   1.351  -1.568   2.681
   35    H    GLY   5           HN       GLY   5   3.559  -1.460   2.451
   36    HA2  GLY   5           HA2      GLY   5   5.152  -2.283   0.696
   37    HA3  GLY   5           HA1      GLY   5   4.598  -0.922  -0.274
   38    H    GLY   6           HN       GLY   6   4.908   1.262   0.701
   39    HA2  GLY   6           HA2      GLY   6   6.565   2.816   1.222
   40    HA3  GLY   6           HA1      GLY   6   6.345   2.089   2.810
   41    H    LEU   7           HN       LEU   7   8.020   1.350  -0.261
   42    HA   LEU   7           HA       LEU   7  10.015  -0.274   0.921
   43    HB2  LEU   7           HB2      LEU   7   9.804   1.182  -1.707
   44    HB3  LEU   7           HB1      LEU   7  11.267   0.303  -1.269
   45    HG   LEU   7           HG       LEU   7   9.606  -1.043  -2.614
   46   HD11  LEU   7          HD11      LEU   7   9.779  -2.360   0.068
   47   HD12  LEU   7          HD12      LEU   7  11.288  -1.900  -0.720
   48   HD13  LEU   7          HD13      LEU   7  10.172  -2.999  -1.526
   49   HD21  LEU   7          HD21      LEU   7   7.625   0.021  -1.377
   50   HD22  LEU   7          HD22      LEU   7   7.987  -1.096  -0.060
   51   HD23  LEU   7          HD23      LEU   7   7.536  -1.719  -1.647
   52    H    SER   8           HN       SER   8   9.762   3.178   0.354
   53    HA   SER   8           HA       SER   8  12.523   3.643   1.188
   54    HB2  SER   8           HB2      SER   8  11.330   4.955  -0.654
   55    HB3  SER   8           HB1      SER   8  10.418   5.735   0.636
   56    HG   SER   8           HG       SER   8  12.241   6.956   0.212
   57    H    SER   9           HN       SER   9   9.544   3.202   2.666
   58    HA   SER   9           HA       SER   9   9.980   5.056   4.869
   59    HB2  SER   9           HB2      SER   9   7.689   4.660   4.169
   60    HB3  SER   9           HB1      SER   9   7.883   2.924   4.392
   61    HG   SER   9           HG       SER   9   7.779   3.174   6.508
   62    H    VAL  10           HN       VAL  10  10.183   1.599   4.206
   63    HA   VAL  10           HA       VAL  10  10.602   0.623   6.779
   64    HB   VAL  10           HB       VAL  10  10.319  -0.996   5.105
   65   HG11  VAL  10          HG11      VAL  10  11.968  -1.076   3.135
   66   HG12  VAL  10          HG12      VAL  10  12.446   0.551   3.618
   67   HG13  VAL  10          HG13      VAL  10  10.783   0.230   3.126
   68   HG21  VAL  10          HG21      VAL  10  12.260  -1.403   6.763
   69   HG22  VAL  10          HG22      VAL  10  13.325  -1.061   5.399
   70   HG23  VAL  10          HG23      VAL  10  12.202  -2.418   5.322
   71    H    GLY  11           HN       GLY  11  12.173   0.902   8.227
   72    HA2  GLY  11           HA2      GLY  11  14.439   2.570   7.654
   73    HA3  GLY  11           HA1      GLY  11  14.091   1.770   9.182
   74    H    GLY  12           HN       GLY  12  14.421   0.251   6.013
   75    HA2  GLY  12           HA2      GLY  12  16.365  -1.625   7.082
   76    HA3  GLY  12           HA1      GLY  12  15.650  -1.659   5.473
   77    H    GLY  13           HN       GLY  13  16.379   1.318   5.290
   78    HA2  GLY  13           HA2      GLY  13  18.050   2.531   4.271
   79    HA3  GLY  13           HA1      GLY  13  19.125   1.731   5.414
   80    H    SER  14           HN       SER  14  17.583   1.401   2.246
   81    HA   SER  14           HA       SER  14  19.280  -0.826   1.485
   82    HB2  SER  14           HB2      SER  14  18.090  -0.766  -0.611
   83    HB3  SER  14           HB1      SER  14  16.917  -0.559   0.687
   84    HG   SER  14           HG       SER  14  16.707   1.533   0.179
   85    H    SER  15           HN       SER  15  19.691   2.476   1.704
   86    HA   SER  15           HA       SER  15  21.425   2.709  -0.629
   87    HB2  SER  15           HB2      SER  15  20.989   4.834   1.454
   88    HB3  SER  15           HB1      SER  15  21.464   5.035  -0.230
   89    HG   SER  15           HG       SER  15  19.368   5.387  -0.393
   90    H    THR  16           HN       THR  16  21.727   1.391   2.234
   91    HA   THR  16           HA       THR  16  24.264   2.490   3.094
   92    HB   THR  16           HB       THR  16  24.188   0.753   4.817
   93    HG1  THR  16           HG1      THR  16  22.925  -0.926   4.620
   94   HG21  THR  16          HG21      THR  16  22.137   1.463   5.923
   95   HG22  THR  16          HG22      THR  16  21.460   1.998   4.385
   96   HG23  THR  16          HG23      THR  16  22.846   2.840   5.079
   97    H    ILE  17           HN       ILE  17  23.158  -0.629   1.792
   98    HA   ILE  17           HA       ILE  17  25.558  -1.963   1.601
   99    HB   ILE  17           HB       ILE  17  23.471  -3.048   1.029
  100   HG12  ILE  17          HG12      ILE  17  24.123  -4.183  -1.042
  101   HG13  ILE  17          HG11      ILE  17  25.237  -2.877  -1.438
  102   HG21  ILE  17          HG21      ILE  17  22.238  -1.232   0.053
  103   HG22  ILE  17          HG22      ILE  17  22.385  -2.476  -1.187
  104   HG23  ILE  17          HG23      ILE  17  23.418  -1.048  -1.244
  105   HD11  ILE  17          HD11      ILE  17  25.504  -4.312   1.192
  106   HD12  ILE  17          HD12      ILE  17  26.738  -3.468   0.256
  107   HD13  ILE  17          HD13      ILE  17  26.154  -5.044  -0.274
  108    H    LYS  18           HN       LYS  18  24.505   0.812  -0.155
  109    HA   LYS  18           HA       LYS  18  25.471   2.079  -1.810
  110    HB2  LYS  18           HB2      LYS  18  27.292   1.937   0.025
  111    HB3  LYS  18           HB1      LYS  18  28.097   0.807  -1.063
  112    HG2  LYS  18           HG2      LYS  18  29.030   2.813  -1.779
  113    HG3  LYS  18           HG1      LYS  18  27.643   2.700  -2.861
  114    HD2  LYS  18           HD2      LYS  18  27.386   4.872  -2.068
  115    HD3  LYS  18           HD1      LYS  18  26.407   3.988  -0.898
  116    HE2  LYS  18           HE2      LYS  18  28.560   3.808   0.506
  117    HE3  LYS  18           HE1      LYS  18  29.216   5.047  -0.563
  118    HZ1  LYS  18           HZ1      LYS  18  26.949   5.232   1.311
  119    HZ2  LYS  18           HZ2      LYS  18  27.054   6.288  -0.016
  120    HZ3  LYS  18           HZ3      LYS  18  28.288   6.260   1.152
  121    H    TYR  19           HN       TYR  19  24.449  -0.483  -2.587
  122    HA   TYR  19           HA       TYR  19  24.612  -2.102  -4.239
  123    HB2  TYR  19           HB2      TYR  19  25.757   0.245  -5.766
  124    HB3  TYR  19           HB1      TYR  19  24.893  -1.140  -6.433
  125    HD1  TYR  19           HD1      TYR  19  22.494  -1.576  -5.419
  126    HD2  TYR  19           HD2      TYR  19  24.554   2.191  -5.267
  127    HE1  TYR  19           HE1      TYR  19  20.335  -0.410  -5.062
  128    HE2  TYR  19           HE2      TYR  19  22.394   3.357  -4.910
  129    HH   TYR  19           HH       TYR  19  19.925   2.357  -3.822
  Start of MODEL   10
    1    H1   ARG   1           HT1      ARG   1  -3.836   1.906  -2.008
    2    H2   ARG   1           HT2      ARG   1  -4.737   2.039  -0.574
    3    H3   ARG   1           HT3      ARG   1  -5.496   2.246  -2.079
    4    HA   ARG   1           HA       ARG   1  -6.114   0.109  -1.466
    5    HB2  ARG   1           HB2      ARG   1  -3.579  -0.193  -3.105
    6    HB3  ARG   1           HB1      ARG   1  -4.926  -1.330  -3.047
    7    HG2  ARG   1           HG2      ARG   1  -6.431   0.424  -3.942
    8    HG3  ARG   1           HG1      ARG   1  -5.061   1.532  -4.041
    9    HD2  ARG   1           HD2      ARG   1  -5.523   0.447  -6.222
   10    HD3  ARG   1           HD1      ARG   1  -3.925   0.033  -5.608
   11    HE   ARG   1           HE       ARG   1  -5.518  -1.985  -4.679
   12   HH11  ARG   1          HH11      ARG   1  -5.895  -3.897  -5.846
   13   HH12  ARG   1          HH12      ARG   1  -5.753  -3.894  -7.572
   14   HH21  ARG   1          HH21      ARG   1  -4.905  -0.537  -7.761
   15   HH22  ARG   1          HH22      ARG   1  -5.193  -1.991  -8.656
   16    H    ALA   2           HN       ALA   2  -5.401  -2.091  -0.739
   17    HA   ALA   2           HA       ALA   2  -3.982  -1.898   1.698
   18    HB1  ALA   2           HB1      ALA   2  -5.765  -3.568   1.309
   19    HB2  ALA   2           HB2      ALA   2  -4.266  -4.322   1.852
   20    HB3  ALA   2           HB3      ALA   2  -4.719  -4.385   0.148
   21    H    ILE   3           HN       ILE   3  -2.841  -1.756  -1.273
   22    HA   ILE   3           HA       ILE   3  -0.581  -3.492  -1.167
   23    HB   ILE   3           HB       ILE   3  -1.675  -2.444  -3.256
   24   HG12  ILE   3          HG12      ILE   3   1.342  -2.233  -3.032
   25   HG13  ILE   3          HG11      ILE   3   0.482  -3.765  -3.187
   26   HG21  ILE   3          HG21      ILE   3   0.286  -0.219  -2.684
   27   HG22  ILE   3          HG22      ILE   3  -1.412  -0.097  -2.223
   28   HG23  ILE   3          HG23      ILE   3  -0.970  -0.280  -3.921
   29   HD11  ILE   3          HD11      ILE   3   1.176  -3.079  -5.400
   30   HD12  ILE   3          HD12      ILE   3   0.489  -1.472  -5.167
   31   HD13  ILE   3          HD13      ILE   3  -0.572  -2.875  -5.293
   32    H    GLY   4           HN       GLY   4  -1.276  -1.183   0.815
   33    HA2  GLY   4           HA2      GLY   4   0.618   0.754   1.017
   34    HA3  GLY   4           HA1      GLY   4   0.016  -0.116   2.424
   35    H    GLY   5           HN       GLY   5   2.771   0.869   1.175
   36    HA2  GLY   5           HA2      GLY   5   4.319  -1.235   2.446
   37    HA3  GLY   5           HA1      GLY   5   4.583  -1.069   0.712
   38    H    GLY   6           HN       GLY   6   5.022   1.253  -0.014
   39    HA2  GLY   6           HA2      GLY   6   6.498   3.020  -0.003
   40    HA3  GLY   6           HA1      GLY   6   5.956   3.271   1.654
   41    H    LEU   7           HN       LEU   7   8.434   1.945  -0.388
   42    HA   LEU   7           HA       LEU   7   9.924   0.677   1.722
   43    HB2  LEU   7           HB2      LEU   7  11.047   1.553  -0.934
   44    HB3  LEU   7           HB1      LEU   7  11.540   0.190   0.072
   45    HG   LEU   7           HG       LEU   7   8.905   0.466  -1.404
   46   HD11  LEU   7          HD11      LEU   7  11.261  -1.412  -1.770
   47   HD12  LEU   7          HD12      LEU   7  10.815  -0.093  -2.853
   48   HD13  LEU   7          HD13      LEU   7   9.748  -1.486  -2.673
   49   HD21  LEU   7          HD21      LEU   7   8.690  -1.973  -0.605
   50   HD22  LEU   7          HD22      LEU   7   8.429  -0.718   0.606
   51   HD23  LEU   7          HD23      LEU   7   9.964  -1.584   0.551
   52    H    SER   8           HN       SER   8   9.371   3.872   0.934
   53    HA   SER   8           HA       SER   8  11.987   4.946   1.458
   54    HB2  SER   8           HB2      SER   8   9.277   6.295   1.499
   55    HB3  SER   8           HB1      SER   8  10.834   7.117   1.515
   56    HG   SER   8           HG       SER   8   9.449   6.058  -0.559
   57    H    SER   9           HN       SER   9   9.516   3.660   3.384
   58    HA   SER   9           HA       SER   9  10.221   5.222   5.761
   59    HB2  SER   9           HB2      SER   9   8.274   2.921   5.551
   60    HB3  SER   9           HB1      SER   9   8.379   4.124   6.833
   61    HG   SER   9           HG       SER   9   7.126   4.241   4.428
   62    H    VAL  10           HN       VAL  10  11.165   2.408   4.152
   63    HA   VAL  10           HA       VAL  10  11.717   0.499   6.019
   64    HB   VAL  10           HB       VAL  10  12.285   0.406   3.577
   65   HG11  VAL  10          HG11      VAL  10  14.283   1.402   2.756
   66   HG12  VAL  10          HG12      VAL  10  14.852   1.785   4.380
   67   HG13  VAL  10          HG13      VAL  10  13.492   2.671   3.690
   68   HG21  VAL  10          HG21      VAL  10  14.129  -1.099   3.881
   69   HG22  VAL  10          HG22      VAL  10  13.153  -1.207   5.346
   70   HG23  VAL  10          HG23      VAL  10  14.647  -0.268   5.348
   71    H    GLY  11           HN       GLY  11  13.681  -0.029   7.218
   72    HA2  GLY  11           HA2      GLY  11  15.473   2.160   7.916
   73    HA3  GLY  11           HA1      GLY  11  14.415   1.604   9.209
   74    H    GLY  12           HN       GLY  12  17.213   0.913   7.304
   75    HA2  GLY  12           HA2      GLY  12  18.189  -0.995   9.195
   76    HA3  GLY  12           HA1      GLY  12  17.664  -1.782   7.710
   77    H    GLY  13           HN       GLY  13  18.392  -0.006   5.775
   78    HA2  GLY  13           HA2      GLY  13  20.782   1.302   5.794
   79    HA3  GLY  13           HA1      GLY  13  21.248  -0.392   5.666
   80    H    SER  14           HN       SER  14  19.779   2.313   4.053
   81    HA   SER  14           HA       SER  14  19.068   0.793   1.681
   82    HB2  SER  14           HB2      SER  14  19.145   3.794   1.950
   83    HB3  SER  14           HB1      SER  14  18.192   2.827   0.828
   84    HG   SER  14           HG       SER  14  17.211   3.702   2.904
   85    H    SER  15           HN       SER  15  21.107   3.672   2.147
   86    HA   SER  15           HA       SER  15  22.635   3.029  -0.217
   87    HB2  SER  15           HB2      SER  15  22.731   5.294   1.761
   88    HB3  SER  15           HB1      SER  15  23.947   5.111   0.501
   89    HG   SER  15           HG       SER  15  21.788   6.355   0.181
   90    H    THR  16           HN       THR  16  22.658   1.791   2.697
   91    HA   THR  16           HA       THR  16  25.335   1.867   3.579
   92    HB   THR  16           HB       THR  16  24.712  -0.346   4.698
   93    HG1  THR  16           HG1      THR  16  23.101  -1.201   3.617
   94   HG21  THR  16          HG21      THR  16  24.486   1.861   5.790
   95   HG22  THR  16          HG22      THR  16  23.186   0.770   6.269
   96   HG23  THR  16          HG23      THR  16  22.880   2.039   5.083
   97    H    ILE  17           HN       ILE  17  23.649  -0.705   1.786
   98    HA   ILE  17           HA       ILE  17  26.104  -2.049   1.133
   99    HB   ILE  17           HB       ILE  17  23.795  -3.117   1.412
  100   HG12  ILE  17          HG12      ILE  17  24.264  -4.585  -0.761
  101   HG13  ILE  17          HG11      ILE  17  25.750  -3.639  -0.808
  102   HG21  ILE  17          HG21      ILE  17  22.220  -2.983  -0.311
  103   HG22  ILE  17          HG22      ILE  17  23.409  -2.436  -1.492
  104   HG23  ILE  17          HG23      ILE  17  22.831  -1.330  -0.246
  105   HD11  ILE  17          HD11      ILE  17  24.780  -5.504   1.354
  106   HD12  ILE  17          HD12      ILE  17  25.990  -4.268   1.695
  107   HD13  ILE  17          HD13      ILE  17  26.322  -5.520   0.499
  108    H    LYS  18           HN       LYS  18  24.295   0.530  -0.215
  109    HA   LYS  18           HA       LYS  18  24.470   1.732  -2.167
  110    HB2  LYS  18           HB2      LYS  18  26.842   1.804  -1.083
  111    HB3  LYS  18           HB1      LYS  18  27.295   0.728  -2.403
  112    HG2  LYS  18           HG2      LYS  18  27.708   2.795  -3.386
  113    HG3  LYS  18           HG1      LYS  18  26.040   2.526  -3.889
  114    HD2  LYS  18           HD2      LYS  18  25.876   4.681  -3.031
  115    HD3  LYS  18           HD1      LYS  18  25.488   3.738  -1.593
  116    HE2  LYS  18           HE2      LYS  18  27.994   3.809  -1.054
  117    HE3  LYS  18           HE1      LYS  18  28.120   5.043  -2.307
  118    HZ1  LYS  18           HZ1      LYS  18  25.957   5.727  -0.712
  119    HZ2  LYS  18           HZ2      LYS  18  27.455   6.519  -0.821
  120    HZ3  LYS  18           HZ3      LYS  18  27.213   5.311   0.348
  121    H    TYR  19           HN       TYR  19  23.505  -0.963  -2.422
  122    HA   TYR  19           HA       TYR  19  23.259  -2.690  -3.954
  123    HB2  TYR  19           HB2      TYR  19  23.290  -0.179  -5.633
  124    HB3  TYR  19           HB1      TYR  19  22.826  -1.758  -6.267
  125    HD1  TYR  19           HD1      TYR  19  20.734  -2.795  -5.661
  126    HD2  TYR  19           HD2      TYR  19  21.956   0.897  -3.836
  127    HE1  TYR  19           HE1      TYR  19  18.457  -2.505  -4.721
  128    HE2  TYR  19           HE2      TYR  19  19.680   1.187  -2.897
  129    HH   TYR  19           HH       TYR  19  17.363  -1.329  -2.888