*HEADER    TRANSPORT PROTEIN                       21-NOV-16   5WPX              
*TITLE     SOLUTION STRUCTURE OF KSTB-PCP LOADED WITH NICOTINIC ACID IN          
*TITLE    2 KOSINOSTATIN BIOSYNTHESIS                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PEPTIDYL CARRIER PROTEIN;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MICROMONOSPORA SP. TP-A0468;                    
*SOURCE   3 ORGANISM_TAXID: 1182970;                                             
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    NRPS, PCP, NICOTINIC ACID, SOLUTION STRUCTURE, TRANSPORT PROTEIN      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    B.ZHAO,W.LAN,G.TANG,C.CAO                                             
*REVDAT   1   07-FEB-18 5WPX    0                                                
# Restraints file 1: holoPCP_Hbnd.tbl
REMARK TALOS Results for holoPCP.seq


!A  8
assign (resid   8 and name hn) (resid   4 and name o) 2.0 0.4 0.5
assign (resid   8 and name  n) (resid   4 and name o) 3.0 0.8 0.5

!Q  9
assign (resid   9 and name hn) (resid   5 and name o) 2.0 0.4 0.5
assign (resid   9 and name  n) (resid   5 and name o) 3.0 0.8 0.5

!F 10
assign (resid  10 and name hn) (resid   6 and name o) 2.0 0.4 0.5
assign (resid  10 and name  n) (resid   6 and name o) 3.0 0.8 0.5

!V 11
assign (resid  11 and name hn) (resid   7 and name o) 2.0 0.4 0.5
assign (resid  11 and name  n) (resid   7 and name o) 3.0 0.8 0.5

!V 12
assign (resid  12 and name hn) (resid   8 and name o) 2.0 0.4 0.5
assign (resid  12 and name  n) (resid   8 and name o) 3.0 0.8 0.5

!E 13
assign (resid  13 and name hn) (resid   9 and name o) 2.0 0.4 0.5
assign (resid  13 and name  n) (resid   9 and name o) 3.0 0.8 0.5



!L 42
assign (resid  42 and name hn) (resid  38 and name o) 2.0 0.4 0.5
assign (resid  42 and name  n) (resid  38 and name o) 3.0 0.8 0.5

!K 43
assign (resid  43 and name hn) (resid  39 and name o) 2.0 0.4 0.5
assign (resid  43 and name  n) (resid  39 and name o) 3.0 0.8 0.5

!V 44
assign (resid  44 and name hn) (resid  40 and name o) 2.0 0.4 0.5
assign (resid  44 and name  n) (resid  40 and name o) 3.0 0.8 0.5

!I 45
assign (resid  45 and name hn) (resid  41 and name o) 2.0 0.4 0.5
assign (resid  45 and name  n) (resid  41 and name o) 3.0 0.8 0.5

!A 46
assign (resid  46 and name hn) (resid  42 and name o) 2.0 0.4 0.5
assign (resid  46 and name  n) (resid  42 and name o) 3.0 0.8 0.5

!W 47
assign (resid  47 and name hn) (resid  43 and name o) 2.0 0.4 0.5
assign (resid  47 and name  n) (resid  43 and name o) 3.0 0.8 0.5

!L 48
assign (resid  48 and name hn) (resid  44 and name o) 2.0 0.4 0.5
assign (resid  48 and name  n) (resid  44 and name o) 3.0 0.8 0.5

!E 49
assign (resid  49 and name hn) (resid  45 and name o) 2.0 0.4 0.5
assign (resid  49 and name  n) (resid  45 and name o) 3.0 0.8 0.5

!D 50
assign (resid  50 and name hn) (resid  46 and name o) 2.0 0.4 0.5
assign (resid  50 and name  n) (resid  46 and name o) 3.0 0.8 0.5

!R 51
assign (resid  51 and name hn) (resid  47 and name o) 2.0 0.4 0.5
assign (resid  51 and name  n) (resid  47 and name o) 3.0 0.8 0.5

!F 52
assign (resid  52 and name hn) (resid  48 and name o) 2.0 0.4 0.5
assign (resid  52 and name  n) (resid  48 and name o) 3.0 0.8 0.5




!D 73
assign (resid  73 and name hn) (resid  69 and name o) 2.0 0.4 0.5
assign (resid  73 and name  n) (resid  69 and name o) 3.0 0.8 0.5

!A 74
assign (resid  74 and name hn) (resid  70 and name o) 2.0 0.4 0.5
assign (resid  74 and name  n) (resid  70 and name o) 3.0 0.8 0.5

!F 75
assign (resid  75 and name hn) (resid  71 and name o) 2.0 0.4 0.5
assign (resid  75 and name  n) (resid  71 and name o) 3.0 0.8 0.5

!V 76
assign (resid  76 and name hn) (resid  72 and name o) 2.0 0.4 0.5
assign (resid  76 and name  n) (resid  72 and name o) 3.0 0.8 0.5

!V 77
assign (resid  77 and name hn) (resid  73 and name o) 2.0 0.4 0.5
assign (resid  77 and name  n) (resid  73 and name o) 3.0 0.8 0.5

!G 78
assign (resid  78 and name hn) (resid  74 and name o) 2.0 0.4 0.5
assign (resid  78 and name  n) (resid  74 and name o) 3.0 0.8 0.5

!A 79
assign (resid  79 and name hn) (resid  75 and name o) 2.0 0.4 0.5
assign (resid  79 and name  n) (resid  75 and name o) 3.0 0.8 0.5



# Restraints file 2: niacin-PCP_noe.tbl
!Met-1

!intra

assign (resid 1 and name HT#) (resid 1 and name HB#)   1.8 0.0 1.7

assign (resid 1 and name HT#) (resid 1 and name HG1)   1.8 0.0 1.7
assign (resid 1 and name HT#) (resid 1 and name HG2)   1.8 0.0 1.7

assign (resid 1 and name HA) (resid 1 and name HT#)    1.8 0.0 1.7

assign (resid 1 and name HA) (resid 1 and name HG#)    1.8 0.0 1.7      ! only HG2

assign (resid 1 and name HB#) (resid 1 and name HG1) 1.8 0.0 1.7
assign (resid 1 and name HB#) (resid 1 and name HG2) 1.8 0.0 1.7

!inter

assign (resid 1 and name HA) (resid 2 and name HN)    1.8 0.0 1.7

assign (resid 1 and name HT#) (resid 2 and name HN)    1.8 0.0 1.7

assign (resid 1 and name HB#) (resid 4 and name HB#)  1.8 0.0 1.7








!Gln-2

!intra

assign (resid 2 and name HA) (resid 2 and name HB#)   1.8 0.0 1.1

assign (resid 2 and name HA) (resid 2 and name HN)    1.8 0.0 1.7

assign (resid 2 and name HA) (resid 2 and name HG#)   1.8 0.0 1.7

assign (resid 2 and name HB#) (resid 2 and name HN)   1.8 0.0 1.7

assign (resid 2 and name HB1) (resid 2 and name HG#)  1.8 0.0 1.1
assign (resid 2 and name HB2) (resid 2 and name HG#)  1.8 0.0 1.1

assign (resid 2 and name HG#) (resid 2 and name HA)   1.8 0.0 1.7

assign (resid 2 and name HG#) (resid 2 and name HN)   1.8 0.0 3.2

assign (resid 2 and name HG#) (resid 2 and name HE22)  1.8 0.0 3.2   
!changefromA4_HA


!inter

assign (resid 2 and name HN) (resid 1 and name HG1) 1.8 0.0 3.2
assign (resid 2 and name HN) (resid 1 and name HG2) 1.8 0.0 3.2

assign (resid 2 and name HN) (resid 3 and name HN) 1.8 0.0 3.2

assign (resid 2 and name HN) (resid 3 and name HB#) 1.8 0.0 4.5   !new


assign (resid 2 and name HN) ((resid 4 and name HN) or (resid 2 and name HE2#)) 1.8 0.0 3.2


assign (resid 2 and name HB#) (resid 77 and name HG#) 1.8 0.0 1.7   ! only HG2#

assign (resid 2 and name HG#) (resid 77 and name HG1#) 1.8 0.0 3.2
assign (resid 2 and name HG#) (resid 77 and name HG2#) 1.8 0.0 1.7

assign (resid 2 and name HG#) (resid 77 and (name HG1# or name HG2#)) 1.8 0.0 3.2
!20111020






!His-3

!intra

assign (resid 3 and name HN) (resid 3 and name HB1) 1.8 0.0 3.2
assign (resid 3 and name HN) (resid 3 and name HB2) 1.8 0.0 3.2

assign (resid 3 and name HN) (resid 3 and name HA)    1.8 0.0 3.2

assign (resid 3 and name HA) (resid 3 and name HB1)   1.8 0.0 3.2
assign (resid 3 and name HA) (resid 3 and name HB2)   1.8 0.0 1.7

!inter

assign (resid 3 and name HN) (resid 2 and name HB#) 1.8 0.0 3.2

assign (resid 3 and name HN) (resid 2 and name HA) 1.8 0.0 3.2

assign (resid 3 and name HN) (resid 2 and name HG#) 1.8 0.0 3.2


assign (resid 3 and name HN) (resid 4 and name HN) 1.8 0.0 1.7


assign (resid 3 and name HB1) (resid 6 and name HG#)  1.8 0.0 4.2
assign (resid 3 and name HB2) (resid 6 and name HG#)  1.8 0.0 4.2

assign (resid 3 and name HA)  (resid 6 and name HG#)  1.8 0.0 2.5

assign (resid 3 and name HB1) (resid 7 and name HD1#)  1.8 0.0 3.5
assign (resid 3 and name HB2) (resid 7 and name HD1#)  1.8 0.0 3.2








!Ala-4

!intra

assign (resid 4 and name HN) (resid 4 and name HA) 1.8 0.0 1.7

assign (resid 4 and name HA) (resid 4 and name HB#)  1.8 0.0 1.1

assign (resid 4 and name HB#) (resid 4 and name HN)  1.8 0.0 1.7

!inter

assign (resid 4 and name HN) (resid 1 and name HB#) 1.8 0.0 3.2

assign (resid 4 and name HN) (resid 3 and name HN) 1.8 0.0 1.7

assign (resid 4 and name HN) (resid 3 and name HA) 1.8 0.0 1.7

!!assign (resid 4 and name HN) (resid 3 and name HB1) 1.8 0.0 3.2
!!assign (resid 4 and name HN) (resid 3 and name HB2) 1.8 0.0 3.2

assign (resid 4 and name HN) (resid 5 and name HN) 1.8 0.0 3.2


assign (resid 4 and name HA) (resid 1 and name HG#)  1.8 0.0 3.2

assign (resid 4 and name HA) (resid 7 and name HB)   1.8 0.0 3.2    ! double emerge

! assign (resid 4 and name HA) (resid 69 and name HD1#)  1.8 0.0 4.2  ! 1201110

assign (resid 4 and name HB#) (resid 5 and name HA)   1.8 0.0 3.2



!Ser-5

!intra

assign (resid 5 and name HN) (resid 5 and name HA) 1.8 0.0 3.2

assign (resid 5 and name HN) (resid 5 and name HB#) 1.8 0.0 3.2

!inter

assign (resid 5 and name HN) (resid 4 and name HA) 1.8 0.0 3.2

assign (resid 5 and name HN) (resid 4 and name HB#) 1.8 0.0 3.2


assign (resid 5 and name HN) (resid 6 and name HN) 1.8 0.0 3.2

assign (resid 5 and name HA) (resid 6 and name HG#) 1.8 0.0 3.2







!Val-6

!intra

assign (resid 6 and name HA) (resid 6 and name HN)  1.8 0.0 1.7

assign (resid 6 and name HA) (resid 6 and name HB)  1.8 0.0 1.1

assign (resid 6 and name HB) (resid 6 and name HN)  1.8 0.0 1.7


assign (resid 6 and name HA) (resid 6 and name HG#) 1.8 0.0 1.1

assign (resid 6 and name HG#) (resid 6 and name HN) 1.8 0.0 1.7

assign (resid 6 and name HG#) (resid 6 and name HB) 1.8 0.0 1.1


!inter

assign (resid 6 and name HN)  (resid 3 and name HA)  1.8 0.0 4.2

assign (resid 6 and name HB)  (resid 3 and name HB#) 1.8 0.0 3.2

!!assign (resid 6 and name HN)  (resid 3 and name HB1) 1.8 0.0 4.2
!!assign (resid 6 and name HN)  (resid 3 and name HB2) 1.8 0.0 4.2
! 20110919

assign (resid 6 and name HN) (resid 4 and name HN) 1.8 0.0 4.2

assign (resid 6 and name HN) (resid 4 and name HA) 1.8 0.0 4.2

assign (resid 6 and name HN) (resid 4 and name HB#) 1.8 0.0 4.2

assign (resid 6 and name HN) (resid 5 and name HA) 1.8 0.0 1.7
assign (resid 6 and name HN) (resid 5 and name HN) 1.8 0.0 1.7

assign (resid 6 and name HN)  (resid 7 and name HD1#)  1.8 0.0 3.2    

assign (resid 6 and name HN) (resid 7 and name HN)   1.8 0.0 1.7    !  double emerge 

assign (resid 6 and name HN) (resid 8 and name HN) 1.8 0.0 3.2


assign (resid 6 and name HA)  (resid 9 and name HB#) 1.8 0.0 2.5

assign (resid 6 and name HB)  (resid 7 and name HN)  1.8 0.0 3.2    

assign (resid 6 and name HG#) (resid 10 and name HZ)  1.8 0.0 4.5

assign (resid 6 and name HG#) (resid 10 and name HE#)  1.8 0.0 3.2







!Ile-7

!intra

assign (resid 7 and name HA) (resid 7 and name HN) 1.8 0.0 1.7   ! certain

assign (resid 7 and name HA) (resid 7 and name HG12) 1.8 0.0 1.7
assign (resid 7 and name HA) (resid 7 and name HG11) 1.8 0.0 1.7

assign (resid 7 and name HA) (resid 7 and name HG2#) 1.8 0.0 1.1

assign (resid 7 and name HB) (resid 7 and name HN) 1.8 0.0 1.7

assign (resid 7 and name HB) (resid 7 and name HA) 1.8 0.0 1.7


assign (resid 7 and name HB) (resid 7 and name HG11) 1.8 0.0 1.7
assign (resid 7 and name HB) (resid 7 and name HG12) 1.8 0.0 1.7

assign (resid 7 and name HB) (resid 7 and name HG2#) 1.8 0.0 1.1

assign (resid 7 and name HB) (resid 7 and name HD1#)  1.8 0.0 1.1


assign (resid 7 and name HD1#) (resid 7 and name HG11) 1.8 0.0 1.1
assign (resid 7 and name HD1#) (resid 7 and name HG12) 1.8 0.0 1.1

assign (resid 7 and name HG11) (resid 7 and name HG2#) 1.8 0.0 1.7
assign (resid 7 and name HG12) (resid 7 and name HG2#) 1.8 0.0 1.7

assign (resid 7 and name HG12) (resid 7 and name HN) 1.8 0.0 3.2
assign (resid 7 and name HG11) (resid 7 and name HN) 1.8 0.0 3.2

assign (resid 7 and name HG2#) (resid 7 and name HN) 1.8 0.0 3.2

assign (resid 7 and name HG2#) (resid 7 and name HA) 1.8 0.0 1.1

assign (resid 7 and name HG2#) (resid 7 and name HB) 1.8 0.0 1.1

assign (resid 7 and name HD1#) (resid 7 and name HN)   1.8 0.0 3.2

assign (resid 7 and name HD1#) (resid 7 and name HA)   1.8 0.0 3.2



!inter

assign (resid 7 and name HN) (resid 4 and name HA)    1.8 0.0 3.2

assign (resid 7 and name HN) (resid 5 and name HA)    1.8 0.0 3.2

assign (resid 7 and name HN) (resid 6 and name HA)    1.8 0.0 1.7

assign (resid 7 and name HN) (resid 8 and name HN)    1.8 0.0 1.7

assign (resid 7 and name HN) (resid 8 and name HB#)   1.8 0.0 4.2

assign (resid 7 and name HN) (resid 9 and name HN)    1.8 0.0 3.2

assign (resid 7 and name HN) (resid 10 and name HD#)    1.8 0.0 4.5

! assign (resid 7 and name HN) (resid 10 and name HE#)    1.8 0.0 5.2


assign (resid 7 and name HA) (resid 10 and name HB#)   1.8 0.0 4.2

assign (resid 7 and name HA) (resid 82 and name HG#)   1.8 0.0 5.2


assign (resid 7 and name HB) (resid 4 and name HA)    1.8 0.0 3.2    

assign (resid 7 and name HB) (resid 5 and name HA)    1.8 0.0 3.2 

assign (resid 7 and name HB) (resid 8 and name HB#)   1.8 0.0 3.2

assign (resid 7 and name HB) (resid 8 and name HN)    1.8 0.0 1.7



assign (resid 7 and name HG2#) (resid 8 and name HA)  1.8 0.0 1.7

assign (resid 7 and name HG2#) (resid 8 and name HB#) 1.8 0.0 3.2

! assign (resid 7 and name HG2#) (resid 69 and name HA) 1.8 0.0 3.2    ! do exit



! assign (resid 7 and name HD1#) (resid 72 and name HA) 1.8 0.0 4.2

assign (resid 7 and name HD1#) (resid 72 and name HB) 1.8 0.0 4.2

! assign (resid 7 and name HD1#) (resid 72 and name HG1#) 1.8 0.0 4.2    !HG12

assign (resid 7 and name HD1#) (resid 72 and name HD1#) 1.8 0.0 4.2

assign (resid 7 and name HD1#) (resid 73 and name HA)  1.8 0.0 3.2

assign (resid 7 and name HD1#) (resid 73 and name HB2) 1.8 0.0 3.2
assign (resid 7 and name HD1#) (resid 73 and name HB1) 1.8 0.0 3.2

assign (resid 7 and name HD1#) (resid 73 and name HN) 1.8 0.0 3.2


assign (resid 7 and name HD1#) (resid 76 and name HG2#) 1.8 0.0 4.2







!Ala-8

!intra

assign (resid 8 and name HA) (resid 8 and name HB#) 1.8 0.0 1.1

assign (resid 8 and name HB#) (resid 8 and name HN) 1.8 0.0 1.1

!inter

assign (resid 8 and name HN) (resid 4 and name HA) 1.8 0.0 3.2

assign (resid 8 and name HN) (resid 5 and name HA) 1.8 0.0 3.2

assign (resid 8 and name HN) (resid 6 and name HA) 1.8 0.0 3.2

assign (resid 8 and name HN) (resid 7 and name HA) 1.8 0.0 1.7

assign (resid 8 and name HN)  (resid 7 and name HD1#) 1.8 0.0 4.2

assign (resid 8 and name HN) (resid 9 and name HN) 1.8 0.0 1.1

assign (resid 8 and name HN) (resid 10 and name HN) 1.8 0.0 3.2


assign (resid 8 and name HA) (resid 11 and name HB) 1.8 0.0 4.2 

assign (resid 8 and name HA) (resid 21 and name HA) 1.8 0.0 5.2 

assign (resid 8 and name HA) (resid 26 and name HB) 1.8 0.0 4.2 

assign (resid 8 and name HA) (resid 26 and (name HG1# or name HG2#)) 1.8 0.0 4.5 

assign (resid 8 and name HA) (resid 69 and name HG2#) 1.8 0.0 4.2 


assign (resid 8 and name HB#) (resid 6 and name HN) 1.8 0.0 4.2

assign (resid 8 and name HB#) (resid 7 and name HD1#) 1.8 0.0 4.2

assign (resid 8 and name HB#) (resid 9 and name HG#) 1.8 0.0 4.2

assign (resid 8 and name HB#) (resid 11 and (name HG1# or name HG2#)) 1.8 0.0 4.2

assign (resid 8 and name HB#) (resid 21 and name HG1) 1.8 0.0 4.2 
assign (resid 8 and name HB#) (resid 21 and name HG2) 1.8 0.0 4.2 

assign (resid 8 and name HB#) (resid 26 and (name HG1# or name HG2#)) 1.8 0.0 4.2 

assign (resid 8 and name HB#) (resid 69 and name HD1#) 1.8 0.0 4.2








!Gln-9

!intra

assign (resid 9 and name HA) (resid 9 and name HN)   1.8 0.0 1.7

assign (resid 9 and name HA) (resid 9 and name HB#)  1.8 0.0 1.1

assign (resid 9 and name HN) (resid 9 and name HB#)  1.8 0.0 1.1

assign (resid 9 and name HG1) (resid 9 and name HA)  1.8 0.0 1.7
assign (resid 9 and name HG2) (resid 9 and name HA)  1.8 0.0 3.2

assign (resid 9 and name HG1) (resid 9 and name HB#) 1.8 0.0 1.1
assign (resid 9 and name HG2) (resid 9 and name HB#) 1.8 0.0 1.7

assign (resid 9 and name HN) (resid 9 and name HG1)  1.8 0.0 3.2
assign (resid 9 and name HN) (resid 9 and name HG2)  1.8 0.0 3.2

assign (resid 9 and name HG#) (resid 9 and name HE2#) 1.8 0.0 3.2

!inter

assign (resid 9 and name HN) (resid 5 and name HA) 1.8 0.0 3.2

assign (resid 9 and name HN) (resid 6 and name HA) 1.8 0.0 3.2

assign (resid 9 and name HN) (resid 7 and name HA) 1.8 0.0 3.2

assign (resid 9 and name HN) (resid 8 and name HA) 1.8 0.0 1.7

assign (resid 9 and name HN) (resid 8 and name HB#) 1.8 0.0 1.1

assign (resid 9 and name HN) (resid 10 and name HN) 1.8 0.0 1.1

assign (resid 9 and name HN) (resid 11 and name HG#) 1.8 0.0 3.2

assign (resid 9 and name HN) (resid 11 and name HN) 1.8 0.0 3.2


assign (resid 9 and name HA) (resid 12 and name HB) 1.8 0.0 3.2

assign (resid 9 and name HA) (resid 12 and name HG#) 1.8 0.0 1.7

assign (resid 9 and name HA) (resid 21 and name HA) 1.8 0.0 4.2

assign (resid 9 and name HA) (resid 21 and name HB#) 1.8 0.0 3.2

assign (resid 9 and name HA) (resid 21 and name HG#) 1.8 0.0 3.2


assign (resid 9 and name HB#) (resid 6 and (name HG1# or name HG2#)) 1.8 0.0 3.2

assign (resid 9 and name HB#) (resid 12 and (name HG1# or name HG2#)) 1.8 0.0 3.2

assign (resid 9 and name HB#) (resid 21 and name HA) 1.8 0.0 4.2

assign (resid 9 and name HB#) (resid 21 and name HB#) 1.8 0.0 3.2


assign (resid 9 and name HG1) (resid 6 and name HA) 1.8 0.0 3.2
assign (resid 9 and name HG2) (resid 6 and name HA) 1.8 0.0 3.2

assign (resid 9 and name HG#) (resid 21 and name HB#) 1.8 0.0 3.2


assign (resid 9 and name HE2#) (resid 6 and name HB#) 1.8 0.0 4.2

assign (resid 9 and name HE2#) (resid 10 and name HD#) 1.8 0.0 3.2

assign (resid 9 and name HE2#) (resid 11 and name HN) 1.8 0.0 3.2

assign (resid 9 and name HE2#) (resid 12 and (name HG1# or name HG2#)) 1.8 0.0 4.2

assign (resid 9 and name HE2#) (resid 13 and name HB1) 1.8 0.0 4.2
assign (resid 9 and name HE2#) (resid 13 and name HB2) 1.8 0.0 3.2





!PHE-10

!intra

assign (resid 10 and name HA) (resid 10 and name HB#) 1.8 0.0 1.1

assign (resid 10 and name HA) (resid 10 and name HN)  1.8 0.0 1.7

assign (resid 10 and name HA) (resid 10 and name HD#)  1.8 0.0 3.2

assign (resid 10 and name HN) (resid 10 and name HD#)  1.8 0.0 3.2

!inter

assign (resid 10 and name HN) (resid 6 and name HA) 1.8 0.0 4.2

assign (resid 10 and name HN) (resid 7 and name HA) 1.8 0.0 4.2

assign (resid 10 and name HN) (resid 8 and name HA) 1.8 0.0 4.2

assign (resid 10 and name HN) (resid 9 and name HA) 1.8 0.0 1.7

assign (resid 10 and name HN) (resid 9 and name HB#) 1.8 0.0 1.7

assign (resid 10 and name HN) (resid 9 and name HE2#) 1.8 0.0 3.2

assign (resid 10 and name HN) (resid 11 and name HN) 1.8 0.0 1.1

assign (resid 10 and name HN) (resid 12 and name HN) 1.8 0.0 3.2


assign (resid 10 and name HA) (resid 13 and name HB1) 1.8 0.0 3.2
assign (resid 10 and name HA) (resid 13 and name HB2) 1.8 0.0 3.2

! assign (resid 10 and name HA) (resid 15 and name HD#) 1.8 0.0 6.2

assign (resid 10 and name HA) (resid 15 and name HE#) 1.8 0.0 6.2


assign (resid 10 and name HB#) (resid 11 and (name HG1# or name HG2#)) 1.8 0.0 3.2

assign (resid 10 and name HB#) (resid 15 and name HD#) 1.8 0.0 7.2

assign (resid 10 and name HB#) (resid 15 and name HE#) 1.8 0.0 7.2





!Val-11

!intra

assign (resid 11 and name HN) (resid 11 and name HA) 1.8 0.0 1.7

assign (resid 11 and name HA) (resid 11 and name HB) 1.8 0.0 1.7

assign (resid 11 and name HA) (resid 11 and name HG#) 1.8 0.0 1.1 !1.7

assign (resid 11 and name HB) (resid 11 and name HN) 1.8 0.0 1.7

assign (resid 11 and name HB) (resid 11 and name HG#) 1.8 0.0 1.1

assign (resid 11 and name HG#) (resid 11 and name HN) 1.8 0.0 1.7

!inter

assign (resid 11 and name HN)  (resid 8 and name HA)  1.8 0.0 3.2

assign (resid 11 and name HN)  (resid 9 and name HA)  1.8 0.0 3.2

assign (resid 11 and name HN) (resid 9 and name HN) 1.8 0.0 3.2

assign (resid 11 and name HN) (resid 10 and name HA) 1.8 0.0 1.7

assign (resid 11 and name HN) (resid 10 and name HB#) 1.8 0.0 1.7

assign (resid 11 and name HN) (resid 12 and name HN) 1.8 0.0 1.7

assign (resid 11 and name HN) (resid 13 and name HN) 1.8 0.0 3.2



assign (resid 11 and name HA) (resid 10 and name HN)  1.8 0.0 4.2

assign (resid 11 and name HA) (resid 12 and name HG#) 1.8 0.0 3.2 

assign (resid 11 and name HA) (resid 14 and name HB#) 1.8 0.0 3.2


assign (resid 11 and name HB) (resid 10 and name HD#) 1.8 0.0 3.2

assign (resid 11 and name HB) (resid 10 and name HE#) 1.8 0.0 5.2


assign (resid 11 and name HG#) (resid 7 and name HA)  1.8 0.0 3.2

assign (resid 11 and name HG#) (resid 7 and name HG1#)  1.8 0.0 4.2

assign (resid 11 and name HG#) (resid 7 and name HG2#)  1.8 0.0 4.2

assign (resid 11 and name HG#) (resid 8 and name HA)  1.8 0.0 3.2

assign (resid 11 and name HG#) (resid 10 and name HA)  1.8 0.0 3.2

assign (resid 11 and name HG#) (resid 10 and name HD#) 1.8 0.0 3.2

assign (resid 11 and name HG#) (resid 10 and name HN) 1.8 0.0 3.2

assign (resid 11 and name HG#) (resid 13 and name HB#) 1.8 0.0 4.2

assign (resid 11 and name HG#) (resid 14 and name HB#) 1.8 0.0 4.2

assign (resid 11 and name HG#) (resid 12 and name HN) 1.8 0.0 3.2



!Val-12

!intra

assign (resid 12 and name HA) (resid 12 and name HN)   1.8 0.0 1.7

assign (resid 12 and name HA) (resid 12 and name HB)   1.8 0.0 1.1

assign (resid 12 and name HA) (resid 12 and name HG#)  1.8 0.0 1.1

assign (resid 12 and name HB)  (resid 12 and name HN)  1.8 0.0 1.7

assign (resid 12 and name HB)  (resid 12 and name HG#) 1.8 0.0 1.1

assign (resid 12 and name HG#) (resid 12 and name HN)  1.8 0.0 1.7




!inter

assign (resid 12 and name HN) (resid 8 and name HA) 1.8 0.0 3.2

assign (resid 12 and name HN) (resid 9 and name HA) 1.8 0.0 3.2

assign (resid 12 and name HG#) (resid 9 and name HE2#)  1.8 0.0 4.2

assign (resid 12 and name HN) (resid 10 and name HA) 1.8 0.0 3.2

assign (resid 12 and name HN) (resid 11 and name HA) 1.8 0.0 3.2


assign (resid 12 and name HA) (resid 11 and name HN)  1.8 0.0 4.2

assign (resid 12 and name HA) (resid 15 and name HN)  1.8 0.0 3.2

assign (resid 12 and name HA) (resid 16 and name HN)  1.8 0.0 3.2

assign (resid 12 and name HA) (resid 16 and name HB1) 1.8 0.0 4.2
assign (resid 12 and name HA) (resid 16 and name HB2) 1.8 0.0 3.2


assign (resid 12 and name HB) (resid 13 and name HN)  1.8 0.0 3.2

assign (resid 12 and name HB) (resid 15 and name HN)  1.8 0.0 4.2


assign (resid 12 and name HG#) (resid 11 and name HN)  1.8 0.0 3.2



assign (resid 12 and name HG#) (resid 13 and name HN)  1.8 0.0 1.7

assign (resid 12 and name HG#) (resid 13 and name HA)  1.8 0.0 1.7

assign (resid 12 and name HG#) (resid 13 and name HB1)  1.8 0.0 4.2   ! Manual Add
assign (resid 12 and name HG#) (resid 13 and name HB2)  1.8 0.0 3.2

assign (resid 12 and name HG#) (resid 16 and name HB#) 1.8 0.0 3.2

assign (resid 12 and name HG#) (resid 18 and name HA) 1.8 0.0 6.2

assign (resid 12 and name HG#) (resid 21 and name HA) 1.8 0.0 4.2

assign (resid 12 and name HG#) (resid 21 and name HB#) 1.8 0.0 4.2




!Glu-13

!intra

assign (resid 13 and name HA) (resid 13 and name HN)  1.8 0.0 1.7

assign (resid 13 and name HA) (resid 13 and name HB1) 1.8 0.0 1.1
assign (resid 13 and name HA) (resid 13 and name HB2) 1.8 0.0 1.1

assign (resid 13 and name HA) (resid 13 and name HG1)  1.8 0.0 1.7   
assign (resid 13 and name HA) (resid 13 and name HG2)  1.8 0.0 3.2

assign (resid 13 and name HB1) (resid 13 and name HG2) 1.8 0.0 1.7
assign (resid 13 and name HB2) (resid 13 and name HG2) 1.8 0.0 1.7
assign (resid 13 and name HG1) (resid 13 and name HB1) 1.8 0.0 1.1
assign (resid 13 and name HG1) (resid 13 and name HB2) 1.8 0.0 1.1

assign (resid 13 and name HB1) (resid 13 and name HN) 1.8 0.0 1.7
assign (resid 13 and name HB2) (resid 13 and name HN) 1.8 0.0 1.7

assign (resid 13 and name HG1) (resid 13 and name HN) 1.8 0.0 3.2
assign (resid 13 and name HG2) (resid 13 and name HN) 1.8 0.0 3.2


!inter

assign (resid 13 and name HN)  (resid 9 and name HA) 1.8 0.0 3.2

assign (resid 13 and name HN)  (resid 9 and name HE2#) 1.8 0.0 3.2

assign (resid 13 and name HN)  (resid 10 and name HA) 1.8 0.0 3.2

assign (resid 13 and name HN)  (resid 11 and name HA) 1.8 0.0 3.2

assign (resid 13 and name HN) (resid 12 and name HN) 1.8 0.0 1.1

assign (resid 13 and name HN)  (resid 12 and name HA) 1.8 0.0 1.7 ! ol w 12HA

assign (resid 13 and name HN)  (resid 13 and name HB#) 1.8 0.0 3.2

assign (resid 13 and name HN)  (resid 14 and name HG#) 1.8 0.0 4.5

assign (resid 13 and name HN)  (resid 15 and name HN) 1.8 0.0 3.2

assign (resid 13 and name HN)  (resid 15 and name HB#) 1.8 0.0 5.2

assign (resid 13 and name HN)  (resid 15 and name HE#) 1.8 0.0 4.2

! assign (resid 13 and name HN)  (resid 17 and name HA) 1.8 0.0 4.2


assign (resid 13 and name HA)  (resid 9 and name HE2#) 1.8 0.0 4.2

assign (resid 13 and name HA)  (resid 12 and name HG#) 1.8 0.0 3.2

! assign (resid 13 and name HA)  (resid 17 and name HA) 1.8 0.0 4.2

assign (resid 13 and name HA)  (resid 17 and name HD#) 1.8 0.0 4.2


assign (resid 13 and name HB#)  (resid 12 and name HG#) 1.8 0.0 3.2

assign (resid 13 and name HB#)  (resid 9 and name HE2#) 1.8 0.0 3.2


assign (resid 13 and name HG1) (resid 12 and name HG#) 1.8 0.0 4.2
assign (resid 13 and name HG2) (resid 12 and name HG#) 1.8 0.0 4.2







!Glu-14

!intra

assign (resid 14 and name HA) (resid 14 and name HN)   1.8 0.0 1.7

assign (resid 14 and name HA) (resid 14 and name HG1)  1.8 0.0 3.2
assign (resid 14 and name HA) (resid 14 and name HG2)  1.8 0.0 3.2  

assign (resid 14 and name HB#) (resid 14 and name HN)  1.8 0.0 1.7

assign (resid 14 and name HB#) (resid 14 and name HA)  1.8 0.0 1.1  

assign (resid 14 and name HB#) (resid 14 and name HG1) 1.8 0.0 1.7
assign (resid 14 and name HB#) (resid 14 and name HG2) 1.8 0.0 1.7

assign (resid 14 and name HN) (resid 14 and name HG1) 1.8 0.0 3.2
assign (resid 14 and name HN) (resid 14 and name HG2) 1.8 0.0 3.2

!inter

assign (resid 14 and name HN) (resid 10 and name HA) 1.8 0.0 3.2

assign (resid 14 and name HN) (resid 11 and name HA) 1.8 0.0 4.2

assign (resid 14 and name HN) (resid 12 and name HA) 1.8 0.0 4.2

assign (resid 14 and name HN) (resid 12 and name HN) 1.8 0.0 3.2

assign (resid 14 and name HN) (resid 13 and name HN) 1.8 0.0 1.1

assign (resid 14 and name HN) (resid 13 and name HA) 1.8 0.0 1.7

assign (resid 14 and name HN) (resid 13 and name HB1) 1.8 0.0 4.2
assign (resid 14 and name HN) (resid 13 and name HB2) 1.8 0.0 3.2

assign (resid 14 and name HN) (resid 13 and name HG1) 1.8 0.0 3.2
assign (resid 14 and name HN) (resid 13 and name HG2) 1.8 0.0 4.2

assign (resid 14 and name HN) (resid 15 and name HN) 1.8 0.0 1.1

assign (resid 14 and name HN) (resid 15 and name HA) 1.8 0.0 4.2
    
assign (resid 14 and name HN) (resid 15 and name HD#) 1.8 0.0 4.2

assign (resid 14 and name HN) (resid 15 and name HE#) 1.8 0.0 4.2


assign (resid 14 and name HB#) (resid 15 and name HN) 1.8 0.0 3.2




!Phe-15

!intra

assign (resid 15 and name HN) (resid 15 and name HA) 1.8 0.0 1.7

assign (resid 15 and name HN) (resid 15 and name HB1) 1.8 0.0 2.5
assign (resid 15 and name HN) (resid 15 and name HB2) 1.8 0.0 3.2

assign (resid 15 and name HB1) (resid 15 and name HA) 1.8 0.0 1.7
assign (resid 15 and name HB2) (resid 15 and name HA) 1.8 0.0 1.7

!inter

assign (resid 15 and name HN) (resid 14 and name HA) 1.8 0.0 1.7

assign (resid 15 and name HN) (resid 14 and name HB#) 1.8 0.0 1.7

assign (resid 15 and name HN) (resid 14 and name HG1) 1.8 0.0 3.5
assign (resid 15 and name HN) (resid 14 and name HG2) 1.8 0.0 3.5

assign (resid 15 and name HB#) (resid 16 and name HD#) 1.8 0.0 3.2

assign (resid 15 and name HN)  (resid 16 and name HB#) 1.8 0.0 3.2  







!Leu-16

!intra

assign (resid 16 and name HA)  (resid 16 and name HG) 1.8 0.0 1.7

assign (resid 16 and name HN) (resid 16 and name HA) 1.8 0.0 1.7

assign (resid 16 and name HN) (resid 16 and name HB1) 1.8 0.0 3.2     
assign (resid 16 and name HN) (resid 16 and name HB2) 1.8 0.0 1.7

assign (resid 16 and name HB1) (resid 16 and name HA) 1.8 0.0 1.7
assign (resid 16 and name HB2) (resid 16 and name HA) 1.8 0.0 1.7

assign (resid 16 and name HB1) (resid 16 and name HG)  1.8 0.0 1.7  
assign (resid 16 and name HB2) (resid 16 and name HG)  1.8 0.0 1.7

assign (resid 16 and name HB1) (resid 16 and name HD#) 1.8 0.0 1.1
assign (resid 16 and name HB2) (resid 16 and name HD#) 1.8 0.0 1.1

assign (resid 16 and name HN) (resid 16 and name HG)   1.8 0.0 3.2

assign (resid 16 and name HD#) (resid 16 and name HA)  1.8 0.0 1.7

assign (resid 16 and name HG) (resid 16 and name HD#) 1.8 0.0 1.1

!inter

!!!assign (resid 16 and name HN)  (resid 12 and name HB)   1.8 0.0 4.2

assign (resid 16 and name HB1) (resid 13 and name HA)   1.8 0.0 4.2   
assign (resid 16 and name HB2) (resid 13 and name HA)   1.8 0.0 4.2

!!assign (resid 16 and name HD#) (resid 13 and name HA)   1.8 0.0 1.7   


assign (resid 16 and name HN) (resid 14 and name HA)    1.8 0.0 4.2

assign (resid 16 and name HN) (resid 14 and name HN)    1.8 0.0 3.2


assign (resid 16 and name HN) (resid 15 and name HB1)   1.8 0.0 3.2
assign (resid 16 and name HN) (resid 15 and name HB2)   1.8 0.0 3.2


!!assign (resid 16 and name HD#) (resid 18 and name HB#)  1.8 0.0 3.2 
 

assign (resid 16 and name HA)  (resid 17 and name HD#)  1.8 0.0 1.7 



assign (resid 16 and name HB2) (resid 19 and name HB)   1.8 0.0 4.2    !add 201404
assign (resid 16 and name HB1) (resid 19 and name HB)   1.8 0.0 5.2    !add 201404







!Pro-17

!intra

assign (resid 17 and name HA) (resid 17 and name HD1)   1.8 0.0 3.2
assign (resid 17 and name HA) (resid 17 and name HD2)   1.8 0.0 3.2

assign (resid 17 and name HB1) (resid 17 and name HD2)  1.8 0.0 3.2
assign (resid 17 and name HB2) (resid 17 and name HD2)  1.8 0.0 3.2
assign (resid 17 and name HB1) (resid 17 and name HD1)  1.8 0.0 2.5
assign (resid 17 and name HB2) (resid 17 and name HD1)  1.8 0.0 2.5

assign (resid 17 and name HG1) (resid 17 and name HA)  1.8 0.0 3.2
assign (resid 17 and name HG2) (resid 17 and name HA)  1.8 0.0 3.2

assign (resid 17 and name HG1) (resid 17 and name HB1) 1.8 0.0 1.7   
assign (resid 17 and name HG2) (resid 17 and name HB1) 1.8 0.0 1.7
assign (resid 17 and name HG1) (resid 17 and name HB2) 1.8 0.0 1.7
assign (resid 17 and name HG2) (resid 17 and name HB2) 1.8 0.0 1.7

assign (resid 17 and name HG1) (resid 17 and name HD1) 1.8 0.0 1.1
assign (resid 17 and name HG2) (resid 17 and name HD1) 1.8 0.0 1.1
assign (resid 17 and name HG1) (resid 17 and name HD2) 1.8 0.0 1.1
assign (resid 17 and name HG2) (resid 17 and name HD2) 1.8 0.0 1.1

!inter

assign (resid 17 and name HA) (resid 12 and name HG#) 1.8 0.0 5.2    

assign (resid 17 and name HD1) (resid 15 and name HA) 1.8 0.0 4.2
assign (resid 17 and name HD2) (resid 15 and name HA) 1.8 0.0 5.2


assign (resid 17 and name HD1) (resid 16 and name HA) 1.8 0.0 1.7   
assign (resid 17 and name HD2) (resid 16 and name HA) 1.8 0.0 1.7

assign (resid 17 and name HD#) (resid 16 and name HG) 1.8 0.0 4.2


assign (resid 17 and name HA) (resid 18 and name HA)  1.8 0.0 3.2  

assign (resid 17 and name HA) (resid 18 and name HN)  1.8 0.0 1.7  

assign (resid 17 and name HA) (resid 19 and name HN)  1.8 0.0 4.2




!Asp-18

!intra

assign (resid 18 and name HA) (resid 18 and name HB1) 1.8 0.0 1.1
assign (resid 18 and name HA) (resid 18 and name HB2) 1.8 0.0 1.1

assign (resid 18 and name HA) (resid 18 and name HN) 1.8 0.0 1.7

assign (resid 18 and name HB1) (resid 18 and name HN) 1.8 0.0 1.7
assign (resid 18 and name HB2) (resid 18 and name HN) 1.8 0.0 1.7

!inter

assign (resid 18 and name HN) (resid 16 and name HA)  1.8 0.0 4.5


assign (resid 18 and name HN) (resid 17 and name HA)  1.8 0.0 1.7

assign (resid 18 and name HN) (resid 17 and name HG#) 1.8 0.0 1.7

assign (resid 18 and name HN) (resid 17 and name HB#) 1.8 0.0 4.2

assign (resid 18 and name HN) (resid 17 and name HD1) 1.8 0.0 4.2
assign (resid 18 and name HN) (resid 17 and name HD2) 1.8 0.0 3.2


assign (resid 18 and name HN) (resid 17 and name HB#)  1.8 0.0 3.2

assign (resid 18 and name HN) (resid 19 and name HG#) 1.8 0.0 3.2   

assign (resid 18 and name HN) (resid 19 and name HN) 1.8 0.0 1.7







!Val-19

!intra

assign (resid 19 and name HA) (resid 19 and name HG#) 1.8 0.0 1.7   ! overlap with other signal

assign (resid 19 and name HB) (resid 19 and name HG#) 1.8 0.0 1.1

assign (resid 19 and name HA) (resid 19 and name HB)  1.8 0.0 1.7

assign (resid 19 and name HA) (resid 19 and name HN)  1.8 0.0 1.7

assign (resid 19 and name HB) (resid 19 and name HN)  1.8 0.0 1.7

assign (resid 19 and name HG#) (resid 19 and name HN) 1.8 0.0 1.7



!inter

assign (resid 19 and name HB) (resid 12 and name HG#) 1.8 0.0 4.2


assign (resid 19 and name HN) (resid 17 and name HA) 1.8 0.0 4.2

!!!assign (resid 19 and name HN) (resid 17 and name HG#) 1.8 0.0 4.2


assign (resid 19 and name HN) (resid 18 and name HA) 1.8 0.0 1.7

assign (resid 19 and name HN) (resid 18 and name HB1) 1.8 0.0 3.2
assign (resid 19 and name HN) (resid 18 and name HB2) 1.8 0.0 3.2


assign (resid 19 and name HA) (resid 20 and name HN) 1.8 0.0 1.7   ! double emerge

assign (resid 19 and name HN) (resid 20 and name HN) 1.8 0.0 3.2

!!!assign (resid 19 and name HA) (resid 20 and name HB#) 1.8 0.0 3.2

!assign (resid 19 and name HG#) (resid 20 and name HA) 1.8 0.0 3.2

assign (resid 19 and name HN) (resid 20 and name HB#) 1.8 0.0 4.2


!!!assign (resid 19 and name HN) (resid 21 and name HG#) 1.8 0.0 4.2
! violated 20110922

assign (resid 19 and name HN) (resid 16 and name HB1) 1.8 0.0 4.5
assign (resid 19 and name HN) (resid 16 and name HB2) 1.8 0.0 4.5


!!!assign (resid 19 and name HB) (resid 21 and name HG#) 1.8 0.0 4.2  ! only HG2

assign (resid 19 and name HB) (resid 16 and name HG#) 1.8 0.0 4.2  





!Ala-20

!intra

assign (resid 20 and name HN) (resid 20 and name HA)   1.8 0.0 1.7

assign (resid 20 and name HA) (resid 20 and name HB#)  1.8 0.0 1.1

assign (resid 20 and name HB#) (resid 20 and name HN)  1.8 0.0 1.1

!inter

assign (resid 20 and name HN) (resid 19 and name HB) 1.8 0.0 3.2


assign (resid 20 and name HB#) (resid 21 and name HD#) 1.8 0.0 1.7
! better not modify


!assign (resid 20 and name HB#) (resid 22 and name HN)  1.8 0.0 3.2


assign (resid 20 and name HB#) (resid 23 and name HB#) 1.8 0.0 3.2

assign (resid 20 and name HN) (resid 23 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 20 and name HN) (resid 22 and name HN) 1.8 0.0 4.2    !add 201404






!Pro-21

!intra

assign (resid 21 and name HA) (resid 21 and name HB#)  1.8 0.0 1.1

assign (resid 21 and name HB#) (resid 21 and name HG#)  1.8 0.0 1.7 

assign (resid 21 and name HD#) (resid 21 and name HB#) 1.8 0.0 1.7

assign (resid 21 and name HD#) (resid 21 and name HA)  1.8 0.0 3.2

assign (resid 21 and name HD#) (resid 21 and name HG#) 1.8 0.0 1.7   ! overlap HG2

assign (resid 21 and name HG#) (resid 21 and name HA)  1.8 0.0 1.7   ! overlap

!inter

assign (resid 21 and name HA) (resid 8 and name HB#) 1.8 0.0 3.2

assign (resid 21 and name HA) (resid 24 and name HG1#) 1.8 0.0 3.2
assign (resid 21 and name HA) (resid 24 and name HG2#) 1.8 0.0 3.2


! assign (resid 21 and name HB#) (resid 7 and name HD1#)  1.8 0.0 5.2

assign (resid 21 and name HB#) (resid 8 and name HN)  1.8 0.0 4.2

assign (resid 21 and name HB#) (resid 8 and name HB#)  1.8 0.0 3.2

assign (resid 21 and name HB#) (resid 17 and name HG#)  1.8 0.0 5.5

assign (resid 21 and name HB#) (resid 17 and name HD#)  1.8 0.0 5.2

assign (resid 21 and name HB#) (resid 19 and name HG#)  1.8 0.0 5.2

assign (resid 21 and name HB#) (resid 20 and name HA)  1.8 0.0 3.2

assign (resid 21 and name HB#) (resid 20 and name HB#)  1.8 0.0 3.2

! assign (resid 21 and name HB#) (resid 22 and name HN)  1.8 0.0 3.2  ! repeated

assign (resid 21 and name HB#) (resid 23 and name HN)  1.8 0.0 3.2


assign (resid 21 and name HG#) (resid 12 and name HG#) 1.8 0.0 3.2  

! assign (resid 21 and name HG#) (resid 17 and name HA) 1.8 0.0 5.2 

assign (resid 21 and name HG#) (resid 17 and name HG#) 1.8 0.0 5.5

assign (resid 21 and name HG#) (resid 19 and name HN) 1.8 0.0 5.2


assign (resid 21 and name HD#) (resid 12 and name HG#) 1.8 0.0 3.2

assign (resid 21 and name HD#) (resid 20 and name HA)  1.8 0.0 1.7
   
!assign (resid 21 and name HD#) (resid 24 and (name HG1# or name HG2#)) 1.8 0.0 3.2


assign (resid 21 and name HA)  (resid 23 and name HA) 1.8 0.0 4.5      !add 201404











!Ala-22

!intra
assign (resid 22 and name HA) (resid 22 and name HB#) 1.8 0.0 1.1

assign (resid 22 and name HA) (resid 22 and name HN)  1.8 0.0 1.7

assign (resid 22 and name HB#) (resid 22 and name HN) 1.8 0.0 1.1

!inter

assign (resid 22 and name HN) (resid 20 and name HN) 1.8 0.0 4.2

assign (resid 22 and name HN) (resid 20 and name HA) 1.8 0.0 3.2

assign (resid 22 and name HN) (resid 20 and name HB#) 1.8 0.0 1.7

assign (resid 22 and name HN) (resid 21 and name HA) 1.8 0.0 1.7 !olw 22HA

assign (resid 22 and name HN) (resid 21 and name HD#) 1.8 0.0 1.7

assign (resid 22 and name HN) (resid 21 and name HG2) 1.8 0.0 3.2
assign (resid 22 and name HN) (resid 21 and name HG1) 1.8 0.0 3.2

assign (resid 22 and name HN)  (resid 21 and name HB#) 1.8 0.0 1.7

assign (resid 22 and name HN)  (resid 23 and name HB#) 1.8 0.0 3.2

assign (resid 22 and name HN)  (resid 24 and name HN) 1.8 0.0 3.2

assign (resid 22 and name HN)  (resid 24 and (name HG1# or name HG2#)) 1.8 0.0 3.2


assign (resid 22 and name HA)  (resid 23 and name HB#) 1.8 0.0 4.2


assign (resid 22 and name HB#) (resid 20 and name HA) 1.8 0.0 3.2

assign (resid 22 and name HB#) (resid 23 and name HN) 1.8 0.0 1.7

assign (resid 22 and name HB#) (resid 23 and name HA) 1.8 0.0 3.2

assign (resid 22 and name HB#)  (resid 24 and (name HG1# or name HG2#)) 1.8 0.0 3.2



!Asp-23

!intra

assign (resid 23 and name HA) (resid 23 and name HB#) 1.8 0.0 1.7

assign (resid 23 and name HB#) (resid 23 and name HN) 1.8 0.0 1.7

assign (resid 23 and name HN) (resid 23 and name HA) 1.8 0.0 1.7


!inter

assign (resid 23 and name HN) (resid 20 and name HN)  1.8 0.0 3.5

assign (resid 23 and name HN) (resid 22 and name HA)  1.8 0.0 1.7

assign (resid 23 and name HN) (resid 24 and name HA)  1.8 0.0 3.2

assign (resid 23 and name HN) (resid 24 and name HB)  1.8 0.0 4.2

assign (resid 23 and name HN) (resid 24 and name HN)  1.8 0.0 1.1

assign (resid 22 and name HN)  (resid 24 and (name HG1# or name HG2#)) 1.8 0.0 3.2

assign (resid 23 and name HN) (resid 26 and name HN)  1.8 0.0 5.2


assign (resid 23 and name HB1) (resid 20 and name HB#)  1.8 0.0 3.2
assign (resid 23 and name HB2) (resid 20 and name HB#)  1.8 0.0 4.2










!Val-24

!intra

assign (resid 24 and name HA) (resid 24 and name HB)  1.8 0.0 1.7

assign (resid 24 and name HA) (resid 24 and (name HG1# or name HG2#)) 1.8 0.0 1.1

assign (resid 24 and name HB) (resid 24 and (name HG1# or name HG2#)) 1.8 0.0 1.1

assign (resid 24 and name HB) (resid 24 and name HN)  1.8 0.0 1.7

assign (resid 24 and name HN) (resid 24 and (name HG1# or name HG2#)) 1.8 0.0 1.7

!inter

assign (resid 24 and name HN) (resid 22 and name HA)  1.8 0.0 3.2

assign (resid 24 and name HN) (resid 22 and name HB#) 1.8 0.0 3.2


assign (resid 24 and name HN) (resid 23 and name HA)  1.8 0.0 1.7

assign (resid 24 and name HN) (resid 23 and name HB#) 1.8 0.0 3.2


assign (resid 24 and name HA) (resid 25 and name HN)  1.8 0.0 1.7

assign (resid 24 and name HN) (resid 25 and name HN) 1.8 0.0 3.2







!Asp-25

!intra

assign (resid 25 and name HA) (resid 25 and name HB#) 1.8 0.0 1.1

assign (resid 25 and name HA) (resid 25 and name HN)  1.8 0.0 1.7

assign (resid 25 and name HB#) (resid 25 and name HN) 1.8 0.0 1.7

!inter

!!!assign (resid 25 and name HB#) (resid 24 and name HA)  1.8 0.0 3.2

assign (resid 25 and name HN)  (resid 24 and (name HG1# or name HG2#)) 1.8 0.0 3.2


assign (resid 25 and name HA)  (resid 26 and name HN)  1.8 0.0 1.7
!double emerge

assign (resid 25 and name HB#) (resid 26 and (name HG1# or name HG2#)) 1.8 0.0 3.2


assign (resid 25 and name HN) (resid 28 and name HB#)  1.8 0.0 3.2   ! HB1 certain

 
assign (resid 25 and name HN) (resid 28 and name HN) 1.8 0.0 4.2







!Val-26   ( HG2#  )

!intra

assign (resid 26 and name HA) (resid 26 and name HN) 1.8 0.0 3.2

assign (resid 26 and name HA) (resid 26 and name HB) 1.8 0.0 1.1

assign (resid 26 and name HA) (resid 26 and name HG2#) 1.8 0.0 1.7
assign (resid 26 and name HA) (resid 26 and name HG1#) 1.8 0.0 1.7

assign (resid 26 and name HB) (resid 26 and name HN) 1.8 0.0 3.2

assign (resid 26 and name HN) (resid 26 and name HG1#) 1.8 0.0 1.7
assign (resid 26 and name HN) (resid 26 and name HG2#) 1.8 0.0 1.7

assign (resid 26 and (name HG1# or name HG2#)) (resid 26 and name HB) 1.8 0.0 1.7

!inter

assign (resid 26 and (name HG1# or name HG2#)) (resid 4 and name HB#) 1.8 0.0 4.2     
!Key influence violated 20110920

!!!assign (resid 26 and name HN) (resid 24 and name HB) 1.8 0.0 3.2

assign (resid 26 and name HN) (resid 28 and name HN)  1.8 0.0 3.2


! assign (resid 26 and name HA)   (resid 69 and name HB)  1.8 0.0 4.2
! 20111101

!!assign (resid 26 and (name HG2# or name HG1#)) (resid 69 and name HG2#) 1.8 0.0 3.2  
!only strength unsure

!!assign (resid 26 and (name HG2# or name HG1#)) (resid 69 and name HG1#) 1.8 0.0 3.2  
!max 3.2   HG12


!assign (resid 26 and (name HG2# or name HG1#)) (resid 73 and name HB2) 1.8 0.0 4.2   ! only







!Asp-27

!intra

assign (resid 27 and name HA) (resid 27 and name HB2) 1.8 0.0 1.7
assign (resid 27 and name HA) (resid 27 and name HB1) 1.8 0.0 1.7

assign (resid 27 and name HA) (resid 27 and name HN) 1.8 0.0 3.2

assign (resid 27 and name HB2) (resid 27 and name HN) 1.8 0.0 1.7
assign (resid 27 and name HB1) (resid 27 and name HN) 1.8 0.0 3.2

!inter

assign (resid 27 and name HN) (resid 26 and name HA) 1.8 0.0 3.2

assign (resid 27 and name HN) (resid 25 and name HB#) 1.8 0.0 3.2

assign (resid 27 and name HN) (resid 26 and name HG1#) 1.8 0.0 3.2
assign (resid 27 and name HN) (resid 26 and name HG2#) 1.8 0.0 3.2

assign (resid 27 and name HN) (resid 28 and name HB1) 1.8 0.0 3.2
assign (resid 27 and name HN) (resid 28 and name HB2) 1.8 0.0 3.2
!!!need checking 20110920


assign (resid 27 and name HN) (resid 28 and name HN) 1.8 0.0 1.7

assign (resid 27 and name HA) (resid 68 and name HB#) 1.8 0.0 4.2





!Leu-28

!intra

assign (resid 28 and name HA) (resid 28 and name HN) 1.8 0.0 3.2

assign (resid 28 and name HA) (resid 28 and name HB1) 1.8 0.0 1.7   
assign (resid 28 and name HA) (resid 28 and name HB2) 1.8 0.0 1.7

assign (resid 28 and name HA) (resid 28 and name HG) 1.8 0.0 1.7

assign (resid 28 and name HA) (resid 28 and name HD2#) 1.8 0.0 3.2
assign (resid 28 and name HD1#) (resid 28 and name HA) 1.8 0.0 3.2

assign (resid 28 and name HB2) (resid 28 and name HN) 1.8 0.0 1.7
assign (resid 28 and name HB1) (resid 28 and name HN) 1.8 0.0 1.7   

assign (resid 28 and name HB1) (resid 28 and name HG) 1.8 0.0 1.7
assign (resid 28 and name HB2) (resid 28 and name HG) 1.8 0.0 1.7

assign (resid 28 and name HB2) (resid 28 and name HD1#) 1.8 0.0 1.7
assign (resid 28 and name HB1) (resid 28 and name HD1#) 1.8 0.0 1.7

assign (resid 28 and name HG) (resid 28 and name HD#)  1.8 0.0 1.1

assign (resid 28 and name HG) (resid 28 and name HD1#) 1.8 0.0 1.1

assign (resid 28 and name HN) (resid 28 and name HD1#) 1.8 0.0 3.2
assign (resid 28 and name HN) (resid 28 and name HD2#) 1.8 0.0 3.2

!inter

assign (resid 28 and name HB1) (resid 25 and name HB#)  1.8 0.0 3.2
assign (resid 28 and name HB2) (resid 25 and name HB#)  1.8 0.0 3.2
! indeed need checking 20110920


assign (resid 28 and (name HD1# or name HD2#)) (resid 29 and name HB#) 1.8 0.0 4.2

assign (resid 28 and name HN) (resid 25 and name HB#) 1.8 0.0 3.2


assign (resid 28 and name HN) (resid 27 and name HB1)  1.8 0.0 3.2
assign (resid 28 and name HN) (resid 27 and name HB2)  1.8 0.0 3.2

assign (resid 28 and name HN) (resid 27 and name HA) 1.8 0.0 1.7


!assign (resid 28 and name HA) (resid 29 and name HN)   1.8 0.0 3.2

assign (resid 28 and name HB2) (resid 29 and name HA)  1.8 0.0 4.2  ! double emerge
assign (resid 28 and name HB1) (resid 29 and name HA)  1.8 0.0 4.2

assign (resid 28 and (name HD1# or name HD2#)) (resid 29 and name HA)  1.8 0.0 4.2





!Asp-29

!intra

assign (resid 29 and name HB2) (resid 29 and name HA) 1.8 0.0 1.7
assign (resid 29 and name HB1) (resid 29 and name HA) 1.8 0.0 1.7

assign (resid 29 and name HN)  (resid 29 and name HA) 1.8 0.0 1.7

assign (resid 29 and name HB1) (resid 29 and name HN) 1.8 0.0 2.5
assign (resid 29 and name HB2) (resid 29 and name HN) 1.8 0.0 2.5

!inter

assign (resid 29 and name HN) (resid 28 and name HD#) 1.8 0.0 1.7

assign (resid 29 and name HN) (resid 28 and name HN)  1.8 0.0 3.2

assign (resid 29 and name HN) (resid 28 and name HB1) 1.8 0.0 3.2
assign (resid 29 and name HN) (resid 28 and name HB2) 1.8 0.0 3.2

assign (resid 29 and name HN) (resid 28 and name HG) 1.8 0.0 3.2


assign (resid 29 and name HN) (resid 30 and name HN) 1.8 0.0 3.2


assign (resid 29 and name HN) (resid 31 and name HN) 1.8 0.0 3.2


assign (resid 29 and name HN) (resid 33 and name HD2#) 1.8 0.0 5.2










!Leu-30

!intra

assign (resid 30 and name HA) (resid 30 and name HB2) 1.8 0.0 1.7
assign (resid 30 and name HA) (resid 30 and name HB1) 1.8 0.0 1.7

assign (resid 30 and name HA) (resid 30 and (name HD1# or name HD2#)) 1.8 0.0 1.7

assign (resid 30 and name HB1) (resid 30 and name HN) 1.8 0.0 3.2
assign (resid 30 and name HB2) (resid 30 and name HN) 1.8 0.0 3.2

assign (resid 30 and name HB1) (resid 30 and (name HD1# or name HD2#)) 1.8 0.0 1.1
assign (resid 30 and name HB2) (resid 30 and (name HD1# or name HD2#)) 1.8 0.0 1.1

assign (resid 30 and (name HD1# or name HD2#)) (resid 30 and name HG) 1.8 0.0 1.7

assign (resid 30 and (name HD1# or name HD2#)) (resid 30 and name HN) 1.8 0.0 3.2   ! HD2#

assign (resid 30 and name HB1) (resid 30 and name HG) 1.8 0.0 1.7
assign (resid 30 and name HB2) (resid 30 and name HG) 1.8 0.0 1.7

assign (resid 30 and name HN) (resid 30 and name HG)  1.8 0.0 1.7

assign (resid 30 and name HG) (resid 30 and name HA)  1.8 0.0 1.7

!inter

assign (resid 30 and name HN)  (resid 28 and name HA)  1.8 0.0 4.2

assign (resid 30 and name HN)  (resid 29 and name HB#) 1.8 0.0 3.2   

assign (resid 30 and name HN)  (resid 29 and name HA)  1.8 0.0 1.7

assign (resid 30 and name HN)  (resid 31 and name HB)  1.8 0.0 5.2

assign (resid 30 and name HN)  (resid 31 and name HN)  1.8 0.0 3.2

assign (resid 30 and name HN)  (resid 32 and name HN)  1.8 0.0 4.2

assign (resid 30 and name HN) (resid 69 and name HD1#) 1.8 0.0 4.5


assign (resid 30 and name HA)  (resid 28 and name HA)  1.8 0.0 4.5

assign (resid 30 and name HA)  (resid 31 and name HB)  1.8 0.0 4.5

assign (resid 30 and name HA)  (resid 33 and name HN)  1.8 0.0 3.2


assign (resid 30 and name HB#) (resid 31 and name HG#) 1.8 0.0 3.2

assign (resid 30 and name HB2) (resid 36 and name HD1#) 1.8 0.0 4.2    
assign (resid 30 and name HB1) (resid 36 and name HD1#) 1.8 0.0 4.5

assign (resid 30 and name HB#) (resid 87 and name HE#) 1.8 0.0 7.2     


assign (resid 30 and (name HD1# or name HD2#)) (resid 28 and (name HD1# or name HD2#)) 1.8 0.0 3.2    

assign (resid 30 and (name HD1# or name HD2#)) (resid 29 and name HA)  1.8 0.0 3.2

assign (resid 30 and (name HD1# or name HD2#)) (resid 36 and name HG2#) 1.8 0.0 4.2 

assign (resid 30 and (name HD1# or name HD2#)) (resid 36 and name HD1#) 1.8 0.0 3.2 

assign (resid 30 and (name HD1# or name HD2#)) (resid 68 and name HA)  1.8 0.0 3.2

assign (resid 30 and (name HD1# or name HD2#)) (resid 69 and name HN)  1.8 0.0 3.2


assign (resid 30 and name HG) (resid 29 and name HA) 1.8 0.0 4.2

assign (resid 30 and name HG) (resid 68 and name HA) 1.8 0.0 3.2

assign (resid 30 and name HG) (resid 69 and name HN) 1.8 0.0 3.2

assign (resid 30 and name HG) (resid 69 and name HD1#) 1.8 0.0 4.2





    







!Val-31

!intra

assign (resid 31 and name HA) (resid 31 and (name HG1# or name HG2#)) 1.8 0.0 1.7

assign (resid 31 and name HA) (resid 31 and name HN) 1.8 0.0 3.2

assign (resid 31 and name HB) (resid 31 and (name HG1# or name HG2#)) 1.8 0.0 1.1

assign (resid 31 and name HA) (resid 31 and name HB) 1.8 0.0 1.7

assign (resid 31 and name HB) (resid 31 and name HN) 1.8 0.0 1.7

assign (resid 31 and name HN) (resid 31 and (name HG1# or name HG2#)) 1.8 0.0 1.7

!inter

assign (resid 31 and name HN) (resid 29 and name HA) 1.8 0.0 3.2

assign (resid 31 and name HN) (resid 30 and name HA) 1.8 0.0 1.7

assign (resid 31 and name HN) (resid 30 and (name HD1# or name HD2#)) 1.8 0.0 3.2

assign (resid 31 and name HN) (resid 30 and name HB1) 1.8 0.0 3.2
assign (resid 31 and name HN) (resid 30 and name HB2) 1.8 0.0 3.2

assign (resid 31 and name HN) (resid 32 and name HN) 1.8 0.0 1.1

assign (resid 31 and name HN) (resid 32 and name HB#) 1.8 0.0 3.2

assign (resid 31 and name HN) (resid 33 and name HN) 1.8 0.0 3.2


assign (resid 31 and name HA) (resid 32 and name HN) 1.8 0.0 1.7

assign (resid 31 and name HA) (resid 33 and name HN) 1.8 0.0 3.2

assign (resid 31 and name HA) (resid 36 and name HB) 1.8 0.0 6.2

assign (resid 31 and name HA) (resid 36 and (name HD1# or name HG2#)) 1.8 0.0 4.2

assign (resid 31 and name HA) (resid 66 and name HN) 1.8 0.0 5.2

assign (resid 31 and name HA) (resid 68 and name HN) 1.8 0.0 5.2


assign (resid 31 and name HB) (resid 30 and name HB#) 1.8 0.0 4.5 

assign (resid 31 and name HB) (resid 30 and name HD#) 1.8 0.0 5.2 

assign (resid 31 and name HB) (resid 32 and name HN) 1.8 0.0 3.2

assign (resid 31 and name HB) (resid 32 and name HA) 1.8 0.0 4.2

! assign (resid 31 and name HB) (resid 36 and name HN) 1.8 0.0 6.2

! assign (resid 31 and name HB) (resid 36 and name HA) 1.8 0.0 5.2

assign (resid 31 and name HB) (resid 67 and name HG#) 1.8 0.0 4.2 

assign (resid 31 and name HB) (resid 67 and name HD#) 1.8 0.0 4.2 


assign (resid 31 and name HG#) (resid 30 and name HB#) 1.8 0.0 3.2 

assign (resid 31 and name HG#) (resid 66 and name HN) 1.8 0.0 4.5

assign (resid 31 and name HG#) (resid 67 and name HG#) 1.8 0.0 4.2

assign (resid 31 and name HG#) (resid 67 and name HD#) 1.8 0.0 4.2

assign (resid 31 and name HG#) (resid 68 and name HN) 1.8 0.0 4.2





!Asp-32

!inter

assign (resid 32 and name HA) (resid 32 and name HB#) 1.8 0.0 1.1

assign (resid 32 and name HA) (resid 32 and name HN) 1.8 0.0 1.7

assign (resid 32 and name HB#) (resid 32 and name HN) 1.8 0.0 3.2

!inter

assign (resid 32 and name HN)  (resid 30 and name HB#)  1.8 0.0 4.2

assign (resid 32 and name HN)  (resid 31 and name HA)   1.8 0.0 1.7

assign (resid 32 and name HN)  (resid 31 and (name HG1# or name HG2#))  1.8 0.0 1.7

assign (resid 32 and name HN)  (resid 33 and name HN)   1.8 0.0 1.7

assign (resid 32 and name HN)  (resid 33 and name HB#)   1.8 0.0 3.2

assign (resid 32 and name HN)  (resid 34 and name HN)   1.8 0.0 3.2

assign (resid 32 and name HN) (resid 67 and name HD#) 1.8 0.0 4.5





!Asn-33

!intra

assign (resid 33 and name HN) (resid 33 and name HA)  1.8 0.0 1.1

assign (resid 33 and name HB1) (resid 33 and name HA) 1.8 0.0 1.7
assign (resid 33 and name HB2) (resid 33 and name HA) 1.8 0.0 1.1

assign (resid 33 and name HB1) (resid 33 and name HN) 1.8 0.0 3.2
assign (resid 33 and name HB2) (resid 33 and name HN) 1.8 0.0 3.2



!inter

assign (resid 33 and name HN)  (resid 32 and name HA)  1.8 0.0 1.7

assign (resid 33 and name HN)  (resid 32 and name HB#) 1.8 0.0 1.7

assign (resid 33 and name HN)  (resid 34 and name HN)  1.8 0.0 1.1

assign (resid 33 and name HN)  (resid 30 and name HA)  1.8 0.0 3.2

assign (resid 33 and name HN)  (resid 35 and name HN)  1.8 0.0 4.2

assign (resid 33 and name HN)  (resid 35 and name HB)  1.8 0.0 5.2

assign (resid 33 and name HB1) (resid 28 and (name HD1# or name HD2#)) 1.8 0.0 4.5
assign (resid 33 and name HB2) (resid 28 and (name HD1# or name HD2#)) 1.8 0.0 6.2

assign (resid 33 and name HB1) (resid 34 and name HA#) 1.8 0.0 4.2
assign (resid 33 and name HB2) (resid 34 and name HA#) 1.8 0.0 3.2

assign (resid 33 and name HB1) (resid 36 and name HN) 1.8 0.0 4.2
assign (resid 33 and name HB2) (resid 36 and name HN) 1.8 0.0 4.2




!Gly-34

!intra

assign (resid 34 and name HA1) (resid 34 and name HN) 1.8 0.0 1.7
assign (resid 34 and name HA2) (resid 34 and name HN) 1.8 0.0 1.7


!inter

assign (resid 34 and name HN)  (resid 31 and name HA) 1.8 0.0 1.7

assign (resid 34 and name HN)  (resid 31 and (name HG1# or name HG2#)) 1.8 0.0 3.2


assign (resid 34 and name HN)  (resid 32 and name HA) 1.8 0.0 3.2

assign (resid 34 and name HN)  (resid 32 and name HN) 1.8 0.0 3.2

!! assign (resid 34 and name HN)  (resid 32 and name HB#) 1.8 0.0 3.2
! check 20111102

assign (resid 34 and name HN)  (resid 33 and name HB1) 1.8 0.0 3.2
assign (resid 34 and name HN)  (resid 33 and name HB2) 1.8 0.0 3.2

assign (resid 34 and name HN)  (resid 33 and name HA) 1.8 0.0 1.7


assign (resid 34 and name HN)  (resid 35 and name HN) 1.8 0.0 3.2

assign (resid 34 and name HA#) (resid 35 and name HN) 1.8 0.0 1.1

! assign (resid 34 and name HA#) (resid 35 and name HB) 1.8 0.0 3.2
! check 20111102






!Val-35

!intra

assign (resid 35 and name HA) (resid 35 and name HN) 1.8 0.0 1.7

assign (resid 35 and name HA) (resid 35 and name HB) 1.8 0.0 1.7   !double emerge

assign (resid 35 and name HN) (resid 35 and name HB) 1.8 0.0 1.7

assign (resid 35 and name HA) (resid 35 and name HG1#) 1.8 0.0 1.7
assign (resid 35 and name HA) (resid 35 and name HG2#) 1.8 0.0 1.7

assign (resid 35 and name HB) (resid 35 and name HN) 1.8 0.0 3.2

assign (resid 35 and name HB) (resid 35 and name HG1#) 1.8 0.0 1.1
assign (resid 35 and name HB) (resid 35 and name HG2#) 1.8 0.0 1.1

assign (resid 35 and name HG2#) (resid 35 and name HN) 1.8 0.0 2.5
assign (resid 35 and name HN) (resid 35 and name HG1#) 1.8 0.0 2.5

assign (resid 35 and name HG1#) (resid 35 and name HA) 1.8 0.0 1.1
assign (resid 35 and name HG2#) (resid 35 and name HA) 1.8 0.0 1.1

!inter

assign (resid 35 and name HN) (resid 31 and name HA) 1.8 0.0 4.2

assign (resid 35 and name HN)  (resid 32 and name HN) 1.8 0.0 5.2

assign (resid 35 and name HN) (resid 33 and name HA) 1.8 0.0 3.2

assign (resid 35 and name HN) (resid 33 and name HB1) 1.8 0.0 4.2
assign (resid 35 and name HN) (resid 33 and name HB2) 1.8 0.0 4.2

assign (resid 35 and name HN) (resid 33 and name HD2#) 1.8 0.0 4.2

assign (resid 35 and name HN) (resid 34 and name HA#) 1.8 0.0 1.7

assign (resid 35 and name HN)  (resid 36 and name HN) 1.8 0.0 1.1

assign (resid 35 and name HN) (resid 36 and name HB) 1.8 0.0 4.5

assign (resid 35 and name HN) (resid 36 and name HG1#) 1.8 0.0 4.5

assign (resid 35 and name HN)  (resid 38 and name HN) 1.8 0.0 5.2

assign (resid 35 and name HN) (resid 39 and name HB#) 1.8 0.0 5.2


assign (resid 35 and name HA) (resid 37 and name HN) 1.8 0.0 3.2

assign (resid 35 and name HA) (resid 39 and name HN) 1.8 0.0 3.2

assign (resid 35 and name HA) (resid 38 and name HN) 1.8 0.0 3.2   !add 201404


assign (resid 35 and name HB)  (resid 36 and name HN) 1.8 0.0 3.2

assign (resid 35 and (name HG1# or name HG2#)) (resid 15 and name HA) 1.8 0.0 4.5

assign (resid 35 and (name HG1# or name HG2#)) (resid 15 and name HB1) 1.8 0.0 4.2
assign (resid 35 and (name HG1# or name HG2#)) (resid 15 and name HB2) 1.8 0.0 4.2

assign (resid 35 and (name HG1# or name HG2#)) (resid 15 and name HD#) 1.8 0.0 4.2

assign (resid 35 and (name HG1# or name HG2#)) (resid 36 and name HN) 1.8 0.0 3.2








!Ile-36

!inter

assign (resid 36 and name HA) (resid 36 and name HB) 1.8 0.0 1.7

assign (resid 36 and name HA) (resid 36 and name HN) 1.8 0.0 1.7

assign (resid 36 and name HA) (resid 36 and name HG2#) 1.8 0.0 1.7

assign (resid 36 and name HB) (resid 36 and name HN) 1.8 0.0 1.7

assign (resid 36 and name HB) (resid 36 and name HG2#) 1.8 0.0 1.1

assign (resid 36 and name HG11) (resid 36 and name HN) 1.8 0.0 3.2
assign (resid 36 and name HG12) (resid 36 and name HN) 1.8 0.0 3.2

assign (resid 36 and name HG11) (resid 36 and name HA) 1.8 0.0 1.7
assign (resid 36 and name HG12) (resid 36 and name HA) 1.8 0.0 3.2

assign (resid 36 and name HG11) (resid 36 and name HB) 1.8 0.0 1.7
assign (resid 36 and name HG12) (resid 36 and name HB) 1.8 0.0 1.7

assign (resid 36 and name HG11) (resid 36 and name HD1#) 1.8 0.0 1.1
assign (resid 36 and name HG12) (resid 36 and name HD1#) 1.8 0.0 1.1

assign (resid 36 and name HN) (resid 36 and name HG2#) 1.8 0.0 3.2

assign (resid 36 and name HG2#) (resid 36 and name HG11) 1.8 0.0 1.7
assign (resid 36 and name HG2#) (resid 36 and name HG12) 1.8 0.0 1.7

assign (resid 36 and name HD1#) (resid 36 and name HA) 1.8 0.0 3.2

assign (resid 36 and name HD1#) (resid 36 and name HB) 1.8 0.0 1.1

assign (resid 36 and name HN)  (resid 36 and name HD1#) 1.8 0.0 3.2


!inter

assign (resid 36 and name HN) (resid 31 and name HA)   1.8 0.0 5.2  

! assign (resid 36 and name HN) (resid 31 and name HN)   1.8 0.0 5.2 

assign (resid 36 and name HN) (resid 33 and name HA)   1.8 0.0 4.2 

assign (resid 36 and name HN) (resid 34 and name HA#)  1.8 0.0 3.2

assign (resid 36 and name HN) (resid 34 and name HN)   1.8 0.0 4.2

assign (resid 36 and name HN) (resid 35 and name HA)   1.8 0.0 4.2 

assign (resid 36 and name HN) (resid 35 and name HB)   1.8 0.0 4.2 

assign (resid 36 and name HN) (resid 39 and name HB#)   1.8 0.0 4.2 


assign (resid 36 and name HA) (resid 35 and name HN) 1.8 0.0 4.2 

assign (resid 36 and name HA) (resid 37 and name HN) 1.8 0.0 3.2   

assign (resid 36 and name HA) (resid 42 and name HN) 1.8 0.0 4.2 


assign (resid 36 and name HB) (resid 31 and name HA) 1.8 0.0 6.2

assign (resid 36 and name HB) (resid 35 and name HG1#) 1.8 0.0 4.2
assign (resid 36 and name HB) (resid 35 and name HG2#) 1.8 0.0 4.5

assign (resid 36 and name HB) (resid 42 and name HN) 1.8 0.0 6.2



assign (resid 36 and name HG1#) (resid 41 and (name HD1# or name HD2#)) 1.8 0.0 4.2

assign (resid 36 and name HG1#) (resid 42 and name HN) 1.8 0.0 4.5


assign (resid 36 and name HG2#) (resid 35 and name HN) 1.8 0.0 4.2

assign (resid 36 and name HG2#) (resid 37 and name HN) 1.8 0.0 3.2

assign (resid 36 and name HG2#) (resid 40 and name HA#) 1.8 0.0 4.2

assign (resid 36 and name HG2#) (resid 41 and name HN) 1.8 0.0 4.2

assign (resid 36 and name HG2#) (resid 41 and name HB#) 1.8 0.0 4.2

assign (resid 36 and name HG2#) (resid 41 and name HG) 1.8 0.0 4.2

assign (resid 36 and name HG2#) (resid 41 and (name HD1# or name HD2#)) 1.8 0.0 4.2

assign (resid 36 and name HG2#) (resid 42 and name HN) 1.8 0.0 4.5

assign (resid 36 and name HG2#) (resid 44 and (name HG1# or name HG2#)) 1.8 0.0 3.2

assign (resid 36 and name HG2#) (resid 66 and name HD#)  1.8 0.0 4.2  


assign (resid 36 and name HD1#) 
      ((resid 30 and name HG) or (resid 43 and name HB#)) 1.8 0.0 4.2 

assign (resid 36 and name HD1#) (resid 41 and name HB#)  1.8 0.0 3.2     

assign (resid 36 and name HD1#) (resid 41 and (name HD1# or name HD2#)) 1.8 0.0 3.2

assign (resid 36 and name HD1#) (resid 42 and name HN) 1.8 0.0 5.2

assign (resid 36 and name HD1#) (resid 44 and (name HG1# or name HG2#)) 1.8 0.0 3.2

assign (resid 36 and name HD1#) (resid 66 and name HD#)  1.8 0.0 3.2  







!Asp-37

!intra

assign (resid 37 and name HB2) (resid 37 and name HA)   1.8 0.0 1.7
assign (resid 37 and name HA)  (resid 37 and name HB1)  1.8 0.0 1.7

assign (resid 37 and name HN) (resid 37 and name HB1) 1.8 0.0 3.2
assign (resid 37 and name HN) (resid 37 and name HB2) 1.8 0.0 1.7

assign (resid 37 and name HN) (resid 37 and name HA) 1.8 0.0 1.7

!inter

!!!assign (resid 37 and name HN) (resid 34 and name HA#) 1.8 0.0 4.2

assign (resid 37 and name HN) (resid 36 and name HB) 1.8 0.0 3.2

assign (resid 37 and name HN) (resid 36 and name HN) 1.8 0.0 3.2

assign (resid 37 and name HN) (resid 36 and name HG11) 1.8 0.0 4.2
assign (resid 37 and name HN) (resid 36 and name HG12) 1.8 0.0 3.2

assign (resid 37 and name HN) (resid 36 and name HG2#) 1.8 0.0 4.2


! assign (resid 37 and name HN) (resid 43 and name HG#) 1.8 0.0 4.2

assign (resid 37 and name HA) (resid 41 and name HN) 1.8 0.0 4.2   !add 201404








!Sat-38 or Nia-38

!intra

assign (resid 38 and name HA)  (resid 38 and name HB#) 1.8 0.0 1.7

assign (resid 38 and name HN) (resid 38 and name HA) 1.8 0.0 1.7

assign (resid 38 and name H3) (resid 38 and name H6#) 1.8 0.0 3.2   !add 201404

assign (resid 38 and name H3) (resid 38 and name HE#) 1.8 0.0 1.7   !add 201404

assign (resid 38 and name H7#) (resid 38 and name H9) 1.8 0.0 3.2   !add 201408

assign (resid 38 and name HE#) (resid 38 and name H9) 1.8 0.0 3.2   !add 201408

assign (resid 38 and name H11#) (resid 38 and name H9) 1.8 0.0 1.7   !add 201408                                                   

assign (resid 38 and name H10#) (resid 38 and name H9) 1.8 0.0 1.1   !add 201408


!inter

assign (resid 38 and name HN) (resid 37 and name HA) 1.8 0.0 1.7

assign (resid 38 and name HN) (resid 37 and name HB1) 1.8 0.0 3.2
assign (resid 38 and name HN) (resid 37 and name HB2) 1.8 0.0 3.2

! assign (resid 38 and name H6#) (resid 65 and name HN) 1.8 0.0 3.2

assign (resid 38 and name H5)(resid 65 and name HN) 1.8 0.0 4.5

assign (resid 38 and name HN) (resid 37 and name HN) 1.8 0.0 3.2

assign (resid 38 and name HN) (resid 39 and name HN) 1.8 0.0 3.2

assign (resid 38 and name HN) (resid 39 and name HA) 1.8 0.0 3.2   !add 201404

assign (resid 38 and name HN) (resid 40 and name HA#) 1.8 0.0 4.2  !add 201404

assign (resid 38 and name HA) (resid 40 and name HN) 1.8 0.0 4.2   

assign (resid 38 and name HA) (resid 41 and name HB1) 1.8 0.0 4.2  !add 201404 
assign (resid 38 and name HA) (resid 41 and name HB2) 1.8 0.0 4.2  !add 201404 

assign (resid 38 and name HA) (resid 41 and name HN) 1.8 0.0 4.2   !add 201404

assign (resid 38 and name HA) (resid 41 and name HB#) 1.8 0.0 3.2   !add 201404

assign (resid 38 and name HA) (resid 41 and name HD1#) 1.8 0.0 3.2   !add 201404

assign (resid 38 and name HE#) (resid 65 and name HN) 1.8 0.0 4.2   !add 201408

assign (resid 38 and name H10#) (resid 41 and name HN) 1.8 0.0 4.5   !add 201408 SAT'

assign (resid 38 and name H18) (resid 47 and name HB1) 1.8 0.0 4.2   ! added 20160906 Nia  
assign (resid 38 and name H18) (resid 47 and name HB2) 1.8 0.0 5.2   ! added 20160906 Nia

assign (resid 38 and name H18) (resid 48 and name HN) 1.8 0.0 4.2   ! added 20160906 Nia 

assign (resid 38 and name H18) (resid 48 and name HG) 1.8 0.0 4.2   ! added 20160906 Nia 

assign (resid 38 and name H18) (resid 72 and name HG2#) 1.8 0.0 4.5   ! added 20160906 Nia 

assign (resid 38 and name HE#) (resid 72 and name HD1#) 1.8 0.0 5.2   ! added 20160906 Nia 



!Leu-39

!intra

assign (resid 39 and name HA) (resid 39 and name HN) 1.8 0.0 1.7

assign (resid 39 and name HA) (resid 39 and name HB1) 1.8 0.0 1.1
assign (resid 39 and name HA) (resid 39 and name HB2) 1.8 0.0 1.1    

assign (resid 39 and name HA) (resid 39 and name HD2#) 1.8 0.0 1.7    
assign (resid 39 and name HD1#) (resid 39 and name HA) 1.8 0.0 1.7

assign (resid 39 and name HB1) (resid 39 and name HN) 1.8 0.0 2.5
assign (resid 39 and name HB2) (resid 39 and name HN) 1.8 0.0 2.5

assign (resid 39 and name HG) (resid 39 and name HN)  1.8 0.0 3.2

assign (resid 39 and name HB1) (resid 39 and (name HD1# or name HD2#)) 1.8 0.0 1.1     
assign (resid 39 and name HB2) (resid 39 and (name HD1# or name HD2#)) 1.8 0.0 1.1     

assign (resid 39 and (name HD1# or name HD2#)) (resid 39 and name HG) 1.8 0.0 3.2    

assign (resid 39 and name HN) (resid 39 and (name HD1# or name HD2#)) 1.8 0.0 4.2

assign (resid 39 and name HB1) (resid 39 and name HG) 1.8 0.0 1.1
assign (resid 39 and name HB2) (resid 39 and name HG) 1.8 0.0 1.1

!inter

! assign (resid 39 and name HN) (resid 37 and name HB#) 1.8 0.0 3.2
! check 20111102

!!! assign (resid 39 and name HN) (resid 37 and name HN) 1.8 0.0 4.2


assign (resid 39 and name HB#) (resid 40 and name HN) 1.8 0.0 3.2


assign (resid 39 and name HN) (resid 40 and name HN) 1.8 0.0 3.2

assign (resid 39 and name HN) (resid 38 and name HA) 1.8 0.0 1.7

assign (resid 39 and name HA) (resid 42 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 39 and name HA) (resid 43 and name HN) 1.8 0.0 4.2    !add 201404

assign (resid 39 and name HN) (resid 43 and name HN) 1.8 0.0 4.5    !add 201404

assign (resid 39 and name HN) (resid 42 and name HN) 1.8 0.0 4.2    !add 201404





!Gly-40

!intra

assign (resid 40 and name HA1) (resid 40 and name HN) 1.8 0.0 1.7
assign (resid 40 and name HA2) (resid 40 and name HN) 1.8 0.0 1.7

!inter

assign (resid 40 and name HN)  (resid 36 and name HG2#)   1.8 0.0 4.2  !add

!!assign (resid 40 and name HA1) (resid 15 and name HE#) 1.8 0.0 4.2
!!assign (resid 40 and name HA2) (resid 15 and name HE#) 1.8 0.0 4.2


assign (resid 40 and name HA1) (resid 36 and name HG2#) 1.8 0.0 4.2
assign (resid 40 and name HA2) (resid 36 and name HG2#) 1.8 0.0 4.2

assign (resid 40 and name HA1) (resid 39 and name HN) 1.8 0.0 3.2    !add 201404
assign (resid 40 and name HA2) (resid 39 and name HN) 1.8 0.0 4.2    !add 201404

assign (resid 40 and name HA1) (resid 39 and name HB#) 1.8 0.0 3.2    !add 201404
assign (resid 40 and name HA2) (resid 39 and name HB#) 1.8 0.0 3.2    !add 201404   

assign (resid 40 and name HA1) (resid 43 and name HD#) 1.8 0.0 3.2    !add 201404
assign (resid 40 and name HA2) (resid 43 and name HD#) 1.8 0.0 3.2    !add 201404

assign (resid 40 and name HN)  (resid 37 and name HN)   1.8 0.0 4.2


assign (resid 40 and name HA1) (resid 42 and name HN) 1.8 0.0 3.2    !add 201404
assign (resid 40 and name HA2) (resid 42 and name HN) 1.8 0.0 3.2    !add 201404


assign (resid 40 and name HA1) (resid 43 and name HN) 1.8 0.0 3.2    !add 201404
assign (resid 40 and name HA2) (resid 43 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 40 and name HA1) (resid 43 and name HD#) 1.8 0.0 4.2
assign (resid 40 and name HA2) (resid 43 and name HD#) 1.8 0.0 4.2

assign (resid 40 and name HN)  (resid 38 and name HN) 1.8 0.0 3.2

assign (resid 40 and name HN) (resid 39 and name HB1) 1.8 0.0 1.7
assign (resid 40 and name HN) (resid 39 and name HB2) 1.8 0.0 3.2



assign (resid 40 and name HN) (resid 39 and (name HD1# or name HD2#)) 1.8 0.0 3.2

assign (resid 40 and name HN) (resid 39 and name HA) 1.8 0.0 1.7

assign (resid 40 and name HN) (resid 39 and name HG) 1.8 0.0 3.2

assign (resid 40 and name HN)  (resid 41 and name HN) 1.8 0.0 1.1

assign (resid 40 and name HN)  (resid 41 and name HA) 1.8 0.0 4.2    !add 201404
  
assign (resid 40 and name HN)  (resid 37 and name HB#) 1.8 0.0 4.2   !add 201404


assign (resid 40 and name HN) (resid 42 and name HN) 1.8 0.0 3.2


assign (resid 40 and name HN) (resid 44 and name HN) 1.8 0.0 4.2     !add 201404




!Leu-41

!intra

assign (resid 41 and name HA) (resid 41 and name HN) 1.8 0.0 1.7

assign (resid 41 and name HA) (resid 41 and (name HD1# or name HD2#)) 1.8 0.0 1.7

assign (resid 41 and name HB#) (resid 41 and name HN) 1.8 0.0 1.7

assign (resid 41 and name HB#) (resid 41 and name HA) 1.8 0.0 1.1

assign (resid 41 and name HB#) (resid 41 and (name HD1# or name HD2#)) 1.8 0.0 1.1

assign (resid 41 and name HB#) (resid 41 and name HG) 1.8 0.0 1.1

assign (resid 41 and name HN) (resid 41 and name HG) 1.8 0.0 3.2

assign (resid 41 and (name HD1# or name HD2#)) (resid 41 and name HG) 1.8 0.0 1.1
assign (resid 41 and name HN) (resid 41 and (name HD1# or name HD2#)) 1.8 0.0 3.2

!inter

assign (resid 41 and name HA) (resid 36 and name HG2#) 1.8 0.0 3.2

assign (resid 41 and name HN) (resid 36 and name HG2#) 1.8 0.0 3.2


assign (resid 41 and name HN) (resid 37 and name HN)   1.8 0.0 4.2


assign (resid 41 and name HN)  (resid 39 and (name HD1# or name HD2#)) 1.8 0.0 3.2

!!assign (resid 41 and (name HD1# or name HD2#)) (resid 39 and name HA)  1.8 0.0 4.2

assign (resid 41 and name HN) (resid 39 and name HA)   1.8 0.0 3.2

assign (resid 41 and name HN)  (resid 39 and name HN)  1.8 0.0 3.2


assign (resid 41 and name HN) (resid 40 and name HA1) 1.8 0.0 1.1
assign (resid 41 and name HN) (resid 40 and name HA2) 1.8 0.0 1.7


assign (resid 41 and name HN)  (resid 42 and name HN) 1.8 0.0 1.7

assign (resid 41 and name HB#) (resid 42 and name HN) 1.8 0.0 2.5   ! double emerge

assign (resid 41 and (name HD1# or name HD2#)) (resid 42 and name HA) 1.8 0.0 3.2

assign (resid 41 and (name HD1# or name HD2#)) (resid 42 and name HG) 1.8 0.0 4.5

! !assign (resid 41 and name HN)  (resid 42 and name HG) 1.8 0.0 4.2
! violated 20110920

assign (resid 41 and name HA)  (resid 44 and name HG#) 1.8 0.0 1.7    !HG2#

assign (resid 41 and name HA)  (resid 44 and name HN) 1.8 0.0 3.2    !add 201404   


assign (resid 41 and name HA)  (resid 44 and name HB) 1.8 0.0 3.2    !add 201404


!assign (resid 41 and name HB#) (resid 45 and name HD1#) 1.8 0.0 3.2

assign (resid 41 and name HG)  (resid 45 and name HD1#) 1.8 0.0 3.2


!assign (resid 41 and (name HD1# or name HD2#)) (resid 66 and name HE#) 1.8 0.0 3.2

assign (resid 41 and name HD1#)  (resid 61 and name HB1) 1.8 0.0 4.2    !add 201404
assign (resid 41 and name HD1#)  (resid 61 and name HB2) 1.8 0.0 4.2    !add 201404

assign (resid 41 and name HN)  (resid 43 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 41 and name HD1#)  (resid 66 and name HD#1) 1.8 0.0 4.2    !add 201404
assign (resid 41 and name HD1#)  (resid 66 and name HE#1) 1.8 0.0 4.2    !add 201404

assign (resid 41 and name HD1#)  (resid 66 and name HB#) 1.8 0.0 4.2    !add 201405


!Leu-42

!intra

assign (resid 42 and name HA)  (resid 42 and name HN)  1.8 0.0 1.7

assign (resid 42 and name HA) (resid 42 and name HD1#) 1.8 0.0 3.2
assign (resid 42 and name HD2#) (resid 42 and name HA) 1.8 0.0 3.2

assign (resid 42 and name HB1) (resid 42 and name HA) 1.8 0.0 1.7
assign (resid 42 and name HB2) (resid 42 and name HA) 1.8 0.0 1.7

assign (resid 42 and name HB1) (resid 42 and name HN) 1.8 0.0 1.7
assign (resid 42 and name HB2) (resid 42 and name HN) 1.8 0.0 1.7

assign (resid 42 and name HG)  (resid 42 and name HA)    1.8 0.0 1.7

assign (resid 42 and name HG)  (resid 42 and name HB#)   1.8 0.0 1.7

assign (resid 42 and name HG)  (resid 42 and name HD2#)  1.8 0.0 1.7
assign (resid 42 and name HG)  (resid 42 and name HD1#)  1.8 0.0 1.1

assign (resid 42 and name HG)  (resid 42 and name HN)    1.8 0.0 3.2

assign (resid 42 and name HB1) (resid 42 and name HD1#) 1.8 0.0 1.1
assign (resid 42 and name HB2) (resid 42 and name HD1#) 1.8 0.0 1.7
assign (resid 42 and name HB1) (resid 42 and name HD2#) 1.8 0.0 1.1
assign (resid 42 and name HB2) (resid 42 and name HD2#) 1.8 0.0 1.1

!assign (resid 42 and name HN) (resid 42 and name HD1#)  1.8 0.0 3.2
!assign (resid 42 and name HN) (resid 42 and name HD2#)  1.8 0.0 3.2


!inter

assign (resid 42 and name HB2) (resid 39 and name HA)  1.8 0.0 4.2
assign (resid 42 and name HB1) (resid 39 and name HA)  1.8 0.0 4.2    ! manual add



assign (resid 42 and name HN) (resid 41 and name HA) 1.8 0.0 1.7

assign (resid 42 and name HN) (resid 41 and (name HD1# or name HD2#)) 1.8 0.0 3.2

! assign (resid 42 and name HN) (resid 43 and name HA) 1.8 0.0 3.5
! check 20111102

assign (resid 42 and name HB#) (resid 43 and name HN)  1.8 0.0 3.2    ! HB2

! assign (resid 42 and name HN) (resid 44 and name HB) 1.8 0.0 3.2
! check 20111102

assign (resid 42 and name HN)  (resid 43 and name HN) 1.8 0.0 1.7

assign (resid 42 and name HN) (resid 44 and name HN) 1.8 0.0 3.2


!ssign(resid 42 and name HA) (resid 45 and name HB)   1.8 0.0 3.2   ! double emerge

assign (resid 42 and name HA) (resid 45 and name HD1#)  1.8 0.0 4.2

assign (resid 42 and name HA) (resid 45 and name HG2#) 1.8 0.0 4.2


assign (resid 42 and name HD#) (resid 43 and name HA)  1.8 0.0 3.2

assign (resid 42 and name HB#) (resid 43 and name HA)  1.8 0.0 3.2    !add 201404

assign (resid 42 and name HN) (resid 43 and name HN)  1.8 0.0 3.2     !add 201404

assign (resid 42 and name HN) (resid 44 and name HN)  1.8 0.0 4.2     !add 201404






!Lys-43

!intra

assign (resid 43 and name HA)  (resid 43 and name HN)  1.8 0.0 1.1

assign (resid 43 and name HA)  (resid 43 and name HB1) 1.8 0.0 1.1
assign (resid 43 and name HA)  (resid 43 and name HB2) 1.8 0.0 1.1

assign (resid 43 and name HA)  (resid 43 and name HG1) 1.8 0.0 3.2
assign (resid 43 and name HA)  (resid 43 and name HG2) 1.8 0.0 3.2

assign (resid 43 and name HB1) (resid 43 and name HN)  1.8 0.0 1.7    
assign (resid 43 and name HB2) (resid 43 and name HN)  1.8 0.0 1.7

assign (resid 43 and name HB1) (resid 43 and name HG1) 1.8 0.0 1.7
assign (resid 43 and name HB1) (resid 43 and name HG2) 1.8 0.0 1.7
assign (resid 43 and name HB2) (resid 43 and name HG1) 1.8 0.0 1.7
assign (resid 43 and name HB2) (resid 43 and name HG2) 1.8 0.0 1.7    

assign (resid 43 and name HD#) (resid 43 and name HA)  1.8 0.0 3.2

assign (resid 43 and name HD#) (resid 43 and name HB1) 1.8 0.0 1.7
assign (resid 43 and name HB2) (resid 43 and name HD#) 1.8 0.0 1.7

assign (resid 43 and name HN)  (resid 43 and name HG1) 1.8 0.0 3.2
assign (resid 43 and name HN)  (resid 43 and name HG2) 1.8 0.0 3.2

assign (resid 43 and name HD#) (resid 43 and name HE#) 1.8 0.0 1.1

assign (resid 43 and name HE#) (resid 43 and name HB2) 1.8 0.0 3.2
assign (resid 43 and name HE#) (resid 43 and name HB1) 1.8 0.0 3.2


assign (resid 43 and name HE#) (resid 43 and name HG1) 1.8 0.0 1.7
assign (resid 43 and name HE#) (resid 43 and name HG2) 1.8 0.0 1.7

assign (resid 43 and name HN) (resid 43 and name HD#) 1.8 0.0 3.2   ! strength unsure

assign (resid 43 and name HN) (resid 43 and name HE#) 1.8 0.0 3.2   ! strength unsure

!inter

!assign (resid 43 and name HD#) (resid 14 and name HG#) 1.8 0.0 4.2  !Key
! violated 20110920


!!!assign (resid 43 and name HD#) (resid 14 and name HB#) 1.8 0.0 4.2
! violated 20110920

! !assign (resid 43 and name HE#) (resid 14 and name HG#) 1.8 0.0 4.2    
! violated 20110920


!!assign (resid 43 and name HB#) (resid 40 and name HA#) 1.8 0.0 3.2
assign (resid 43 and name HB2) (resid 40 and name HA2) 1.8 0.0 3.2    ! this is certain


assign (resid 43 and name HN) (resid 44 and name HN) 1.8 0.0 1.1

assign (resid 43 and name HN) (resid 41 and name HA) 1.8 0.0 4.2


assign (resid 43 and name HN) (resid 42 and name HB1) 1.8 0.0 3.2
assign (resid 43 and name HN) (resid 42 and name HB2) 1.8 0.0 3.2

assign (resid 43 and name HN) (resid 42 and name HA) 1.8 0.0 3.2

assign (resid 43 and name HN) (resid 42 and name HG) 1.8 0.0 3.2


assign (resid 43 and name HN) (resid 42 and name HD1#) 1.8 0.0 3.2
assign (resid 43 and name HN) (resid 42 and name HD2#) 1.8 0.0 3.2

! assign (resid 43 and name HB#) (resid 42 and name HB#) 1.8 0.0 3.2
! check 20111102

assign (resid 43 and name HN) (resid 41 and name HA) 1.8 0.0 3.2     !add 201404

assign (resid 43 and name HN) (resid 46 and name HB#) 1.8 0.0 4.2     !add 201404







!Val-44

!intra

assign (resid 44 and name HA) (resid 44 and name HN) 1.8 0.0 3.2    ! need HN NOE

assign (resid 44 and name HB) (resid 44 and name HA) 1.8 0.0 1.7

assign (resid 44 and name HA) (resid 44 and name HG2#) 1.8 0.0 1.7
assign (resid 44 and name HG1#) (resid 44 and name HA) 1.8 0.0 1.7

assign (resid 44 and name HB) (resid 44 and name HN) 1.8 0.0 1.7

assign (resid 44 and name HB) (resid 44 and name HG1#) 1.8 0.0 1.1
assign (resid 44 and name HG2#) (resid 44 and name HB) 1.8 0.0 1.1

assign (resid 44 and name HG1#) (resid 44 and name HN) 1.8 0.0 3.2
assign (resid 44 and name HG2#) (resid 44 and name HN) 1.8 0.0 1.1

!inter

assign (resid 44 and name HA) (resid 47 and name HE1) 1.8 0.0 5.2

assign (resid 44 and (name HG1# or name HG2#)) (resid 43 and name HB2) 1.8 0.0 3.2
assign (resid 44 and (name HG1# or name HG2#)) (resid 43 and name HB1) 1.8 0.0 3.2

! assign (resid 44 and name HA) (resid 43 and name HB#) 1.8 0.0 3.2
! check 20111102

assign (resid 44 and name HB) (resid 45 and name HN) 1.8 0.0 1.7    ! double emerge


assign (resid 44 and (name HG1# or name HG2#)) (resid 47 and name HE3) 1.8 0.0 3.2

assign (resid 44 and (name HG1# or name HG2#)) (resid 47 and name HH2) 1.8 0.0 4.2

assign (resid 44 and name HA) (resid 47 and name HB#) 1.8 0.0 3.2    !HB2

assign (resid 44 and name HA) (resid 47 and name HH2) 1.8 0.0 5.2     !add 201404

assign (resid 44 and name HA) (resid 45 and name HN) 1.8 0.0 3.2     !add 201404

assign (resid 44 and name HA) (resid 47 and name HN) 1.8 0.0 3.2     !add 201404

assign (resid 44 and name HN) (resid 46 and name HN) 1.8 0.0 3.2     !add 201404

assign (resid 44 and name HN) (resid 47 and name HN) 1.8 0.0 3.2     !add 201404

assign (resid 44 and name HA) (resid 45 and name HD1#) 1.8 0.0 3.2     !add 201404

assign (resid 44 and name HA) (resid 48 and name HN) 1.8 0.0 3.2     !add 201404




!Ile-45

!intra


assign (resid 45 and name HA) (resid 45 and name HB) 1.8 0.0 1.7

assign (resid 45 and name HA) (resid 45 and name HN) 1.8 0.0 1.3

assign (resid 45 and name HB) (resid 45 and name HN)   1.8 0.0 1.7

assign (resid 45 and name HB)   (resid 45 and name HG12) 1.8 0.0 1.7
assign (resid 45 and name HG11) (resid 45 and name HB) 1.8 0.0 3.2

assign (resid 45 and name HD1#) (resid 45 and name HA) 1.8 0.0 3.2

assign (resid 45 and name HG11) (resid 45 and name HA) 1.8 0.0 3.2
assign (resid 45 and name HG12) (resid 45 and name HA) 1.8 0.0 3.2


assign (resid 45 and name HG2#) (resid 45 and name HG11) 1.8 0.0 1.7
assign (resid 45 and name HG2#) (resid 45 and name HG12) 1.8 0.0 1.7

assign (resid 45 and name HG1#) (resid 45 and name HN) 1.8 0.0 1.7   ! only HG12

assign (resid 45 and name HN) (resid 45 and name HG2#) 1.8 0.0 1.7

assign (resid 45 and name HG11) (resid 45 and name HD1#) 1.8 0.0 1.1
assign (resid 45 and name HG12) (resid 45 and name HD1#) 1.8 0.0 1.1

assign (resid 45 and name HG1#) (resid 45 and name HN) 1.8 0.0 3.2    ! HG11

assign (resid 45 and name HG2#) (resid 45 and name HA) 1.8 0.0 1.7

assign (resid 45 and name HG2#) (resid 45 and name HB) 1.8 0.0 1.1



assign (resid 45 and name HN) (resid 45 and name HD1#) 1.8 0.0 1.7

assign (resid 45 and name HG2#) (resid 45 and name HN) 1.8 0.0 3.2

assign (resid 45 and name HN) (resid 47 and name HN) 1.8 0.0 3.2     !add 201404

assign (resid 45 and name HN) (resid 43 and name HN) 1.8 0.0 3.2     !add 201404

assign (resid 45 and name HN) (resid 42 and name HA) 1.8 0.0 3.2     !add 201404

assign (resid 45 and name HN) (resid 47 and name HE3) 1.8 0.0 4.2     !add 201404




!inter

!!!assign (resid 45 and name HN) (resid 43 and name HA) 1.8 0.0 3.2

!assign (resid 45 and name HD1#) (resid 43 and name HA)  1.8 0.0 3.2


!assign (resid 45 and name HA) (resid 44 and name HN) 1.8 0.0 4.2

! assign (resid 45 and name HB) (resid 44 and name HA) 1.8 0.0 4.2    
! check 20111102

assign (resid 45 and name HN) (resid 44 and name HA) 1.8 0.0 1.7

assign (resid 45 and name HN) (resid 44 and name HN) 1.8 0.0 1.7


assign (resid 45 and name HG2#) (resid 49 and (name HG# or name HB#)) 1.8 0.0 3.2


assign (resid 45 and name HB) (resid 46 and name HN)   1.8 0.0 3.2     

assign (resid 45 and name HG2#) (resid 46 and name HN) 1.8 0.0 3.2

!!!assign (resid 45 and name HN) (resid 46 and name HB#) 1.8 0.0 3.2

assign (resid 45 and name HN) (resid 46 and name HN) 1.8 0.0 1.7

assign (resid 45 and name HD1#) (resid 41 and name HG)  1.8 0.0 3.2


!!!assign (resid 45 and name HG2#) (resid 56 and name HA) 1.8 0.0 4.2     

!!!assign (resid 45 and name HG2#) (resid 56 and name HB#) 1.8 0.0 3.2


assign (resid 45 and name HD1#) (resid 61 and (name HD1# or name HD2#)) 1.8 0.0 4.2   


assign (resid 45 and name HA) (resid 48 and name HB1) 1.8 0.0 3.2    !add 201404
assign (resid 45 and name HA) (resid 48 and name HB2) 1.8 0.0 3.2    !add 201404

assign (resid 45 and name HA) (resid 46 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 45 and name HA) (resid 47 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 45 and name HA) (resid 48 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 45 and name HA) (resid 49 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 45 and name HD1#) (resid 56 and name HB#) 1.8 0.0 3.2    !add 201405





!Ala-46

!intra

assign (resid 46 and name HA) (resid 46 and name HN) 1.8 0.0 1.7

assign (resid 46 and name HA) (resid 46 and name HB#) 1.8 0.0 1.1

assign (resid 46 and name HB#) (resid 46 and name HN) 1.8 0.0 1.7

!inter

assign (resid 46 and name HN) (resid 45 and name HD1#) 1.8 0.0 3.2

assign (resid 46 and name HN) (resid 45 and name HG1#) 1.8 0.0 3.2   !HG12

assign (resid 46 and name HN) (resid 45 and name HA)  1.8 0.0 3.2


! assign (resid 46 and name HN) ((resid 43 and name HB# or resid 44 and name HB ))  1.8 0.0 3.2
! check 20111102

! assign (resid 46 and name HN) (resid 47 and name HB#)  1.8 0.0 3.2
! check 20111102

assign (resid 46 and name HA) (resid 49 and name HB1)  1.8 0.0 3.2    !add 201404
assign (resid 46 and name HA) (resid 49 and name HB2)  1.8 0.0 4.2    !add 201404

assign (resid 46 and name HA) (resid 49 and name HN)  1.8 0.0 3.2    !add 201404

assign (resid 46 and name HA) (resid 47 and name HN)  1.8 0.0 3.2    !add 201404



assign (resid 46 and name HB#) (resid 44 and (name HG1# or name HG2#)) 1.8 0.0 4.2


assign (resid 46 and name HA) (resid 49 and name HG#) 1.8 0.0 3.2







!Trp-47

!intra

assign (resid 47 and name HA) (resid 47 and name HN)  1.8 0.0 1.7

assign (resid 47 and name HA) (resid 47 and name HB1) 1.8 0.0 1.7
assign (resid 47 and name HB2) (resid 47 and name HA) 1.8 0.0 1.7

assign (resid 47 and name HA) (resid 47 and name HE3) 1.8 0.0 3.2

assign (resid 47 and name HE1) (resid 47 and name HA) 1.8 0.0 4.2

assign (resid 47 and name HB1) (resid 47 and name HN) 1.8 0.0 1.7
assign (resid 47 and name HB2) (resid 47 and name HN) 1.8 0.0 1.7

assign (resid 47 and name HB#) (resid 47 and name HE1) 1.8 0.0 3.2   


!inter

! assign (resid 47 and name HE1) (resid 43 and name HB#) 1.8 0.0 4.2  
! 20111101

assign (resid 47 and name HN) (resid 48 and (name HD2# or name HD1#)) 1.8 0.0 3.5

assign (resid 47 and name HN) (resid 48 and name HN) 1.8 0.0 1.1

assign (resid 47 and name HN) (resid 49 and name HN) 1.8 0.0 3.2    !add 201404



assign (resid 47 and name HN) (resid 46 and name HB#)  1.8 0.0 1.7

assign (resid 47 and name HN) (resid 46 and name HN) 1.8 0.0 1.1


assign (resid 47 and name HA) (resid 50 and name HB1) 1.8 0.0 1.7
assign (resid 47 and name HA) (resid 50 and name HB2) 1.8 0.0 1.7



assign (resid 47 and name HE1) (resid 51 and name HB1) 1.8 0.0 4.2
assign (resid 47 and name HE1) (resid 51 and name HB2) 1.8 0.0 3.2

assign (resid 47 and name HE1) (resid 51 and name HD1) 1.8 0.0 4.2
assign (resid 47 and name HE1) (resid 51 and name HD2) 1.8 0.0 4.2

assign (resid 47 and name HE1) (resid 51 and name HG1) 1.8 0.0 3.2
assign (resid 47 and name HE1) (resid 51 and name HG2) 1.8 0.0 3.2







!Leu

!intra

assign (resid 48 and name HA) (resid 48 and name HB1) 1.8 0.0 1.7
assign (resid 48 and name HA) (resid 48 and name HB2) 1.8 0.0 1.7

assign (resid 48 and name HA) (resid 48 and name HN)  1.8 0.0 1.7

assign (resid 48 and name HB2) (resid 48 and name HN) 1.8 0.0 1.7
assign (resid 48 and name HB1) (resid 48 and name HN) 1.8 0.0 1.7

assign (resid 48 and name HD#) (resid 48 and name HB1) 1.8 0.0 1.7
assign (resid 48 and name HD#) (resid 48 and name HB2) 1.8 0.0 1.7

assign (resid 48 and name HB1) (resid 48 and name HD1#) 1.8 0.0 1.1
assign (resid 48 and name HB2) (resid 48 and name HD2#) 1.8 0.0 1.1     


assign (resid 48 and name HB2) (resid 48 and name HG)   1.8 0.0 1.1     
assign (resid 48 and name HG)  (resid 48 and name HB1)  1.8 0.0 1.1     

assign (resid 48 and name HN) (resid 48 and name HG)   1.8 0.0 3.2

assign (resid 48 and name HD1#) (resid 48 and name HA) 1.8 0.0 1.7
assign (resid 48 and name HD2#) (resid 48 and name HA) 1.8 0.0 3.2

assign (resid 48 and name HD1#) (resid 48 and name HG) 1.8 0.0 1.1
assign (resid 48 and name HD2#) (resid 48 and name HG) 1.8 0.0 1.1

assign (resid 48 and name HN) (resid 48 and (name HD2# or name HD1#)) 1.8 0.0 1.7

assign (resid 48 and name HG) (resid 48 and name HA) 1.8 0.0 3.2

!inter

!assign (resid 48 and name HD#) (resid 7 and name HD1#) 1.8 0.0 3.5


assign (resid 48 and name HA) (resid 10 and name HE#) 1.8 0.0 4.5


assign (resid 48 and name HA) (resid 10 and name HZ) 1.8 0.0 4.2


assign (resid 48 and name HB2) (resid 45 and name HA) 1.8 0.0 3.2
assign (resid 48 and name HB1) (resid 45 and name HA) 1.8 0.0 3.2

assign (resid 48 and name HN) (resid 45 and name HA) 1.8 0.0 3.2

assign (resid 48 and name HD#) (resid 47 and name HE3) 1.8 0.0 3.2    !HD2#
assign (resid 48 and name HD#) (resid 47 and name HZ3) 1.8 0.0 4.2

assign (resid 48 and name HA) (resid 47 and name HE3) 1.8 0.0 3.2    !add 201404 

assign (resid 48 and name HA) (resid 50 and name HB#) 1.8 0.0 3.2    !add 201404

assign (resid 48 and name HN) (resid 47 and name HB#) 1.8 0.0 1.7

assign (resid 48 and name HN) (resid 47 and name HA) 1.8 0.0 3.2

assign (resid 48 and name HN) (resid 50 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 48 and name HN) (resid 51 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 48 and name HN) (resid 49 and name HN) 1.8 0.0 1.7

assign (resid 48 and name HA) (resid 51 and name HB#) 1.8 0.0 3.2

assign (resid 48 and name HA) (resid 51 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 48 and name HA) (resid 51 and name HD#) 1.8 0.0 3.2    !add 201404





!Leu-49

!intra

assign (resid 49 and name HA) (resid 49 and name HN) 1.8 0.0 1.7

assign (resid 49 and name HA) (resid 49 and name HB2) 1.8 0.0 1.7
assign (resid 49 and name HB1) (resid 49 and name HA) 1.8 0.0 1.7

assign (resid 49 and name HG1) (resid 49 and name HB1) 1.8 0.0 1.1
assign (resid 49 and name HG2) (resid 49 and name HB1) 1.8 0.0 1.1
assign (resid 49 and name HG1) (resid 49 and name HB2) 1.8 0.0 1.1
assign (resid 49 and name HG2) (resid 49 and name HB2) 1.8 0.0 1.1

assign (resid 49 and name HG1) (resid 49 and name HA)  1.8 0.0 1.7
assign (resid 49 and name HG2) (resid 49 and name HA)  1.8 0.0 3.2

assign (resid 49 and name HB1) (resid 49 and name HN)  1.8 0.0 1.7
assign (resid 49 and name HN) (resid 49 and name HB2) 1.8 0.0 1.7

assign (resid 49 and name HG1) (resid 49 and name HN)  1.8 0.0 3.2
assign (resid 49 and name HG2) (resid 49 and name HN)  1.8 0.0 3.2

!inter

!!!assign (resid 49 and name HG#) (resid 45 and name HG1#) 1.8 0.0 4.2    !HG2#
!!!assign (resid 49 and name HG#) (resid 45 and name HG2#) 1.8 0.0 4.2

assign (resid 49 and name HN) (resid 47 and name HA) 1.8 0.0 3.2


assign (resid 49 and name HN) (resid 48 and name HA) 1.8 0.0 3.2

assign (resid 49 and name HN) (resid 48 and name HB#) 1.8 0.0 3.2

assign (resid 49 and name HN) (resid 48 and name HD#) 1.8 0.0 3.2



! assign (resid 49 and name HN) (resid 50 and name HB#) 1.8 0.0 3.2
! check 20111102

!!!assign (resid 49 and name HA) (resid 54 and name HB)   1.8 0.0 3.2   ! double emerge


assign (resid 49 and name HA) (resid 54 and name HG1#) 1.8 0.0 4.2

assign (resid 49 and name HA) (resid 54 and name HN) 1.8 0.0 3.2


assign (resid 49 and name HB1) (resid 56 and name HA) 1.8 0.0 3.2
assign (resid 49 and name HB2) (resid 56 and name HA) 1.8 0.0 3.2


assign (resid 49 and name HN) (resid 50 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 49 and name HN) (resid 51 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 49 and name HN) (resid 52 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 49 and name HA) (resid 52 and name HN) 1.8 0.0 3.2    !add 201404






!Asp-50

!intra

assign (resid 50 and name HA) (resid 50 and name HN) 1.8 0.0 1.7


assign (resid 50 and name HB1) (resid 50 and name HN) 1.8 0.0 1.7
assign (resid 50 and name HB2) (resid 50 and name HN) 1.8 0.0 1.7

assign (resid 50 and name HA) (resid 50 and name HB1) 1.8 0.0 1.1   ! double emerge
assign (resid 50 and name HA) (resid 50 and name HB2) 1.8 0.0 1.1

!inter

assign (resid 50 and name HN) (resid 49 and name HB2) 1.8 0.0 3.2
assign (resid 50 and name HN) (resid 49 and name HB1) 1.8 0.0 3.2

assign (resid 50 and name HB2) (resid 51 and name HN) 1.8 0.0 3.2   !double emerge
assign (resid 50 and name HB1) (resid 51 and name HN) 1.8 0.0 1.7

assign (resid 50 and name HA) (resid 51 and name HN) 1.8 0.0 3.2    !add 201404 

assign (resid 50 and name HN) (resid 49 and name HA) 1.8 0.0 3.2    !add 201404 






!Arg-51

!intra

!assign (resid 51 and name HA) (resid 51 and name HB1) 1.8 0.0 1.7
!assign (resid 51 and name HA) (resid 51 and name HB2) 1.8 0.0 1.1

assign (resid 51 and name HA) (resid 51 and name HN)  1.8 0.0 1.7

assign (resid 51 and name HB1) (resid 51 and name HG1) 1.8 0.0 1.7
assign (resid 51 and name HB2) (resid 51 and name HG1) 1.8 0.0 1.7
assign (resid 51 and name HG2) (resid 51 and name HB2) 1.8 0.0 1.7
assign (resid 51 and name HG2) (resid 51 and name HB1) 1.8 0.0 1.7

assign (resid 51 and name HB1) (resid 51 and name HN) 1.8 0.0 1.7
assign (resid 51 and name HB2) (resid 51 and name HN) 1.8 0.0 1.7


assign (resid 51 and name HA)  (resid 51 and name HD1) 1.8 0.0 3.2
assign (resid 51 and name HA)  (resid 51 and name HD2) 1.8 0.0 3.2


assign (resid 51 and name HD1) (resid 51 and name HG1) 1.8 0.0 3.2
assign (resid 51 and name HD2) (resid 51 and name HG1) 1.8 0.0 3.2
assign (resid 51 and name HD1) (resid 51 and name HG2) 1.8 0.0 3.2
assign (resid 51 and name HD2) (resid 51 and name HG1) 1.8 0.0 3.2

assign (resid 51 and name HA)  (resid 51 and name HG1) 1.8 0.0 3.2
assign (resid 51 and name HG2) (resid 51 and name HA)  1.8 0.0 3.2

assign (resid 51 and name HB1) (resid 51 and name HD1) 1.8 0.0 3.2
assign (resid 51 and name HB2) (resid 51 and name HD1) 1.8 0.0 3.2
assign (resid 51 and name HB2) (resid 51 and name HD2) 1.8 0.0 3.2
assign (resid 51 and name HB1) (resid 51 and name HD2) 1.8 0.0 3.2    

assign (resid 51 and name HN) (resid 51 and name HG1) 1.8 0.0 3.2
assign (resid 51 and name HN) (resid 51 and name HG2) 1.8 0.0 3.2

assign (resid 51 and name HE) (resid 51 and name HG1) 1.8 0.0 3.2
assign (resid 51 and name HE) (resid 51 and name HG2) 1.8 0.0 3.2

assign (resid 51 and name HN) (resid 51 and name HD1) 1.8 0.0 4.2
assign (resid 51 and name HN) (resid 51 and name HD2) 1.8 0.0 4.2

assign (resid 51 and name HE) (resid 51 and name HD1) 1.8 0.0 1.7
assign (resid 51 and name HE) (resid 51 and name HD2) 1.8 0.0 1.7


!inter


assign (resid 51 and name HH#) (resid 6 and (name HG1# or name HG2#)) 1.8 0.0 3.5  !Key  
! violated 20110920

assign (resid 51 and name HN) (resid 50 and name HN) 1.8 0.0 1.1

assign (resid 51 and name HN) (resid 50 and name HA) 1.8 0.0 1.7   


assign (resid 51 and name HN) (resid 48 and name HA) 1.8 0.0 3.2


assign (resid 51 and name HN) (resid 52 and name HN) 1.8 0.0 1.1





!Phe-52

!intra

assign (resid 52 and name HB#) (resid 52 and name HA) 1.8 0.0 1.7

assign (resid 52 and name HN)  (resid 52 and name HA)  1.8 0.0 1.7

assign (resid 52 and name HN) (resid 52 and name HB1) 1.8 0.0 1.7
assign (resid 52 and name HN) (resid 52 and name HB2) 1.8 0.0 1.7

!inter

assign (resid 52 and name HN) (resid 48 and name HA) 1.8 0.0 4.2


assign (resid 52 and name HN)  (resid 51 and name HB1) 1.8 0.0 1.7
assign (resid 52 and name HN)  (resid 51 and name HB2) 1.8 0.0 3.2

assign (resid 52 and name HN)  (resid 51 and name HA) 1.8 0.0 3.2


assign (resid 52 and name HN) (resid 53 and name HA#) 1.8 0.0 3.2


assign (resid 52 and name HB1) (resid 54 and name HD1#) 1.8 0.0 3.2
assign (resid 52 and name HB2) (resid 54 and name HD1#) 1.8 0.0 3.2

assign (resid 52 and name HB1) (resid 54 and name HG1#) 1.8 0.0 1.7
assign (resid 52 and name HB2) (resid 54 and name HG1#) 1.8 0.0 3.2
assign (resid 52 and name HB1) (resid 54 and name HG2#) 1.8 0.0 3.2
assign (resid 52 and name HB2) (resid 54 and name HG2#) 1.8 0.0 4.2

assign (resid 52 and name HN) (resid 54 and name HN)  1.8 0.0 3.2


assign (resid 52 and name HB#) (resid 76 and (name HG1# or name HG2#)) 1.8 0.0 4.2  !Key
! violated 20110923


assign (resid 52 and name HB1) (resid 80 and name HG2#) 1.8 0.0 3.2
assign (resid 52 and name HB2) (resid 80 and name HG2#) 1.8 0.0 3.2







!Gly-53

!intra

assign (resid 53 and name HA#) (resid 53 and name HN) 1.8 0.0 1.7

!inter

assign (resid 53 and name HN) (resid 54 and name HA) 1.8 0.0 3.5

assign (resid 53 and name HN) (resid 52 and name HB1) 1.8 0.0 3.2
assign (resid 53 and name HN) (resid 52 and name HB2) 1.8 0.0 3.2

assign (resid 53 and name HN) (resid 51 and name HB#) 1.8 0.0 4.2  !new

assign (resid 53 and name HN) (resid 51 and name HN) 1.8 0.0 3.2






!Ile-54

!intra

assign (resid 54 and name HB) (resid 54 and name HA) 1.8 0.0 1.7

assign (resid 54 and name HA) (resid 54 and name HN) 1.8 0.0 3.2

assign (resid 54 and name HG1#) (resid 54 and name HA) 1.8 0.0 1.7

assign (resid 54 and name HA) (resid 54 and name HG2#) 1.8 0.0 1.7

assign (resid 54 and name HG1#) (resid 54 and name HB) 1.8 0.0 1.7

assign (resid 54 and name HG2#) (resid 54 and name HB) 1.8 0.0 1.1

assign (resid 54 and name HN) (resid 54 and name HG2#)1.8 0.0 3.2

assign (resid 54 and name HG1#) (resid 54 and name HN) 1.8 0.0 1.7

assign (resid 54 and name HB) (resid 54 and name HD1#) 1.8 0.0 1.1

assign (resid 54 and name HB) (resid 54 and name HN) 1.8 0.0 3.2

assign (resid 54 and name HB) (resid 54 and name HG1#) 1.8 0.0 1.1
assign (resid 54 and name HB) (resid 54 and name HG2#) 1.8 0.0 1.1

assign (resid 54 and name HD1#) (resid 54 and name HG1#) 1.8 0.0 1.1

assign (resid 54 and name HN) (resid 54 and name HD1#) 1.8 0.0 1.7

assign (resid 54 and name HD1#) (resid 54 and name HA) 1.8 0.0 2.5

assign (resid 54 and name HG1#) (resid 54 and name HG2#) 1.8 0.0 1.1



!inter

assign (resid 54 and name HD1#) (resid 48 and name HB#) 1.8 0.0 3.2     


assign (resid 54 and name HN)  (resid 49 and name HB#) 1.8 0.0 3.5


assign (resid 54 and name HD1#) (resid 52 and name HB1) 1.8 0.0 1.7
assign (resid 54 and name HD1#) (resid 52 and name HB2) 1.8 0.0 1.7

assign (resid 54 and name HN) (resid 52 and name HB1) 1.8 0.0 3.2
assign (resid 54 and name HN) (resid 52 and name HB2) 1.8 0.0 3.2


assign (resid 54 and name HN) (resid 53 and name HN) 1.8 0.0 1.1


assign (resid 54 and name HA) (resid 55 and name HN) 1.8 0.0 1.1

assign (resid 54 and name HN) (resid 55 and name HN) 1.8 0.0 3.2

assign (resid 54 and name HD#) (resid 76 and name HA) 1.8 0.0 4.2


!!!assign (resid 54 and name HG2#) (resid 88 and name HB#) 1.8 0.0 4.2








!ALa-55

!intra

assign (resid 55 and name HA) (resid 55 and name HB#) 1.8 0.0 1.1

assign (resid 55 and name HA) (resid 55 and name HN)  1.8 0.0 1.7

assign (resid 55 and name HB#) (resid 55 and name HN) 1.8 0.0 1.7

!inter

assign (resid 55 and name HA) (resid 49 and name HB#) 1.8 0.0 3.2      

assign (resid 55 and name HN) (resid 49 and name HB#) 1.8 0.0 3.2      


assign (resid 55 and name HN) (resid 53 and name HA#) 1.8 0.0 4.2     


!!!assign (resid 55 and name HB#) (resid 54 and name HA) 1.8 0.0 3.2

assign (resid 55 and name HN) (resid 54 and name HA)  1.8 0.0 3.2


assign (resid 55 and name HA) (resid 56 and name HN)  1.8 0.0 3.2

assign (resid 55 and name HN) (resid 56 and name HN)  1.8 0.0 4.2

assign (resid 55 and name HN) (resid 56 and name HB#) 1.8 0.0 4.2

assign (resid 55 and name HN) (resid 56 and name HA) 1.8 0.0 4.2







!Ala-56

!intra

assign (resid 56 and name HA) (resid 56 and name HB#) 1.8 0.0 1.1

assign (resid 56 and name HA) (resid 56 and name HN) 1.8 0.0 1.7

assign (resid 56 and name HB#) (resid 56 and name HN) 1.8 0.0 3.2

!inter

assign (resid 56 and name HA) (resid 57 and name HN) 1.8 0.0 1.7

assign (resid 56 and name HN) (resid 45 and name HG2#) 1.8 0.0 3.2





!Asp-57

!intra

assign (resid 57 and name HA) (resid 57 and name HN) 1.8 0.0 1.7

assign (resid 57 and name HA) (resid 57 and name HB1) 1.8 0.0 1.1
assign (resid 57 and name HA) (resid 57 and name HB2) 1.8 0.0 1.1

assign (resid 57 and name HN) (resid 57 and name HB1) 1.8 0.0 3.2
assign (resid 57 and name HN) (resid 57 and name HB2) 1.8 0.0 1.7

!inter

!!!assign (resid 57 and name HA) (resid 58 and name HN)  1.8 0.0 1.7

assign (resid 57 and name HN) (resid 58 and name HN)  1.8 0.0 1.1

assign (resid 57 and name HN) (resid 58 and name HA)  1.8 0.0 4.2

assign (resid 57 and name HN) (resid 58 and name HB#) 1.8 0.0 3.2


assign (resid 57 and name HN) (resid 56 and name HB#) 1.8 0.0 1.7

assign (resid 57 and name HN) (resid 56 and name HN) 1.8 0.0 1.7


assign (resid 57 and name HN) (resid 59 and (name HG1# or name HG2#)) 1.8 0.0 5.2





!Asp-58

!intra

assign (resid 58 and name HB1) (resid 58 and name HA) 1.8 0.0 1.1
assign (resid 58 and name HB2) (resid 58 and name HA) 1.8 0.0 1.1

assign (resid 58 and name HA) (resid 58 and name HN)  1.8 0.0 1.7

assign (resid 58 and name HB#) (resid 58 and name HN) 1.8 0.0 1.7

!inter

assign (resid 58 and name HN) (resid 56 and name HB#) 1.8 0.0 3.2

assign (resid 58 and name HN) (resid 57 and name HB#) 1.8 0.0 3.2


assign (resid 58 and name HN) (resid 59 and (name HG1# or name HG2#)) 1.8 0.0 3.2







!Val-59

!intra

assign (resid 59 and name HA) (resid 59 and name HB)  1.8 0.0 1.1

assign (resid 59 and name HA) (resid 59 and (name HG1# or name HG2#)) 1.8 0.0 1.7

assign (resid 59 and name HB) (resid 59 and (name HG1# or name HG2#)) 1.8 0.0 1.1
 
assign (resid 59 and name HB) (resid 59 and name HN)  1.8 0.0 3.2

assign (resid 59 and name HA) (resid 59 and name HN)  1.8 0.0 1.7

assign (resid 59 and name HN) (resid 59 and (name HG1# or name HG2#)) 1.8 0.0 1.7

!inter

assign (resid 59 and name HA) (resid 60 and name HN) 1.8 0.0 1.7

assign (resid 59 and name HB) (resid 60 and name HN) 1.8 0.0 3.2

assign (resid 59 and name HN) (resid 60 and name HN) 1.8 0.0 3.2


assign (resid 59 and name HN) (resid 58 and name HA) 1.8 0.0 1.7

assign (resid 59 and name HN) (resid 58 and name HB#) 1.8 0.0 3.2









!Gln-60

!intra

assign (resid 60 and name HA) (resid 60 and name HN) 1.8 0.0 1.7   ! strength unsure

assign (resid 60 and name HA) (resid 60 and name HG2) 1.8 0.0 1.7  ! double emerge
assign (resid 60 and name HA) (resid 60 and name HG1) 1.8 0.0 1.7  ! Manual add

assign (resid 60 and name HB1) (resid 60 and name HA) 1.8 0.0 1.7
assign (resid 60 and name HB2) (resid 60 and name HA) 1.8 0.0 1.7

assign (resid 60 and name HB1) (resid 60 and name HN) 1.8 0.0 3.2
assign (resid 60 and name HB2) (resid 60 and name HN) 1.8 0.0 3.2

assign (resid 60 and name HB1) (resid 60 and name HG1) 1.8 0.0 1.1
assign (resid 60 and name HB2) (resid 60 and name HG1) 1.8 0.0 1.1
assign (resid 60 and name HB1) (resid 60 and name HG2) 1.8 0.0 1.1
assign (resid 60 and name HB2) (resid 60 and name HG2) 1.8 0.0 1.1

assign (resid 60 and name HN) (resid 60 and name HG#) 1.8 0.0  3.2

!inter

assign (resid 60 and name HN) (resid 59 and (name HG1# or name HG2#)) 1.8 0.0 1.7


assign (resid 60 and name HA) (resid 61 and name HN) 1.8 0.0 1.7

assign (resid 60 and name HG2) (resid 61 and name HD#) 1.8 0.0 3.2
assign (resid 60 and name HG1) (resid 61 and name HD#) 1.8 0.0 3.2

assign (resid 60 and name HN) (resid 61 and name HN)   1.8 0.0 3.2

!!!assign (resid 60 and name HN) (resid 75 and name HA)   1.8 0.0 3.2   ! notproper
!seriously violated 






!Leu-61

!intra

assign (resid 61 and name HA) (resid 61 and name HN) 1.8 0.0 1.1

assign (resid 61 and name HA) (resid 61 and name HB1) 1.8 0.0 1.7
assign (resid 61 and name HA) (resid 61 and name HB2) 1.8 0.0 1.7

assign (resid 61 and name HB1) (resid 61 and name HG) 1.8 0.0 1.1
assign (resid 61 and name HB2) (resid 61 and name HG) 1.8 0.0 1.1

assign (resid 61 and name HB1) (resid 61 and name HN) 1.8 0.0 3.2
assign (resid 61 and name HB2) (resid 61 and name HN) 1.8 0.0 3.2

assign (resid 61 and name HD2#) (resid 61 and name HA) 1.8 0.0 3.2
assign (resid 61 and name HD1#) (resid 61 and name HA) 1.8 0.0 3.2

assign (resid 61 and name HD1#) (resid 61 and name HB1) 1.8 0.0 1.7
assign (resid 61 and name HD1#) (resid 61 and name HB2) 1.8 0.0 1.7
assign (resid 61 and name HD2#) (resid 61 and name HB1) 1.8 0.0 1.7
assign (resid 61 and name HD2#) (resid 61 and name HB2) 1.8 0.0 1.7

assign (resid 61 and name HG) (resid 61 and name HA) 1.8 0.0 3.2


assign (resid 61 and name HG) (resid 61 and name HN) 1.8 0.0 3.2

assign (resid 61 and name HD1#) (resid 61 and name HG) 1.8 0.0 1.1
assign (resid 61 and name HD2#) (resid 61 and name HG) 1.8 0.0 1.1   

assign (resid 61 and name HN) (resid 61 and name HD#) 1.8 0.0 3.2

!inter

!!!assign (resid 61 and name HB#) (resid 62 and name HB#) 1.8 0.0 3.2   ! L61HB2  S62HB2

assign (resid 61 and name HN) (resid 62 and name HN) 1.8 0.0 3.2

assign (resid 61 and name HN) (resid 60 and name HB#) 1.8 0.0 3.2







!Ser-62

!intra

assign (resid 62 and name HB1) (resid 62 and name HA) 1.8 0.0 1.1
assign (resid 62 and name HB2) (resid 62 and name HA) 1.8 0.0 1.1

assign (resid 62 and name HN) (resid 62 and name HA) 1.8 0.0 1.1

assign (resid 62 and name HB1) (resid 62 and name HN) 1.8 0.0 1.7
assign (resid 62 and name HB2) (resid 62 and name HN) 1.8 0.0 3.2

!inter


assign (resid 62 and name HN) (resid 61 and name HA) 1.8 0.0 1.7

assign (resid 62 and name HN) (resid 61 and name HB1) 1.8 0.0 3.2
assign (resid 62 and name HN) (resid 61 and name HB2) 1.8 0.0 3.2

assign (resid 62 and name HN) (resid 61 and name HD#) 1.8 0.0 3.2


!!!assign (resid 62 and name HN) (resid 63 and name HG#) 1.8 0.0 4.2

assign (resid 62 and name HN) (resid 66 and name HZ) 1.8 0.0 4.2

assign (resid 62 and name HB1) (resid 65 and name HN) 1.8 0.0 4.2    !add 201408
assign (resid 62 and name HB2) (resid 65 and name HN) 1.8 0.0 4.2    !add 201408




!Pro-63

!intra

assign (resid 63 and name HA) (resid 63 and name HB1) 1.8 0.0 1.1  
! overlap with other signal
assign (resid 63 and name HA) (resid 63 and name HB2) 1.8 0.0 1.1

assign (resid 63 and name HB1) (resid 63 and name HD#) 1.8 0.0 1.7
assign (resid 63 and name HB2) (resid 63 and name HD#) 1.8 0.0 1.7

assign (resid 63 and name HG1) (resid 63 and name HA) 1.8 0.0 3.2
assign (resid 63 and name HG2) (resid 63 and name HA) 1.8 0.0 3.2

assign (resid 63 and name HG#) (resid 63 and name HB#)  1.8 0.0 1.1  
! overlap with other signal

assign (resid 63 and name HG#) (resid 63 and name HD#) 1.8 0.0 1.1   
! overlap with other signal

!inter

assign (resid 63 and name HA) (resid 41 and (name HD1# or name HD2#)) 1.8 0.0 4.5 
! ?unsure


assign (resid 63 and name HD#) (resid 62 and name HA)  1.8 0.0 1.7

assign (resid 63 and name HA) (resid 64 and name HN)  1.8 0.0 3.2    !add 201404 

assign (resid 63 and name HA) (resid 65 and name HN)  1.8 0.0 3.2    !add 201404 

assign (resid 63 and name HA) (resid 66 and name HB1)  1.8 0.0 4.2    !add 201404 
assign (resid 63 and name HA) (resid 66 and name HB2)  1.8 0.0 4.2    !add 201404 

assign (resid 63 and name HA) (resid 66 and name HN)  1.8 0.0 3.2    !add 201404 




!Glu-64

!intra

assign (resid 64 and name HA) (resid 64 and name HN) 1.8 0.0 1.7

assign (resid 64 and name HB1) (resid 64 and name HA) 1.8 0.0 1.1
assign (resid 64 and name HB2) (resid 64 and name HA) 1.8 0.0 1.1

assign (resid 64 and name HG1) (resid 64 and name HA) 1.8 0.0 1.7
assign (resid 64 and name HG2) (resid 64 and name HA) 1.8 0.0 1.7

assign (resid 64 and name HG1) (resid 64 and name HB1) 1.8 0.0 1.1
assign (resid 64 and name HG2) (resid 64 and name HB1) 1.8 0.0 1.1
assign (resid 64 and name HG1) (resid 64 and name HB2) 1.8 0.0 1.1
assign (resid 64 and name HG2) (resid 64 and name HB2) 1.8 0.0 1.1

assign (resid 64 and name HB1) (resid 64 and name HN) 1.8 0.0 3.2
assign (resid 64 and name HB2) (resid 64 and name HN) 1.8 0.0 3.2

assign (resid 64 and name HG1) (resid 64 and name HN) 1.8 0.0 3.2
assign (resid 64 and name HG2) (resid 64 and name HN) 1.8 0.0 3.2

!inter

assign (resid 64 and name HN) (resid 62 and name HA)  1.8 0.0 2.5

assign (resid 64 and name HN) (resid 62 and name HB1) 1.8 0.0 3.2
assign (resid 64 and name HN) (resid 62 and name HB2) 1.8 0.0 3.2

assign (resid 64 and name HN) (resid 62 and name HN) 1.8 0.0 4.2    !add 201404

assign (resid 64 and name HN) (resid 63 and name HB#) 1.8 0.0 1.7

assign (resid 64 and name HN) (resid 63 and name HA) 1.8 0.0 1.7

assign (resid 64 and name HN) (resid 66 and name HD#) 1.8 0.0 4.2    !add 201404

assign (resid 64 and name HN) (resid 65 and name HA) 1.8 0.0 4.2

assign (resid 64 and name HN) (resid 65 and name HN) 1.8 0.0 3.2

assign (resid 64 and name HA) (resid 67 and name HD#) 1.8 0.0 3.2  

assign (resid 64 and name HA) (resid 67 and name HB1) 1.8 0.0 3.2    !add 201404 
assign (resid 64 and name HA) (resid 67 and name HB2) 1.8 0.0 3.2    !add 201404  

assign (resid 64 and name HA) (resid 65 and name HN) 1.8 0.0 3.2    !add 201404 

assign (resid 64 and name HA) (resid 66 and name HN) 1.8 0.0 3.2    !add 201404 






!His-65

!intra

assign (resid 65 and name HA)  (resid 65 and name HN) 1.8 0.0 1.1

assign (resid 65 and name HB1) (resid 65 and name HA) 1.8 0.0 1.7
assign (resid 65 and name HB2) (resid 65 and name HA) 1.8 0.0 1.7

assign (resid 65 and name HB2) (resid 65 and name HN) 1.8 0.0 1.7   ! may 3.2
assign (resid 65 and name HB1) (resid 65 and name HN) 1.8 0.0 1.7

assign (resid 65 and name HN)  (resid 65 and name HD#) 1.8 0.0 3.2

!!assign (resid 65 and name HN)  (resid 65 and name HE#) 1.8 0.0 4.2

!inter

assign (resid 65 and name HN) (resid 64 and name HA) 1.8 0.0 1.7


!!assign (resid 65 and name HB#) (resid 67 and name HD1) 1.8 0.0 3.2   !HB2
!!assign (resid 65 and name HB#) (resid 67 and name HD2) 1.8 0.0 3.2   !HB2









!Phe-66

!intra

assign (resid 66 and name HN)  (resid 66 and name HA) 1.8 0.0 1.7

assign (resid 66 and name HB1) (resid 66 and name HA)  1.8 0.0 1.7
assign (resid 66 and name HB2) (resid 66 and name HA)  1.8 0.0 1.7

assign (resid 66 and name HN) (resid 66 and name HB1) 1.8 0.0 3.2
assign (resid 66 and name HN) (resid 66 and name HB2) 1.8 0.0 3.2

!inter

assign (resid 66 and name HB2) (resid 30 and (name HD1# or name HD2#)) 1.8 0.0 4.2
assign (resid 66 and name HB1) (resid 30 and (name HD1# or name HD2#)) 1.8 0.0 4.2


assign (resid 66 and name HB#) (resid 31 and (name HG1# or name HG2#)) 1.8 0.0 3.2


assign (resid 66 and name HN)  (resid 64 and name HA)  1.8 0.0 3.2


assign (resid 66 and name HN)  (resid 65 and name HA) 1.8 0.0 1.7

assign (resid 66 and name HN)  (resid 65 and name HB#) 1.8 0.0 2.5


assign (resid 66 and name HN)  (resid 67 and name HN) 1.8 0.0 1.7







!Arg-67

!intra

assign (resid 67 and name HA)  (resid 67 and name HN) 1.8 0.0  1.7

assign (resid 67 and name HB1) (resid 67 and name HG1) 1.8 0.0 1.1
assign (resid 67 and name HB2) (resid 67 and name HG1) 1.8 0.0 1.1
assign (resid 67 and name HG2) (resid 67 and name HB1) 1.8 0.0 1.1
assign (resid 67 and name HG2) (resid 67 and name HB2) 1.8 0.0 1.1

assign (resid 67 and name HD#) (resid 67 and name HB1) 1.8 0.0 1.7
assign (resid 67 and name HB2) (resid 67 and name HD#) 1.8 0.0 1.7

assign (resid 67 and name HA) (resid 67 and name HG1) 1.8 0.0 3.2
assign (resid 67 and name HA) (resid 67 and name HG2) 1.8 0.0 3.2

assign (resid 67 and name HA) (resid 67 and name HN) 1.8 0.0 1.7

assign (resid 67 and name HB1) (resid 67 and name HA) 1.8 0.0 1.7
assign (resid 67 and name HB2) (resid 67 and name HA) 1.8 0.0 1.7

assign (resid 67 and name HG1) (resid 67 and name HD#) 1.8 0.0 1.7
assign (resid 67 and name HG2) (resid 67 and name HD#) 1.8 0.0 1.7

assign (resid 67 and name HA)  (resid 67 and name HD#) 1.8 0.0 3.2

assign (resid 67 and name HB1) (resid 67 and name HN) 1.8 0.0 3.2
assign (resid 67 and name HB2) (resid 67 and name HN) 1.8 0.0 3.2

assign (resid 67 and name HN)  (resid 67 and name HD#) 1.8 0.0 3.2

assign (resid 67 and name HN)  (resid 67 and name HG#) 1.8 0.0 3.2

assign (resid 67 and name HE) (resid 67 and name HD#) 1.8 0.0 1.1

assign (resid 67 and name HE) (resid 67 and name HB1) 1.8 0.0 4.2
assign (resid 67 and name HE) (resid 67 and name HB2) 1.8 0.0 4.2

assign (resid 67 and name HE) (resid 67 and name HG#) 1.8 0.0 3.2

!assign (resid 67 and name HE) (resid 67 and name HN) 1.8 0.0 3.2


!inter

assign (resid 67 and name HA)  (resid 31 and (name HG1# or name HG2#))  1.8 0.0 3.2

assign (resid 67 and name HN)  (resid 31 and (name HG1# or name HG2#))  1.8 0.0 4.2

assign (resid 67 and name HD#) (resid 31 and (name HG1# or name HG2#)) 1.8 0.0 4.2


!assign (resid 67 and name HD#) (resid 64 and name HA) 1.8 0.0 3.2

!!!assign (resid 67 and name HG#) (resid 64 and name HA) 1.8 0.0 4.2   
! violated 20110923

assign (resid 67 and name HN)  (resid 64 and name HA) 1.8 0.0 3.2


!!!assign (resid 67 and name HD#) (resid 66 and name HA) 1.8 0.0 3.2

assign (resid 67 and name HN)  (resid 66 and name HA) 1.8 0.0 1.7


assign (resid 67 and name HA)  (resid 68 and name HN) 1.8 0.0 3.2

assign (resid 67 and name HD#) (resid 68 and name HN) 1.8 0.0 3.2

assign (resid 67 and name HN)  (resid 68 and name HN) 1.8 0.0 3.2

assign (resid 67 and name HN)  (resid 31 and name HG#) 1.8 0.0 4.2

!!!assign (resid 67 and name HG#) (resid 69 and name HD1#) 1.8 0.0 4.2
! violated 20110920







!Ser-68

!intra

assign (resid 68 and name HB1) (resid 68 and name HA) 1.8 0.0 1.7
assign (resid 68 and name HB2) (resid 68 and name HA) 1.8 0.0 1.7

assign (resid 68 and name HN) (resid 68 and name HA)  1.8 0.0 1.7

assign (resid 68 and name HN) (resid 68 and name HB1) 1.8 0.0 3.2
assign (resid 68 and name HN) (resid 68 and name HB2) 1.8 0.0 3.2

!inter

assign (resid 68 and name HB1) (resid 29 and name HA) 1.8 0.0 3.2  
assign (resid 68 and name HB2) (resid 29 and name HA) 1.8 0.0 3.2


assign (resid 68 and name HN) ( (resid 30 and name HN) or (resid 69 and name HN)) 1.8 0.0 3.2



assign (resid 68 and name HN)  (resid 67 and name HB1) 1.8 0.0 3.2
assign (resid 68 and name HN)  (resid 67 and name HB2) 1.8 0.0 3.2

assign (resid 68 and name HN)  (resid 67 and name HG#) 1.8 0.0 3.2   ! HG1 sure


assign (resid 68 and name HB1) (resid 69 and name HN) 1.8 0.0 3.2
assign (resid 68 and name HB2) (resid 69 and name HN) 1.8 0.0 3.2


assign (resid 68 and name HN)  (resid 71 and name HN)  1.8 0.0 3.2


assign (resid 68 and name HN)  (resid 72 and name HD1#) 1.8 0.0 3.2

assign (resid 68 and name HN)  (resid 72 and name HG1#) 1.8 0.0 3.2


assign (resid 68 and name HN)  (resid 72 and name HN)   1.8 0.0 3.2






!Ile-69

!intra

assign (resid 69 and name HB) (resid 69 and name HD1#)  1.8 0.0 1.7

assign (resid 69 and name HB) (resid 69 and name HA)   1.8 0.0 1.7

assign (resid 69 and name HB) (resid 69 and name HN)   1.8 0.0 1.7

assign (resid 69 and name HG11) (resid 69 and name HA) 1.8 0.0 2.5
assign (resid 69 and name HG12) (resid 69 and name HA) 1.8 0.0 2.5

assign (resid 69 and name HN) (resid 69 and name HA)    1.8 0.0 1.7

assign (resid 69 and name HB) (resid 69 and name HG2#)  1.8 0.0 1.1

assign (resid 69 and name HG11) (resid 69 and name HB)  1.8 0.0 1.1
assign (resid 69 and name HG12) (resid 69 and name HB)  1.8 0.0 1.1

assign (resid 69 and name HG11) (resid 69 and name HD1#) 1.8 0.0 1.1   ! May 1.7
assign (resid 69 and name HG12) (resid 69 and name HD1#) 1.8 0.0 1.1

assign (resid 69 and name HG11) (resid 69 and name HG2#) 1.8 0.0 1.1
assign (resid 69 and name HG12) (resid 69 and name HG2#) 1.8 0.0 1.1

assign (resid 69 and name HG2#) (resid 69 and name HA) 1.8 0.0 1.1

assign (resid 69 and name HG2#) (resid 69 and name HB) 1.8 0.0 1.1

assign (resid 69 and name HD1#) (resid 69 and name HA)  1.8 0.0 3.2

assign (resid 69 and name HN) (resid 69 and name HD1#)  1.8 0.0 3.2

assign (resid 69 and name HN) (resid 69 and name HG11) 1.8 0.0 1.7
assign (resid 69 and name HN) (resid 69 and name HG12) 1.8 0.0 3.2

assign (resid 69 and name HN) (resid 69 and name HG2#) 1.8 0.0 1.7

!inter

assign (resid 69 and name HD1#) (resid 8 and name HA)   1.8 0.0 3.2

assign (resid 69 and name HD1#) (resid 8 and name HB#)  1.8 0.0 4.2    !Key
! violated 20110920


assign (resid 69 and name HG2#) (resid 8 and name HA)  1.8 0.0 4.2


assign (resid 69 and name HG1#) ((resid 24 and (name HG1# or name HG2#) or resid 72 and name HD1#)) 1.8 0.0 3.2  


assign (resid 69 and name HB) (resid 26 and (name HG1# or name HG2#))  1.8 0.0 3.2

assign (resid 69 and name HN) (resid 26 and name HA) 1.8 0.0 4.2  !Key
! violated 20110924


assign (resid 69 and name HD1#) (resid 26 and name HB)  1.8 0.0 3.2

assign (resid 69 and name HD1#) (resid 26 and name HA)  1.8 0.0 3.2    

assign (resid 69 and name HG2#) (resid 26 and name HA) 1.8 0.0 3.2

assign (resid 69 and name HG2#) (resid 26 and name HB) 1.8 0.0 3.2



assign (resid 69 and name HN) (resid 68 and name HA)   1.8 0.0 1.7

assign (resid 69 and name HN) (resid 68 and name HB#)  1.8 0.0 3.2

assign (resid 69 and name HN) (resid 68 and name HN)   1.8 0.0 3.2   !add 201404

assign (resid 69 and name HA)  (resid 72 and name HD1#) 1.8 0.0 3.2

assign (resid 69 and name HA) (resid 72 and name HN)  1.8 0.0 4.2   !add 201404

assign (resid 69 and name HA) (resid 73 and name HN)  1.8 0.0 4.2   !add 201404

assign (resid 69 and name HN) (resid 70 and name HN)   1.8 0.0 1.7







!Arg-70

!intra

assign (resid 70 and name HA) (resid 70 and name HG1) 1.8 0.0 3.2
assign (resid 70 and name HG2) (resid 70 and name HA) 1.8 0.0 1.7

assign (resid 70 and name HA) (resid 70 and name HN)  1.8 0.0 1.7

assign (resid 70 and name HB2) (resid 70 and name HN) 1.8 0.0 3.2
assign (resid 70 and name HB1) (resid 70 and name HN) 1.8 0.0 3.2

assign (resid 70 and name HB1) (resid 70 and name HA) 1.8 0.0 1.7
assign (resid 70 and name HB2) (resid 70 and name HA) 1.8 0.0 1.7

assign (resid 70 and name HB#) (resid 70 and name HG#) 1.8 0.0 1.7

assign (resid 70 and name HD#) (resid 70 and name HN) 1.8 0.0 3.2

assign (resid 70 and name HD1) (resid 70 and name HB#) 1.8 0.0 3.2
assign (resid 70 and name HD2) (resid 70 and name HB#) 1.8 0.0 3.2

assign (resid 70 and name HD1) (resid 70 and name HG2) 1.8 0.0 1.7
assign (resid 70 and name HD2) (resid 70 and name HG2) 1.8 0.0 1.7

assign (resid 70 and name HE) (resid 70 and name HD1) 1.8 0.0 1.1
assign (resid 70 and name HE) (resid 70 and name HD2) 1.8 0.0 1.1

assign (resid 70 and name HE) (resid 70 and name HB#) 1.8 0.0 3.2

assign (resid 70 and name HE) (resid 70 and name HG#) 1.8 0.0 1.7

assign (resid 70 and name HE) (resid 70 and name HN)  1.8 0.0 3.2

!inter


!!!assign (resid 70 and name HD1) (resid 29 and name HA) 1.8 0.0 3.2
!!!assign (resid 70 and name HD2) (resid 29 and name HA) 1.8 0.0 3.2


assign (resid 70 and name HA) (resid 69 and name HG1#) 1.8 0.0 4.2

assign (resid 70 and name HA) (resid 71 and name HN) 1.8 0.0 3.2  
!overlap with other signal

assign (resid 70 and name HA) (resid 73 and name HB1) 1.8 0.0 3.2
assign (resid 70 and name HA) (resid 73 and name HB2) 1.8 0.0 3.2


assign (resid 70 and name HN) (resid 69 and name HA)   1.8 0.0 3.2

assign (resid 70 and name HN) (resid 69 and name HG2#) 1.8 0.0 3.2

assign (resid 70 and name HN) (resid 71 and name HN) 1.8 0.0 1.7

assign (resid 70 and name HN) (resid 71 and name HA) 1.8 0.0 4.2
! need checking 20110920

assign (resid 70 and name HA) (resid 72 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 70 and name HA) (resid 73 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 70 and name HN) (resid 73 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 70 and name HN) (resid 72 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 70 and name HN) (resid 73 and name HN) 1.8 0.0 3.2   !add 201404





!Ser-71

!intra

assign (resid 71 and name HA) (resid 71 and name HB#) 1.8 0.0 1.1

assign (resid 71 and name HN) (resid 71 and name HA)  1.8 0.0 1.7

assign (resid 71 and name HN) (resid 71 and name HB1) 1.8 0.0 1.7
assign (resid 71 and name HN) (resid 71 and name HB2) 1.8 0.0 1.7

!inter

assign (resid 71 and name HN) (resid 70 and name HE) 1.8 0.0 3.2    !add 201404

assign (resid 71 and name HN) (resid 72 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 71 and name HN) (resid 73 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 71 and name HA) (resid 74 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 71 and name HN) (resid 74 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 71 and name HA) (resid 74 and name HB#) 1.8 0.0 3.2    !add 201404




!Ile-72

!intra

assign (resid 72 and name HB) (resid 72 and name HD1#) 1.8 0.0 1.1

assign (resid 72 and name HB) (resid 72 and name HG2#) 1.8 0.0 1.1

assign (resid 72 and name HB) (resid 72 and name HA) 1.8 0.0 1.7

assign (resid 72 and name HD1#) (resid 72 and name HG11) 1.8 0.0 1.1
assign (resid 72 and name HD1#) (resid 72 and name HG12) 1.8 0.0 1.1

assign (resid 72 and name HD1#) (resid 72 and name HG2#) 1.8 0.0 1.1

assign (resid 72 and name HG2#) (resid 72 and name HA) 1.8 0.0 1.1

assign (resid 72 and name HG2#) (resid 72 and name HD1#) 1.8 0.0 1.1

assign (resid 72 and name HG2#) (resid 72 and name HG1#) 1.8 0.0 1.1

assign (resid 72 and name HD1#) (resid 72 and name HA) 1.8 0.0 3.2

assign (resid 72 and name HG11) (resid 72 and name HA) 1.8 0.0 3.2
assign (resid 72 and name HG12) (resid 72 and name HA) 1.8 0.0 1.7

assign (resid 72 and name HB) (resid 72 and name HG11) 1.8 0.0 1.7    
assign (resid 72 and name HB) (resid 72 and name HG12) 1.8 0.0 1.7

assign (resid 72 and name HB) (resid 72 and name HN)   1.8 0.0 1.7

assign (resid 72 and name HN) (resid 72 and name HG2#) 1.8 0.0 1.7

assign (resid 72 and name HN) (resid 72 and name HG1#) 1.8 0.0 1.1

assign (resid 72 and name HN) (resid 72 and name HD1#) 1.8 0.0 1.7


!inter

assign (resid 72 and name HN) (resid 71 and name HN) 1.8 0.0 1.7

assign (resid 72 and name HN) (resid 71 and name HA) 1.8 0.0 3.2

assign (resid 72 and name HD1#) (resid 65 and name HE2) 1.8 0.0 4.2


!!!assign (resid 72 and name HD1#) (resid 66 and name HB#) 1.8 0.0 4.2      

! assign (resid 72 and name HN)  (resid 67 and name HA) 1.8 0.0 4.2


assign (resid 72 and name HD1#) (resid 69 and name HA) 1.8 0.0 3.2

assign (resid 72 and name HB)  (resid 69 and name HA) 1.8 0.0 3.2

assign (resid 72 and name HN)  (resid 69 and name HA) 1.8 0.0 3.2  


assign (resid 72 and name HN)  (resid 73 and name HB#) 1.8 0.0 3.2

assign (resid 72 and name HN)  (resid 73 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 72 and name HN)  (resid 74 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 72 and name HN)  (resid 75 and name HN) 1.8 0.0 3.2   !add 201404










!Asp-73


!intra

assign (resid 73 and name HA)  (resid 73 and name HB1) 1.8 0.0 1.7
assign (resid 73 and name HA)  (resid 73 and name HB2) 1.8 0.0 1.7

assign (resid 73 and name HA)  (resid 73 and name HN) 1.8 0.0 1.7

assign (resid 73 and name HB1) (resid 73 and name HA) 1.8 0.0 1.7
assign (resid 73 and name HB2) (resid 73 and name HA) 1.8 0.0 1.7

assign (resid 73 and name HN) (resid 73 and name HB1) 1.8 0.0 1.7
assign (resid 73 and name HN) (resid 73 and name HB2) 1.8 0.0 1.7

!inter

assign (resid 73 and name HA) (resid 7 and name HD1#) 1.8 0.0 3.2

!assign (resid 73 and name HB1) (resid 7 and name HD1#) 1.8 0.0 1.7  ! repeated
!assign (resid 73 and name HB2) (resid 7 and name HD1#) 1.8 0.0 1.7


assign (resid 73 and name HB#) (resid 74 and name HN) 1.8 0.0 3.2   ! HB2

assign (resid 73 and name HN) (resid 74 and name HB#) 1.8 0.0 3.2

assign (resid 73 and name HA) (resid 72 and name HG1#) 1.8 0.0 4.2   !HG11

assign (resid 73 and name HN) (resid 72 and name HD1#) 1.8 0.0 3.2

assign (resid 73 and name HN) (resid 72 and name HG2#) 1.8 0.0 3.2

assign (resid 73 and name HN) (resid 72 and name HB) 1.8 0.0 1.7

assign (resid 73 and name HA)  (resid 74 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 73 and name HA)  (resid 76 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 73 and name HA)  (resid 76 and name HB) 1.8 0.0 3.2   !add 201404

assign (resid 73 and name HB#)  (resid 74 and name HB#) 1.8 0.0 3.2   !add 201404


!Ala-74

!intra

assign (resid 74 and name HA) (resid 74 and name HB#) 1.8 0.0 1.1

assign (resid 74 and name HB#) (resid 74 and name HN) 1.8 0.0 1.1

assign (resid 74 and name HN) (resid 74 and name HA) 1.8 0.0 1.1

!inter

!assign (resid 74 and name HN) (resid 73 and name HB2) 1.8 0.0 3.2
!assign (resid 74 and name HN) (resid 73 and name HB1) 1.8 0.0 3.2
! 20110919

assign (resid 74 and name HN) (resid 73 and name HN) 1.8 0.0 3.2


!assign (resid 74 and name HA) (resid 77 and name HB) 1.8 0.0 1.7

!assign (resid 74 and name HA) (resid 77 and (name HG1# or name HG2#)) 1.8 0.0 1.7   ! HG2#


!assign (resid 74 and name HB#) (resid 75 and name HN) 1.8 0.0 1.7

!assign (resid 74 and name HN)  (resid 75 and name HN) 1.8 0.0 1.7

!assign (resid 74 and name HN) (resid 75 and name HB1) 1.8 0.0 3.2
!assign (resid 74 and name HN) (resid 75 and name HB2) 1.8 0.0 4.2

assign (resid 74 and name HA) (resid 77 and name HB) 1.8 0.0 3.2   !add 201404

assign (resid 74 and name HB#) (resid 72 and name HA) 1.8 0.0 3.2   !add 201404

assign (resid 74 and name HN) (resid 77 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 74 and name HN) (resid 76 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 74 and name HN) (resid 78 and name HN) 1.8 0.0 4.2   !add 201404



!Phe-75

!intra

assign (resid 75 and name HA)  (resid 75 and name HB1) 1.8 0.0 1.1    ! may 1.7
assign (resid 75 and name HA)  (resid 75 and name HB2) 1.8 0.0 1.7

assign (resid 75 and name HA)  (resid 75 and name HN)  1.8 0.0 1.7

assign (resid 75 and name HB1) (resid 75 and name HN) 1.8 0.0 1.7
assign (resid 75 and name HB2) (resid 75 and name HN) 1.8 0.0 1.7

!inter

assign (resid 75 and name HB2) (resid 72 and name HA)  1.8 0.0 3.2
assign (resid 75 and name HB1) (resid 72 and name HA)  1.8 0.0 3.2

assign (resid 75 and name HN) (resid 72 and name HA)   1.8 0.0 1.7

assign (resid 75 and name HN) (resid 72 and name HG2#) 1.8 0.0 3.2


assign (resid 75 and name HN) (resid 74 and name HA)   1.8 0.0 1.7

assign (resid 75 and name HN) (resid 74 and name HB#)  1.8 0.0 1.7

assign (resid 75 and name HN) (resid 73 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 75 and name HN) (resid 78 and name HN) 1.8 0.0 3.2   !add 201404






!Val-76

!intra

assign (resid 76 and name HA) (resid 76 and name HB)   1.8 0.0 1.7

assign (resid 76 and name HA) (resid 76 and name HG1#) 1.8 0.0 1.7
assign (resid 76 and name HA) (resid 76 and name HG2#) 1.8 0.0 1.7

assign (resid 76 and name HB) (resid 76 and name HG1#) 1.8 0.0 1.1
assign (resid 76 and name HB) (resid 76 and name HG2#) 1.8 0.0 1.1

assign (resid 76 and name HN) (resid 76 and name HA) 1.8 0.0 1.7

assign (resid 76 and name HB) (resid 76 and name HN) 1.8 0.0 1.7

assign (resid 76 and name HN) (resid 76 and name HG2#) 1.8 0.0 1.1
assign (resid 76 and name HN) (resid 76 and name HG1#) 1.8 0.0 1.7

!inter

assign (resid 76 and name HN) (resid 65 and name HE1) 1.8 0.0 3.2

assign (resid 76 and name HN) (resid 75 and name HA) 1.8 0.0 2.5

assign (resid 76 and name HN) (resid 75 and name HB1) 1.8 0.0 2.5
assign (resid 76 and name HN) (resid 75 and name HB2) 1.8 0.0 2.5


assign (resid 76 and name HN) (resid 77 and name HG#) 1.8 0.0 3.2    ! HG2#

assign (resid 76 and name HN) (resid 78 and name HN) 1.8 0.0 3.2



assign (resid 76 and name HA) (resid 79 and name HB#) 1.8 0.0 4.2    



assign (resid 76 and name HB) (resid 77 and name HG#) 1.8 0.0 3.2    

assign (resid 76 and name HB) (resid 77 and name HN) 1.8 0.0 2.5    



assign (resid 76 and (name HG1# or name HG2#)) (resid 80 and name HG#)  1.8 0.0 3.2


!!!assign (resid 76 and name HG2#) (resid 48 and name HD#) 1.8 0.0 4.2   ! HD1#
!!!assign (resid 76 and name HG1#) (resid 48 and name HD#) 1.8 0.0 4.2



assign (resid 76 and (name HG1# or name HG2#)) (resid 77 and name HA) 1.8 0.0 3.2    

assign (resid 76 and (name HG1# or name HG2#)) (resid 75 and name HB2)  1.8 0.0 3.2  
assign (resid 76 and (name HG1# or name HG2#)) (resid 75 and name HB1)  1.8 0.0 3.2


assign (resid 76 and (name HG1# or name HG2#)) (resid 77 and name HG#) 1.8 0.0 1.7

!assign (resid 76 and (name HG1# or name HG2#)) (resid 77 and (name HG1# or name HG2#)) 1.8 0.0 3.2    

assign (resid 76 and name HN) (resid 77 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 76 and name HA) (resid 77 and name HN) 1.8 0.0 3.2   !add 201404
 



!Val-77

!intra

assign (resid 77 and name HA) (resid 77 and name HB) 1.8 0.0 1.7

assign (resid 77 and name HA) (resid 77 and name HN) 1.8 0.0 1.7

assign (resid 77 and name HA) (resid 77 and name HG1#) 1.8 0.0 1.7
assign (resid 77 and name HA) (resid 77 and name HG2#) 1.8 0.0 1.7

assign (resid 77 and name HB) (resid 77 and name HN) 1.8 0.0 1.7

assign (resid 77 and name HG1#) (resid 77 and name HN) 1.8 0.0 1.7
assign (resid 77 and name HN) (resid 77 and name HG2#) 1.8 0.0 1.7


assign (resid 77 and name HB) (resid 77 and name HG1#) 1.8 0.0 1.1
assign (resid 77 and name HB) (resid 77 and name HG2#) 1.8 0.0 1.1




!inter

assign (resid 77 and name HG2#) (resid 2 and name HB#) 1.8 0.0 1.7


assign (resid 77 and name HN) (resid 74 and name HA) 1.8 0.0 1.7

!assign (resid 77 and name HG#) (resid 74 and name HA) 1.8 0.0 1.7

!assign (resid 77 and name HB) (resid 74 and name HA) 1.8 0.0 1.1


!assign (resid 77 and name HG#) (resid 76 and (name HG1# or name HG2#)) 1.8 0.0 3.2

assign (resid 77 and name HN)  (resid 76 and name HN) 1.8 0.0 1.1

assign (resid 77 and name HN) (resid 76 and (name HG1# or name HG2#)) 1.8 0.0 3.2


assign (resid 77 and name HB) (resid 78 and name HN)  1.8 0.0 1.7

assign (resid 77 and name HN) (resid 78 and name HN) 1.8 0.0 1.7


assign (resid 77 and name HA) (resid 78 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 77 and name HN) (resid 79 and name HN) 1.8 0.0 3.2   !add 201404





!Gly-78

!intra

assign (resid 78 and name HN) (resid 78 and name HA#) 1.8 0.0 1.1

!inter

!assign (resid 78 and name HA#) (resid 77 and name HG1#) 1.8 0.0 3.2

assign (resid 78 and name HN) (resid 75 and name HN) 1.8 0.0 3.2


assign (resid 78 and name HN) (resid 77 and name HG1#) 1.8 0.0 3.2
assign (resid 78 and name HN) (resid 77 and name HG2#) 1.8 0.0 3.2

assign (resid 78 and name HN) (resid 77 and name HA) 1.8 0.0 3.2

assign (resid 78 and name HN) (resid 79 and name HN) 1.8 0.0 1.1

assign (resid 78 and name HA#) (resid 79 and name HN) 1.8 0.0 3.2   !add 201404






!Ala-79

!intra

assign (resid 79 and name HA) (resid 79 and name HB#) 1.8 0.0 1.1

assign (resid 79 and name HB#) (resid 79 and name HN) 1.8 0.0 1.7

assign (resid 79 and name HN) (resid 79 and name HA) 1.8 0.0 1.1

!inter

assign (resid 79 and name HN) (resid 76 and name HA) 1.8 0.0 3.2


assign (resid 79 and name HN) (resid 78 and name HA#) 1.8 0.0 1.1


assign (resid 79 and name HN) (resid 77 and name HB) 1.8 0.0 3.2

assign (resid 79 and name HN) (resid 77 and (name HG2# or name HG1#)) 1.8 0.0 3.2


assign (resid 79 and name HB#) (resid 80 and name HB) 1.8 0.0 4.2






!Thr-80

!intra

assign (resid 80 and name HA)  (resid 80 and name HG2#)  1.8 0.0 1.7

assign (resid 80 and name HA)  (resid 80 and name HN)  1.8 0.0 1.7

assign (resid 80 and name HB)  (resid 80 and name HA)  1.8 0.0 1.1

assign (resid 80 and name HB)  (resid 80 and name HN) 1.8 0.0 3.2

assign (resid 80 and name HB)  (resid 80 and name HG2#) 1.8 0.0 1.1

assign (resid 80 and name HG2#) (resid 80 and name HA) 1.8 0.0 1.7

assign (resid 80 and name HG2#) (resid 80 and name HN) 1.8 0.0 3.2

!inter

assign (resid 80 and name HN) (resid 78 and name HA#) 1.8 0.0 3.2

assign (resid 80 and name HN) (resid 78 and name HN) 1.8 0.0 3.2


assign (resid 80 and name HA) (resid 79 and name HB#) 1.8 0.0 3.2

assign (resid 80 and name HN) (resid 79 and name HB#) 1.8 0.0 1.7

assign (resid 80 and name HN) (resid 79 and name HA) 1.8 0.0 1.7

assign (resid 80 and name HN) (resid 76 and (name HG1# or name HG2#)) 1.8 0.0 3.2

assign (resid 80 and name HN) (resid 81 and name HN) 1.8 0.0 3.2

assign (resid 80 and name HN) (resid 81 and name HG2#) 1.8 0.0 3.2

assign (resid 80 and name HN) (resid 81 and name HA) 1.8 0.0 4.2


assign (resid 80 and name HA) (resid 81 and name HN)   1.8 0.0 1.7

assign (resid 80 and name HB) (resid 81 and name HA) 1.8 0.0 4.2


assign (resid 80 and name HG2#) (resid 52 and name HB2) 1.8 0.0 3.2
assign (resid 80 and name HG2#) (resid 52 and name HB1) 1.8 0.0 3.2

assign (resid 80 and name HG2#) (resid 54 and name HD1#) 1.8 0.0 3.2



!Thr-81

!intra

assign (resid 81 and name HA) (resid 81 and name HG2#) 1.8 0.0 1.7

assign (resid 81 and name HB) (resid 81 and name HG2#)  1.8 0.0 1.1

assign (resid 81 and name HB) (resid 81 and name HA) 1.8 0.0 1.7

assign (resid 81 and name HB) (resid 81 and name HN) 1.8 0.0 1.7

assign (resid 81 and name HN) (resid 81 and name HA) 1.8 0.0 1.1

assign (resid 81 and name HN) (resid 81 and name HG2#) 1.8 0.0 3.2

!inter

assign (resid 81 and name HB) (resid 79 and name HN) 1.8 0.0 4.5

assign (resid 81 and name HN) (resid 79 and name HB#) 1.8 0.0 4.2


assign (resid 81 and name HG2#) (resid 80 and name HA) 1.8 0.0 4.2

assign (resid 81 and name HB) (resid 80 and name HA) 1.8 0.0 4.2

assign (resid 81 and name HN) (resid 80 and name HG2#) 1.8 0.0 3.2


!assign (resid 81 and name HA) (resid 82 and name HD#) 1.8 0.0 1.7    

assign (resid 81 and name HB)  (resid 82 and name HD#) 1.8 0.0 3.2


assign (resid 81 and name HG2#) (resid 82 and name HD#) 1.8 0.0 3.2








!Pro-82

assign (resid 82 and name HB2) (resid 82 and name HA) 1.8 0.0 1.1
assign (resid 82 and name HB1) (resid 82 and name HA) 1.8 0.0 1.7

assign (resid 82 and name HB#) (resid 82 and name HG#) 1.8 0.0 1.1

assign (resid 82 and name HD1) (resid 82 and name HA)  1.8 0.0 2.5
assign (resid 82 and name HD2) (resid 82 and name HA)  1.8 0.0 2.5

assign (resid 82 and name HD2) (resid 82 and name HG#) 1.8 0.0 1.1
assign (resid 82 and name HD1) (resid 82 and name HG#) 1.8 0.0 1.1

!assign (resid 82 and name HB#) (resid 82 and name HD#) 1.8 0.0 1.7

!inter

assign (resid 82 and name HB#) (resid 83 and name HD1) 1.8 0.0 3.2







!Pro-83

!assign (resid 83 and name HA) (resid 83 and name HG#) 1.8 0.0 3.2

!assign (resid 83 and name HB2) (resid 83 and name HA) 1.8 0.0 1.7
!assign (resid 83 and name HB1) (resid 83 and name HA) 1.8 0.0 1.7

!assign (resid 83 and name HD1) (resid 83 and name HG#) 1.8 0.0 1.1
!assign (resid 83 and name HD2) (resid 83 and name HG#) 1.8 0.0 1.1

!assign (resid 83 and name HG#) (resid 83 and name HB#) 1.8 0.0 1.1

!assign (resid 83 and name HD1) (resid 83 and name HB#) 1.8 0.0 1.7
!assign (resid 83 and name HD2) (resid 83 and name HB#) 1.8 0.0 1.7




!inter

!assign (resid 83 and name HG#) (resid 82 and name HA) 1.8 0.0 3.2

!assign (resid 83 and name HD#) (resid 82 and name HB#) 1.8 0.0 1.7

!assign (resid 83 and name HD1) (resid 82 and name HA) 1.8 0.0 1.1
!assign (resid 83 and name HD2) (resid 82 and name HA) 1.8 0.0 1.1


!assign (resid 83 and name HA) (resid 84 and name HN) 1.8 0.0 1.7


!assign (resid 83 and name HD#) (resid 86 and name HN) 1.8 0.0 3.2   !HD2







!Val-84

!intra

!assign (resid 84 and name HA) (resid 84 and name HB) 1.8 0.0 1.7

!assign (resid 84 and name HA) (resid 84 and name HG#) 1.8 0.0 1.7

!assign (resid 84 and name HB) (resid 84 and name HG#) 1.8 0.0 1.1

!assign (resid 84 and name HB) (resid 84 and name HN) 1.8 0.0 3.2

!assign (resid 84 and name HN) (resid 84 and name HG#) 1.8 0.0 1.7

!inter

assign (resid 84 and name HN) (resid 83 and name HB1) 1.8 0.0 3.2
assign (resid 84 and name HN) (resid 83 and name HB2) 1.8 0.0 1.7

assign (resid 84 and name HA) (resid 85 and name HN) 1.8 0.0 1.7







!Glu-85

!intra

assign (resid 85 and name HA) (resid 85 and name HN) 1.8 0.0 1.1

assign (resid 85 and name HA) (resid 85 and name HB#) 1.8 0.0 1.7

assign (resid 85 and name HN) (resid 85 and name HB1) 1.8 0.0 3.2
assign (resid 85 and name HN) (resid 85 and name HB2) 1.8 0.0 3.2

!inter

assign (resid 85 and name HN) (resid 84 and name HG#) 1.8 0.0 1.7




!Ala-86




!Lys-87


assign (resid 80 and name HA) (resid 81 and name HN)   1.8 0.0 1.7






!Leu-88

!intra
!assign (resid 88 and name HA) (resid 88 and name HB#) 1.8 0.0 1.1

!assign (resid 88 and name HD#) (resid 88 and name HA) 1.8 0.0 1.1

!inter

!assign (resid 88 and name HD#) (resid 87 and name HD#) 1.8 0.0 3.2
# Restraints file 3: holoPCP_talos_dihed.tbl
! Two angles Phi and Psi generated from rama.tcl (in talos)
! rama.tcl -in holoPCP_talos.tab


! M1

! Q2

! H3


! A4
assign  ( resid 3 and name c ) ( resid 4 and name n )
        ( resid 4 and name ca) ( resid 4 and name c ) 1.0 -58 6 2  ! PHI

assign  ( resid 4 and name n ) ( resid 4 and name ca )
        ( resid 4 and name c)  ( resid 5 and name n ) 1.0 -41 8 2  ! PSI

! S5
assign  ( resid 4 and name c ) ( resid 5 and name n )
        ( resid 5 and name ca) ( resid 5 and name c ) 1.0 -67 8 2 

assign  ( resid 5 and name n ) ( resid 5 and name ca )
        ( resid 5 and name c)  ( resid 6 and name n ) 1.0 -42 13  2 

! V6
assign  ( resid 5 and name c ) ( resid 6 and name n )
        ( resid 6 and name ca) ( resid 6 and name c ) 1.0 -68 11  2 

assign  ( resid 6 and name n ) ( resid 6 and name ca )
        ( resid 6 and name c)  ( resid 7 and name n ) 1.0 -43 6  2 

! I7
assign  ( resid 6 and name c ) ( resid 7 and name n )
        ( resid 7 and name ca) ( resid 7 and name c ) 1.0 -64 4  2 

assign  ( resid 7 and name n ) ( resid 7 and name ca )
        ( resid 7 and name c)  ( resid 8 and name n ) 1.0 -41 9  2 

! A8
assign  ( resid 7 and name c ) ( resid 8 and name n )
        ( resid 8 and name ca) ( resid 8 and name c ) 1.0 -58 5  2 

assign  ( resid 8 and name n ) ( resid 8 and name ca )
        ( resid 8 and name c)  ( resid 9 and name n ) 1.0 -44 5  2 

! Q9
assign  ( resid 8 and name c ) ( resid 9 and name n )
        ( resid 9 and name ca) ( resid 9 and name c ) 1.0 -64 5  2 

assign  ( resid 9 and name n ) ( resid 9 and name ca )
        ( resid 9 and name c)  ( resid 10 and name n ) 1.0 -39 5  2 

! F10
assign  ( resid 9 and name c )  ( resid 10 and name n )
        ( resid 10 and name ca) ( resid 10 and name c ) 1.0 -66 6  2 

assign  ( resid 10 and name n ) ( resid 10 and name ca )
        ( resid 10 and name c)  ( resid 11 and name n ) 1.0 -47 4  2 

! V11
assign  ( resid 10 and name c ) ( resid 11 and name n )
        ( resid 11 and name ca) ( resid 11 and name c ) 1.0 -69 4  2 

assign  ( resid 11 and name n ) ( resid 11 and name ca )
        ( resid 11 and name c)  ( resid 12 and name n ) 1.0 -44 5  2 

! V12
assign  ( resid 11 and name c ) ( resid 12 and name n )
        ( resid 12 and name ca) ( resid 12 and name c ) 1.0 -61 6  2 

assign  ( resid 12 and name n ) ( resid 12 and name ca )
        ( resid 12 and name c)  ( resid 13 and name n ) 1.0 -39.5 4  2 

! E13
assign  ( resid 12 and name c ) ( resid 13 and name n )
        ( resid 13 and name ca) ( resid 13 and name c ) 1.0 -60 7  2 

assign  ( resid 13 and name n ) ( resid 13 and name ca )
        ( resid 13 and name c)  ( resid 14 and name n ) 1.0 -33 12  2 

! E14
assign  ( resid 13 and name c ) ( resid 14 and name n )
        ( resid 14 and name ca) ( resid 14 and name c ) 1.0 -85 18  2 

assign  ( resid 14 and name n ) ( resid 14 and name ca )
        ( resid 14 and name c)  ( resid 15 and name n ) 1.0 -22 18  2 

! F15

! L16
assign  ( resid 15 and name c ) ( resid 16 and name n )
        ( resid 16 and name ca) ( resid 16 and name c ) 1.0 -106 25  2 

assign  ( resid 16 and name n ) ( resid 16 and name ca )
        ( resid 16 and name c)  ( resid 17 and name n ) 1.0  107 23  2 

! P17

! D18
assign  ( resid 17 and name c ) ( resid 18 and name n )
        ( resid 18 and name ca) ( resid 18 and name c ) 1.0 -88 11  2 

assign  ( resid 18 and name n ) ( resid 18 and name ca )
        ( resid 18 and name c)  ( resid 19 and name n ) 1.0   7 10  2 

! V19
assign  ( resid 18 and name c ) ( resid 19 and name n )
        ( resid 19 and name ca) ( resid 19 and name c ) 1.0 -97 16  2 

assign  ( resid 19 and name n ) ( resid 19 and name ca )
        ( resid 19 and name c)  ( resid 20 and name n ) 1.0  138 14  2

! A20

assign  ( resid 19 and name c ) ( resid 20 and name n )
        ( resid 20 and name ca) ( resid 20 and name c ) 1.0 -72 9  2 

assign  ( resid 20 and name n ) ( resid 20 and name ca )
        ( resid 20 and name c)  ( resid 21 and name n ) 1.0 138 20 2 



! P21
assign  ( resid 20 and name c ) ( resid 21 and name n )
        ( resid 21 and name ca) ( resid 21 and name c ) 1.0 -56 7  2 

assign  ( resid 21 and name n ) ( resid 21 and name ca )
        ( resid 21 and name c)  ( resid 22 and name n ) 1.0 -34 10 2 

! A22
assign  ( resid 21 and name c ) ( resid 22 and name n )
        ( resid 22 and name ca) ( resid 22 and name c ) 1.0 -69 5  2 

assign  ( resid 22 and name n ) ( resid 22 and name ca )
        ( resid 22 and name c)  ( resid 23 and name n ) 1.0 -25 10 2
 
! D23
assign  ( resid 22 and name c ) ( resid 23 and name n )
        ( resid 23 and name ca) ( resid 23 and name c ) 1.0 -94 11  2 

assign  ( resid 23 and name n ) ( resid 23 and name ca )
        ( resid 23 and name c)  ( resid 24 and name n ) 1.0 9 15 2

! V24
assign  ( resid 23 and name c ) ( resid 24 and name n )
        ( resid 24 and name ca) ( resid 24 and name c ) 1.0 -83 24  2 

assign  ( resid 24 and name n ) ( resid 24 and name ca )
        ( resid 24 and name c)  ( resid 25 and name n ) 1.0 126 18 2
! D25
 
! V26
assign  ( resid 25 and name c ) ( resid 26 and name n )
        ( resid 26 and name ca) ( resid 26 and name c ) 1.0 -81 21  2 

assign  ( resid 26 and name n ) ( resid 26 and name ca )
        ( resid 26 and name c)  ( resid 27 and name n ) 1.0 14 12  2

! D27

! L28
assign  ( resid 27 and name c ) ( resid 28 and name n )
        ( resid 28 and name ca) ( resid 28 and name c ) 1.0 -93 30  2 

assign  ( resid 28 and name n ) ( resid 28 and name ca )
        ( resid 28 and name c)  ( resid 29 and name n ) 1.0 137 8 2

! D29
assign  ( resid 28 and name c ) ( resid 29 and name n )
        ( resid 29 and name ca) ( resid 29 and name c ) 1.0 -95 34  2 

assign  ( resid 29 and name n ) ( resid 29 and name ca )
        ( resid 29 and name c)  ( resid 30 and name n ) 1.0 114 7 2

! L30


! V31
assign  ( resid 30 and name c ) ( resid 31 and name n )
        ( resid 31 and name ca) ( resid 31 and name c ) 1.0 -57 6  2 

assign  ( resid 31 and name n ) ( resid 31 and name ca )
        ( resid 31 and name c)  ( resid 32 and name n ) 1.0 -36 11 2 

! D32
assign  ( resid 31 and name c ) ( resid 32 and name n )
        ( resid 32 and name ca) ( resid 32 and name c ) 1.0 -61 5  2 

assign  ( resid 32 and name n ) ( resid 32 and name ca )
        ( resid 32 and name c)  ( resid 33 and name n ) 1.0 -38 8 2 

! N33
assign  ( resid 32 and name c ) ( resid 33 and name n )
        ( resid 33 and name ca) ( resid 33 and name c ) 1.0 -79 12  2 

assign  ( resid 33 and name n ) ( resid 33 and name ca )
        ( resid 33 and name c)  ( resid 34 and name n ) 1.0 -2 24 2 

! G34
assign  ( resid 33 and name c ) ( resid 34 and name n )
        ( resid 34 and name ca) ( resid 34 and name c ) 1.0 -52 9  2 

assign  ( resid 34 and name n ) ( resid 34 and name ca )
        ( resid 34 and name c)  ( resid 35 and name n ) 1.0 -28 12 2 


! V35
assign  ( resid 34 and name c ) ( resid 35 and name n )
        ( resid 35 and name ca) ( resid 35 and name c ) 1.0 -65 13  2 

assign  ( resid 35 and name n ) ( resid 35 and name ca )
        ( resid 35 and name c)  ( resid 36 and name n ) 1.0 -28 12 2 

! I36
assign  ( resid 35 and name c ) ( resid 36 and name n )
        ( resid 36 and name ca) ( resid 36 and name c ) 1.0 -87 15  2 

assign  ( resid 36 and name n ) ( resid 36 and name ca )
        ( resid 36 and name c)  ( resid 37 and name n ) 1.0 -10 14 2 

! D37


! S38
assign  ( resid 37 and name c ) ( resid 38 and name n )
        ( resid 38 and name ca) ( resid 38 and name c ) 1.0 -110 9  2 

assign  ( resid 38 and name n ) ( resid 38 and name ca )
        ( resid 38 and name c)  ( resid 39 and name n ) 1.0 -44 20 2 

! L39
assign  ( resid 38 and name c ) ( resid 39 and name n )
        ( resid 39 and name ca) ( resid 39 and name c ) 1.0 -68 6  2 

assign  ( resid 39 and name n ) ( resid 39 and name ca )
        ( resid 39 and name c)  ( resid 40 and name n ) 1.0 -46 6 2 

! G40
assign  ( resid 39 and name c ) ( resid 40 and name n )
        ( resid 40 and name ca) ( resid 40 and name c ) 1.0 -66 4  2 

assign  ( resid 40 and name n ) ( resid 40 and name ca )
        ( resid 40 and name c)  ( resid 41 and name n ) 1.0 -43 6 2 

! L41
assign  ( resid 40 and name c ) ( resid 41 and name n )
        ( resid 41 and name ca) ( resid 41 and name c ) 1.0 -62 3  2 

assign  ( resid 41 and name n ) ( resid 41 and name ca )
        ( resid 41 and name c)  ( resid 42 and name n ) 1.0 -41 7 2 

! L42
assign  ( resid 41 and name c ) ( resid 42 and name n )
        ( resid 42 and name ca) ( resid 42 and name c ) 1.0 -64 4  2 

assign  ( resid 42 and name n ) ( resid 42 and name ca )  
        ( resid 42 and name c)  ( resid 43 and name n ) 1.0 -37 7 2 



! K43
assign  ( resid 42 and name c ) ( resid 43 and name n )
        ( resid 43 and name ca) ( resid 43 and name c ) 1.0 -67 7  2 

assign  ( resid 43 and name n ) ( resid 43 and name ca )
        ( resid 43 and name c)  ( resid 44 and name n ) 1.0 -41 8 2 

! V44
assign  ( resid 43 and name c ) ( resid 44 and name n )
        ( resid 44 and name ca) ( resid 44 and name c ) 1.0 -65 7  2 

assign  ( resid 44 and name n ) ( resid 44 and name ca )
        ( resid 44 and name c)  ( resid 45 and name n ) 1.0 -45 5 2 

! I45
assign  ( resid 44 and name c ) ( resid 45 and name n )
        ( resid 45 and name ca) ( resid 45 and name c ) 1.0 -63 4  2 

assign  ( resid 45 and name n ) ( resid 45 and name ca )
        ( resid 45 and name c)  ( resid 46 and name n ) 1.0 -40 10 2 

! A46
assign  ( resid 45 and name c ) ( resid 46 and name n )
        ( resid 46 and name ca) ( resid 46 and name c ) 1.0 -64 3  2 

assign  ( resid 46 and name n ) ( resid 46 and name ca )
        ( resid 46 and name c)  ( resid 47 and name n ) 1.0 -36 8 2 

! W47
assign  ( resid 46 and name c ) ( resid 47 and name n )
        ( resid 47 and name ca) ( resid 47 and name c ) 1.0 -71.5 5  2 

assign  ( resid 47 and name n ) ( resid 47 and name ca )
        ( resid 47 and name c)  ( resid 48 and name n ) 1.0 -44 5 2 

! L48
assign  ( resid 47 and name c ) ( resid 48 and name n )
        ( resid 48 and name ca) ( resid 48 and name c ) 1.0 -61 4  2 

assign  ( resid 48 and name n ) ( resid 48 and name ca )
        ( resid 48 and name c)  ( resid 49 and name n ) 1.0 -42 6 2 

! E49
assign  ( resid 48 and name c ) ( resid 49 and name n )
        ( resid 49 and name ca) ( resid 49 and name c ) 1.0 -66 5  2 

assign  ( resid 49 and name n ) ( resid 49 and name ca )
        ( resid 49 and name c)  ( resid 50 and name n ) 1.0 -41 6 2 

! D50
assign  ( resid 49 and name c ) ( resid 50 and name n )
        ( resid 50 and name ca) ( resid 50 and name c ) 1.0 -68 8  2 

assign  ( resid 50 and name n ) ( resid 50 and name ca )
        ( resid 50 and name c)  ( resid 51 and name n ) 1.0 -42 7 2 

! R51
assign  ( resid 50 and name c ) ( resid 51 and name n )
        ( resid 51 and name ca) ( resid 51 and name c ) 1.0 -72 14  2 

assign  ( resid 51 and name n ) ( resid 51 and name ca )
        ( resid 51 and name c)  ( resid 52 and name n ) 1.0 -36 22 2 

! F52
assign  ( resid 51 and name c ) ( resid 52 and name n )
        ( resid 52 and name ca) ( resid 52 and name c ) 1.0 -106 25  2 

assign  ( resid 52 and name n ) ( resid 52 and name ca )
        ( resid 52 and name c)  ( resid 53 and name n ) 1.0 -7 17 2

! G53
assign  ( resid 52 and name c ) ( resid 53 and name n )
        ( resid 53 and name ca) ( resid 53 and name c ) 1.0 69 9  2 

assign  ( resid 53 and name n ) ( resid 53 and name ca )
        ( resid 53 and name c)  ( resid 54 and name n ) 1.0 24 26 2

! I54
assign  ( resid 53 and name c ) ( resid 54 and name n )
        ( resid 54 and name ca) ( resid 54 and name c ) 1.0 -89 32  2 

assign  ( resid 54 and name n ) ( resid 54 and name ca )
        ( resid 54 and name c)  ( resid 55 and name n ) 1.0 138 14 2 


! A55
assign  ( resid 54 and name c ) ( resid 55 and name n )
        ( resid 55 and name ca) ( resid 55 and name c ) 1.0 -77 14  2 

assign  ( resid 55 and name n ) ( resid 55 and name ca )
        ( resid 55 and name c)  ( resid 56 and name n ) 1.0 143 20 2

! A56
assign  ( resid 55 and name c ) ( resid 56 and name n )
        ( resid 56 and name ca) ( resid 56 and name c ) 1.0 -67 17  2 

assign  ( resid 56 and name n ) ( resid 56 and name ca )
        ( resid 56 and name c)  ( resid 57 and name n ) 1.0 -30 10  2 

! D57


! D58

! V59


! E60



! L61


! S62


! P63
assign  ( resid 62 and name c ) ( resid 63 and name n )
        ( resid 63 and name ca) ( resid 63 and name c ) 1.0 -56 6  2 

assign  ( resid 63 and name n ) ( resid 63 and name ca )
        ( resid 63 and name c)  ( resid 64 and name n ) 1.0 -28 8 2 


! E64
assign  ( resid 63 and name c ) ( resid 64 and name n )
        ( resid 64 and name ca) ( resid 64 and name c ) 1.0 -64 7  2 

assign  ( resid 64 and name n ) ( resid 64 and name ca )
        ( resid 64 and name c)  ( resid 65 and name n ) 1.0 -24 8 2



! H65
assign  ( resid 64 and name c ) ( resid 65 and name n )
        ( resid 65 and name ca) ( resid 65 and name c ) 1.0 -79 10  2 

assign  ( resid 65 and name n ) ( resid 65 and name ca )
        ( resid 65 and name c)  ( resid 66 and name n ) 1.0 -15 11 2 

! F66


! R67


! S68



! I69
assign  ( resid 68 and name c ) ( resid 69 and name n )
        ( resid 69 and name ca) ( resid 69 and name c ) 1.0 -62 4  2 

assign  ( resid 69 and name n ) ( resid 69 and name ca )
        ( resid 69 and name c)  ( resid 70 and name n ) 1.0 -41 4 2 

! R70
assign  ( resid 69 and name c ) ( resid 70 and name n )
        ( resid 70 and name ca) ( resid 70 and name c ) 1.0 -64 2  2 

assign  ( resid 70 and name n ) ( resid 70 and name ca )
        ( resid 70 and name c)  ( resid 71 and name n ) 1.0 -38 5 2 

! S71
assign  ( resid 70 and name c ) ( resid 71 and name n )
        ( resid 71 and name ca) ( resid 71 and name c ) 1.0 -66 8  2 

assign  ( resid 71 and name n ) ( resid 71 and name ca )
        ( resid 71 and name c)  ( resid 72 and name n ) 1.0 -36 10 2 

! I72
assign  ( resid 71 and name c ) ( resid 72 and name n )
        ( resid 72 and name ca) ( resid 72 and name c ) 1.0 -64 4  2 

assign  ( resid 72 and name n ) ( resid 72 and name ca )
        ( resid 72 and name c)  ( resid 73 and name n ) 1.0 -44 5 2 

! D73
assign  ( resid 72 and name c ) ( resid 73 and name n )
        ( resid 73 and name ca) ( resid 73 and name c ) 1.0 -59 5  2 

assign  ( resid 73 and name n ) ( resid 73 and name ca )
        ( resid 73 and name c)  ( resid 74 and name n ) 1.0 -45 8 2 

! A74
assign  ( resid 73 and name c ) ( resid 74 and name n )
        ( resid 74 and name ca) ( resid 74 and name c ) 1.0 -63 3  2 

assign  ( resid 74 and name n ) ( resid 74 and name ca )
        ( resid 74 and name c)  ( resid 75 and name n ) 1.0 -42 4  2 

! F75
assign  ( resid 74 and name c ) ( resid 75 and name n )
        ( resid 75 and name ca) ( resid 75 and name c ) 1.0 -65 9  2 

assign  ( resid 75 and name n ) ( resid 75 and name ca )
        ( resid 75 and name c)  ( resid 76 and name n ) 1.0 -47 8 2 

! V76
assign  ( resid 75 and name c ) ( resid 76 and name n )
        ( resid 76 and name ca) ( resid 76 and name c ) 1.0 -64 4  2 

assign  ( resid 76 and name n ) ( resid 76 and name ca )
        ( resid 76 and name c)  ( resid 77 and name n ) 1.0 -44 3 2 

! V77
assign  ( resid 76 and name c ) ( resid 77 and name n )
        ( resid 77 and name ca) ( resid 77 and name c ) 1.0 -62 6  2 

assign  ( resid 77 and name n ) ( resid 77 and name ca )
        ( resid 77 and name c)  ( resid 78 and name n ) 1.0 -41 10 2 

! G78
assign  ( resid 77 and name c ) ( resid 78 and name n )
        ( resid 78 and name ca) ( resid 78 and name c ) 1.0 -64 6  2 

assign  ( resid 78 and name n ) ( resid 78 and name ca )
        ( resid 78 and name c)  ( resid 79 and name n ) 1.0 -34 16 2 

! A79
assign  ( resid 78 and name c ) ( resid 79 and name n )
        ( resid 79 and name ca) ( resid 79 and name c ) 1.0 -86 18  2 

assign  ( resid 79 and name n ) ( resid 79 and name ca )
        ( resid 79 and name c)  ( resid 80 and name n ) 1.0 -28.5 20 2 

! T80

! T81
assign  ( resid 80 and name c ) ( resid 81 and name n )
        ( resid 81 and name ca) ( resid 81 and name c ) 1.0 -108 32  2 

assign  ( resid 81 and name n ) ( resid 81 and name ca )
        ( resid 81 and name c)  ( resid 82 and name n ) 1.0 115 25 2 
! P82

! P83
assign  ( resid 82 and name c ) ( resid 83 and name n )
        ( resid 83 and name ca) ( resid 83 and name c ) 1.0 -71  9  2 

assign  ( resid 83 and name n ) ( resid 83 and name ca )
        ( resid 83 and name c)  ( resid 84 and name n ) 1.0 139.5 11 2 

! V84
assign  ( resid 83 and name c ) ( resid 84 and name n )
        ( resid 84 and name ca) ( resid 84 and name c ) 1.0 -112 22  2 

assign  ( resid 84 and name n ) ( resid 84 and name ca )
        ( resid 84 and name c)  ( resid 85 and name n ) 1.0 123 18 2 

! E85

! A86

! K87

! L88

! E89


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1  12.164  -2.234  -1.111
    2    H2   MET   1           H2       MET   1  11.056  -2.303   0.175
    3    H3   MET   1           H3       MET   1  10.550  -2.662  -1.407
    4    HA   MET   1           HA       MET   1  12.669  -4.244  -0.097
    5    HB2  MET   1           HB3      MET   1   9.668  -4.664   0.064
    6    HB3  MET   1           HB2      MET   1  10.879  -5.842   0.571
    7    HG2  MET   1           HG3      MET   1  11.794  -4.158   2.168
    8    HG3  MET   1           HG2      MET   1  10.486  -3.063   1.718
    9    HE1  MET   1           HE1      MET   1   9.510  -2.829   4.153
   10    HE2  MET   1           HE2      MET   1  11.008  -3.666   4.547
   11    HE3  MET   1           HE3      MET   1   9.494  -4.197   5.275
   12    H    GLN   2           H        GLN   2  10.828  -6.528  -1.030
   13    HA   GLN   2           HA       GLN   2  12.069  -7.012  -3.538
   14    HB2  GLN   2           HB3      GLN   2   9.481  -8.127  -2.412
   15    HB3  GLN   2           HB2      GLN   2  10.329  -8.781  -3.815
   16    HG2  GLN   2           HG3      GLN   2  12.313  -9.224  -2.436
   17    HG3  GLN   2           HG2      GLN   2  11.505  -8.527  -1.031
   18   HE21  GLN   2          HE21      GLN   2  12.388 -11.237  -0.984
   19   HE22  GLN   2          HE22      GLN   2  11.028 -12.253  -0.965
   20    H    HIS   3           H        HIS   3   8.989  -5.484  -2.719
   21    HA   HIS   3           HA       HIS   3   8.893  -4.284  -5.407
   22    HB2  HIS   3           HB3      HIS   3   7.397  -6.625  -4.823
   23    HB3  HIS   3           HB2      HIS   3   6.253  -5.285  -4.831
   24    HD1  HIS   3           HD1      HIS   3   5.203  -5.396  -7.109
   25    HD2  HIS   3           HD2      HIS   3   9.356  -5.747  -7.293
   26    HE1  HIS   3           HE1      HIS   3   5.817  -5.392  -9.569
   27    HE2  HIS   3           HE2      HIS   3   8.342  -5.608  -9.690
   28    H    ALA   4           H        ALA   4   9.187  -3.421  -2.578
   29    HA   ALA   4           HA       ALA   4   6.781  -2.275  -1.582
   30    HB1  ALA   4           HB1      ALA   4   9.592  -1.180  -1.286
   31    HB2  ALA   4           HB2      ALA   4   8.916  -2.474  -0.296
   32    HB3  ALA   4           HB3      ALA   4   8.221  -0.854  -0.226
   33    H    SER   5           H        SER   5   9.075  -1.132  -4.016
   34    HA   SER   5           HA       SER   5   8.179   1.568  -4.150
   35    HB2  SER   5           HB3      SER   5   9.211   1.630  -6.344
   36    HB3  SER   5           HB2      SER   5  10.220   0.642  -5.292
   37    HG   SER   5           HG       SER   5   9.383  -0.096  -7.559
   38    H    VAL   6           H        VAL   6   6.912  -1.391  -5.616
   39    HA   VAL   6           HA       VAL   6   5.005  -0.076  -7.330
   40    HB   VAL   6           HB       VAL   6   5.012  -2.849  -6.120
   41   HG11  VAL   6          HG11      VAL   6   2.816  -2.810  -6.732
   42   HG12  VAL   6          HG12      VAL   6   3.460  -2.999  -8.363
   43   HG13  VAL   6          HG13      VAL   6   3.032  -1.397  -7.764
   44   HG21  VAL   6          HG21      VAL   6   5.361  -2.980  -8.882
   45   HG22  VAL   6          HG22      VAL   6   6.630  -3.161  -7.670
   46   HG23  VAL   6          HG23      VAL   6   6.329  -1.586  -8.402
   47    H    ILE   7           H        ILE   7   4.895  -1.253  -3.998
   48    HA   ILE   7           HA       ILE   7   2.108  -0.855  -3.563
   49    HB   ILE   7           HB       ILE   7   4.413  -0.628  -1.605
   50   HG12  ILE   7          HG13      ILE   7   2.592  -2.972  -2.244
   51   HG13  ILE   7          HG12      ILE   7   4.227  -2.788  -2.881
   52   HG21  ILE   7          HG21      ILE   7   2.402   0.363  -0.667
   53   HG22  ILE   7          HG22      ILE   7   2.627  -1.227   0.063
   54   HG23  ILE   7          HG23      ILE   7   1.427  -1.003  -1.210
   55   HD11  ILE   7          HD11      ILE   7   4.872  -2.485  -0.351
   56   HD12  ILE   7          HD12      ILE   7   4.615  -4.104  -0.997
   57   HD13  ILE   7          HD13      ILE   7   3.344  -3.316  -0.061
   58    H    ALA   8           H        ALA   8   4.869   1.317  -2.890
   59    HA   ALA   8           HA       ALA   8   3.260   3.533  -2.030
   60    HB1  ALA   8           HB1      ALA   8   6.071   3.248  -3.065
   61    HB2  ALA   8           HB2      ALA   8   5.527   3.732  -1.459
   62    HB3  ALA   8           HB3      ALA   8   5.380   4.851  -2.815
   63    H    GLN   9           H        GLN   9   4.657   2.680  -5.179
   64    HA   GLN   9           HA       GLN   9   3.637   4.953  -6.599
   65    HB2  GLN   9           HB3      GLN   9   5.438   3.448  -7.448
   66    HB3  GLN   9           HB2      GLN   9   4.241   2.170  -7.647
   67    HG2  GLN   9           HG3      GLN   9   3.084   4.332  -8.948
   68    HG3  GLN   9           HG2      GLN   9   4.792   4.478  -9.356
   69   HE21  GLN   9          HE21      GLN   9   2.332   1.842  -9.081
   70   HE22  GLN   9          HE22      GLN   9   2.844   1.026 -10.479
   71    H    PHE  10           H        PHE  10   2.391   1.676  -6.118
   72    HA   PHE  10           HA       PHE  10   0.025   1.982  -7.694
   73    HB2  PHE  10           HB3      PHE  10   0.979  -0.199  -6.931
   74    HB3  PHE  10           HB2      PHE  10   0.461   0.187  -5.291
   75    HD1  PHE  10           HD1      PHE  10  -1.850   0.051  -4.637
   76    HD2  PHE  10           HD2      PHE  10  -0.694  -0.557  -8.728
   77    HE1  PHE  10           HE1      PHE  10  -4.111  -0.834  -5.145
   78    HE2  PHE  10           HE2      PHE  10  -2.954  -1.441  -9.237
   79    HZ   PHE  10           HZ       PHE  10  -4.660  -1.582  -7.444
   80    H    VAL  11           H        VAL  11   0.593   2.327  -4.200
   81    HA   VAL  11           HA       VAL  11  -2.114   3.055  -3.562
   82    HB   VAL  11           HB       VAL  11   0.496   3.596  -2.121
   83   HG11  VAL  11          HG11      VAL  11  -1.020   5.183  -1.239
   84   HG12  VAL  11          HG12      VAL  11  -1.138   3.814  -0.133
   85   HG13  VAL  11          HG13      VAL  11  -2.383   4.070  -1.356
   86   HG21  VAL  11          HG21      VAL  11  -1.288   1.730  -0.850
   87   HG22  VAL  11          HG22      VAL  11   0.343   1.449  -1.460
   88   HG23  VAL  11          HG23      VAL  11  -1.044   1.242  -2.528
   89    H    VAL  12           H        VAL  12   0.817   5.019  -4.085
   90    HA   VAL  12           HA       VAL  12  -0.462   7.550  -3.695
   91    HB   VAL  12           HB       VAL  12   2.027   6.768  -5.204
   92   HG11  VAL  12          HG11      VAL  12   2.438   9.353  -4.710
   93   HG12  VAL  12          HG12      VAL  12   0.678   9.405  -4.797
   94   HG13  VAL  12          HG13      VAL  12   1.611   8.828  -6.177
   95   HG21  VAL  12          HG21      VAL  12   3.061   6.877  -3.196
   96   HG22  VAL  12          HG22      VAL  12   1.450   6.878  -2.476
   97   HG23  VAL  12          HG23      VAL  12   2.273   8.405  -2.801
   98    H    GLU  13           H        GLU  13  -0.054   5.519  -6.550
   99    HA   GLU  13           HA       GLU  13  -0.679   7.350  -8.578
  100    HB2  GLU  13           HB3      GLU  13  -0.056   4.964  -8.950
  101    HB3  GLU  13           HB2      GLU  13  -1.666   4.500  -8.417
  102    HG2  GLU  13           HG3      GLU  13  -2.623   5.931 -10.237
  103    HG3  GLU  13           HG2      GLU  13  -0.978   6.205 -10.810
  104    H    GLU  14           H        GLU  14  -2.867   5.697  -6.348
  105    HA   GLU  14           HA       GLU  14  -5.297   6.514  -7.638
  106    HB2  GLU  14           HB3      GLU  14  -4.738   5.778  -4.754
  107    HB3  GLU  14           HB2      GLU  14  -6.351   5.982  -5.436
  108    HG2  GLU  14           HG3      GLU  14  -5.846   4.213  -7.106
  109    HG3  GLU  14           HG2      GLU  14  -4.268   3.978  -6.354
  110    H    PHE  15           H        PHE  15  -3.235   8.080  -5.221
  111    HA   PHE  15           HA       PHE  15  -5.211  10.272  -4.946
  112    HB2  PHE  15           HB3      PHE  15  -2.520   9.931  -3.594
  113    HB3  PHE  15           HB2      PHE  15  -3.781  11.084  -3.152
  114    HD1  PHE  15           HD1      PHE  15  -2.688   7.607  -3.028
  115    HD2  PHE  15           HD2      PHE  15  -5.931  10.292  -2.194
  116    HE1  PHE  15           HE1      PHE  15  -3.762   5.866  -1.634
  117    HE2  PHE  15           HE2      PHE  15  -7.009   8.553  -0.792
  118    HZ   PHE  15           HZ       PHE  15  -5.927   6.341  -0.511
  119    H    LEU  16           H        LEU  16  -1.656  10.209  -5.462
  120    HA   LEU  16           HA       LEU  16  -2.037  12.512  -7.342
  121    HB2  LEU  16           HB3      LEU  16  -0.261  12.157  -5.009
  122    HB3  LEU  16           HB2      LEU  16   0.524  12.810  -6.447
  123    HG   LEU  16           HG       LEU  16  -1.231  14.548  -6.609
  124   HD11  LEU  16          HD11      LEU  16  -3.191  13.890  -5.639
  125   HD12  LEU  16          HD12      LEU  16  -2.497  14.640  -4.202
  126   HD13  LEU  16          HD13      LEU  16  -2.377  12.895  -4.432
  127   HD21  LEU  16          HD21      LEU  16  -0.211  15.921  -5.064
  128   HD22  LEU  16          HD22      LEU  16   0.916  14.566  -4.989
  129   HD23  LEU  16          HD23      LEU  16  -0.344  14.734  -3.767
  130    HA   PRO  17           HA       PRO  17   0.212   9.213  -9.627
  131    HB2  PRO  17           HB3      PRO  17  -1.395   9.190 -11.818
  132    HB3  PRO  17           HB2      PRO  17  -1.767   8.275 -10.348
  133    HG2  PRO  17           HG3      PRO  17  -2.967  10.761 -11.367
  134    HG3  PRO  17           HG2      PRO  17  -3.674   9.485 -10.369
  135    HD2  PRO  17           HD3      PRO  17  -2.722  11.988  -9.458
  136    HD3  PRO  17           HD2      PRO  17  -3.174  10.599  -8.450
  137    H    ASP  18           H        ASP  18  -0.810  12.448 -10.473
  138    HA   ASP  18           HA       ASP  18   0.775  12.620 -12.906
  139    HB2  ASP  18           HB3      ASP  18  -0.504  14.723 -11.151
  140    HB3  ASP  18           HB2      ASP  18   0.306  15.075 -12.673
  141    H    VAL  19           H        VAL  19   1.579  12.428  -9.697
  142    HA   VAL  19           HA       VAL  19   4.073  14.037 -10.072
  143    HB   VAL  19           HB       VAL  19   2.786  13.132  -7.477
  144   HG11  VAL  19          HG11      VAL  19   4.384  15.014  -6.653
  145   HG12  VAL  19          HG12      VAL  19   5.207  14.778  -8.195
  146   HG13  VAL  19          HG13      VAL  19   5.080  13.444  -7.048
  147   HG21  VAL  19          HG21      VAL  19   2.247  15.582  -7.242
  148   HG22  VAL  19          HG22      VAL  19   1.358  14.783  -8.537
  149   HG23  VAL  19          HG23      VAL  19   2.746  15.800  -8.919
  150    H    ALA  20           H        ALA  20   6.048  12.946  -9.788
  151    HA   ALA  20           HA       ALA  20   6.073  10.136 -10.176
  152    HB1  ALA  20           HB1      ALA  20   8.136  10.868 -10.776
  153    HB2  ALA  20           HB2      ALA  20   8.539  10.660  -9.071
  154    HB3  ALA  20           HB3      ALA  20   8.057  12.244  -9.676
  155    HA   PRO  21           HA       PRO  21   5.060   9.212  -5.852
  156    HB2  PRO  21           HB3      PRO  21   5.244   6.463  -6.061
  157    HB3  PRO  21           HB2      PRO  21   3.800   7.415  -6.456
  158    HG2  PRO  21           HG3      PRO  21   5.811   6.202  -8.248
  159    HG3  PRO  21           HG2      PRO  21   4.079   6.470  -8.496
  160    HD2  PRO  21           HD3      PRO  21   6.051   8.015  -9.624
  161    HD3  PRO  21           HD2      PRO  21   4.394   8.589  -9.328
  162    H    ALA  22           H        ALA  22   7.853   7.938  -7.565
  163    HA   ALA  22           HA       ALA  22   9.249   7.021  -5.194
  164    HB1  ALA  22           HB1      ALA  22   9.658   6.451  -7.731
  165    HB2  ALA  22           HB2      ALA  22  11.032   6.539  -6.628
  166    HB3  ALA  22           HB3      ALA  22  10.669   7.895  -7.696
  167    H    ASP  23           H        ASP  23   8.600  10.091  -6.532
  168    HA   ASP  23           HA       ASP  23  10.979  11.379  -5.362
  169    HB2  ASP  23           HB3      ASP  23   8.550  12.492  -6.796
  170    HB3  ASP  23           HB2      ASP  23   9.883  13.481  -6.201
  171    H    VAL  24           H        VAL  24   8.338  10.099  -4.032
  172    HA   VAL  24           HA       VAL  24   7.789  12.367  -2.183
  173    HB   VAL  24           HB       VAL  24   6.397   9.679  -2.416
  174   HG11  VAL  24          HG11      VAL  24   6.271  11.866  -0.509
  175   HG12  VAL  24          HG12      VAL  24   5.483  10.289  -0.448
  176   HG13  VAL  24          HG13      VAL  24   4.713  11.627  -1.300
  177   HG21  VAL  24          HG21      VAL  24   4.603  10.996  -3.533
  178   HG22  VAL  24          HG22      VAL  24   6.104  11.008  -4.458
  179   HG23  VAL  24          HG23      VAL  24   5.648  12.415  -3.498
  180    H    ASP  25           H        ASP  25   8.430  12.254  -0.040
  181    HA   ASP  25           HA       ASP  25  10.522  10.450   0.684
  182    HB2  ASP  25           HB3      ASP  25   8.711  12.166   2.409
  183    HB3  ASP  25           HB2      ASP  25  10.143  11.326   3.006
  184    H    VAL  26           H        VAL  26   9.697   8.320   0.265
  185    HA   VAL  26           HA       VAL  26   7.285   7.283   1.393
  186    HB   VAL  26           HB       VAL  26   8.217   5.081   0.917
  187   HG11  VAL  26          HG11      VAL  26   8.884   5.432  -1.451
  188   HG12  VAL  26          HG12      VAL  26   9.075   7.154  -1.126
  189   HG13  VAL  26          HG13      VAL  26   7.482   6.408  -1.013
  190   HG21  VAL  26          HG21      VAL  26  10.718   6.522   1.375
  191   HG22  VAL  26          HG22      VAL  26  10.767   5.564  -0.105
  192   HG23  VAL  26          HG23      VAL  26  10.401   4.788   1.435
  193    H    ASP  27           H        ASP  27   9.884   8.502   3.003
  194    HA   ASP  27           HA       ASP  27   9.899   6.508   5.188
  195    HB2  ASP  27           HB3      ASP  27  11.388   9.125   4.808
  196    HB3  ASP  27           HB2      ASP  27  11.579   8.069   6.208
  197    H    LEU  28           H        LEU  28   7.788   8.753   4.270
  198    HA   LEU  28           HA       LEU  28   7.360  10.023   6.913
  199    HB2  LEU  28           HB3      LEU  28   7.153  11.356   4.806
  200    HB3  LEU  28           HB2      LEU  28   5.792  10.341   4.338
  201    HG   LEU  28           HG       LEU  28   5.086  11.075   6.889
  202   HD11  LEU  28          HD11      LEU  28   7.056  12.627   6.936
  203   HD12  LEU  28          HD12      LEU  28   5.508  13.449   7.135
  204   HD13  LEU  28          HD13      LEU  28   6.342  13.502   5.581
  205   HD21  LEU  28          HD21      LEU  28   3.594  12.745   5.702
  206   HD22  LEU  28          HD22      LEU  28   3.561  11.117   5.022
  207   HD23  LEU  28          HD23      LEU  28   4.490  12.389   4.224
  208    H    ASP  29           H        ASP  29   5.693   9.425   8.270
  209    HA   ASP  29           HA       ASP  29   4.457   6.876   7.944
  210    HB2  ASP  29           HB3      ASP  29   3.670   9.244   9.673
  211    HB3  ASP  29           HB2      ASP  29   2.947   7.640   9.806
  212    H    LEU  30           H        LEU  30   2.839   6.356   6.549
  213    HA   LEU  30           HA       LEU  30   1.488   8.413   5.033
  214    HB2  LEU  30           HB3      LEU  30   0.327   6.589   3.935
  215    HB3  LEU  30           HB2      LEU  30   2.018   6.133   4.142
  216    HG   LEU  30           HG       LEU  30   0.743   5.309   6.505
  217   HD11  LEU  30          HD11      LEU  30  -1.439   5.523   5.462
  218   HD12  LEU  30          HD12      LEU  30  -1.041   3.809   5.569
  219   HD13  LEU  30          HD13      LEU  30  -0.883   4.655   4.031
  220   HD21  LEU  30          HD21      LEU  30   2.600   4.194   5.317
  221   HD22  LEU  30          HD22      LEU  30   1.490   3.721   4.031
  222   HD23  LEU  30          HD23      LEU  30   1.290   3.063   5.655
  223    H    VAL  31           H        VAL  31   1.039   7.625   8.162
  224    HA   VAL  31           HA       VAL  31  -1.701   7.103   8.521
  225    HB   VAL  31           HB       VAL  31   0.112   7.409  10.323
  226   HG11  VAL  31          HG11      VAL  31  -0.815  10.284  10.238
  227   HG12  VAL  31          HG12      VAL  31   0.652   9.755   9.414
  228   HG13  VAL  31          HG13      VAL  31   0.517   9.595  11.165
  229   HG21  VAL  31          HG21      VAL  31  -1.839   7.037  11.432
  230   HG22  VAL  31          HG22      VAL  31  -2.748   8.119  10.377
  231   HG23  VAL  31          HG23      VAL  31  -1.823   8.776  11.727
  232    H    ASP  32           H        ASP  32  -0.066  10.139   7.753
  233    HA   ASP  32           HA       ASP  32  -2.312  11.876   7.953
  234    HB2  ASP  32           HB3      ASP  32   0.048  11.935   6.040
  235    HB3  ASP  32           HB2      ASP  32  -1.107  13.255   6.223
  236    H    ASN  33           H        ASN  33  -1.250   9.635   5.466
  237    HA   ASN  33           HA       ASN  33  -3.408  10.386   3.626
  238    HB2  ASN  33           HB3      ASN  33  -1.467   8.069   3.527
  239    HB3  ASN  33           HB2      ASN  33  -2.523   8.587   2.214
  240   HD21  ASN  33          HD21      ASN  33   0.596   8.665   2.838
  241   HD22  ASN  33          HD22      ASN  33   1.024  10.218   2.304
  242    H    GLY  34           H        GLY  34  -3.703   9.136   6.451
  243    HA2  GLY  34           HA3      GLY  34  -4.682   6.556   6.471
  244    HA3  GLY  34           HA2      GLY  34  -5.435   7.851   7.403
  245    H    VAL  35           H        VAL  35  -5.828   9.125   4.552
  246    HA   VAL  35           HA       VAL  35  -8.580   8.628   4.277
  247    HB   VAL  35           HB       VAL  35  -6.516   9.351   2.176
  248   HG11  VAL  35          HG11      VAL  35  -9.542   9.288   2.025
  249   HG12  VAL  35          HG12      VAL  35  -8.405   8.402   1.008
  250   HG13  VAL  35          HG13      VAL  35  -8.525  10.157   0.876
  251   HG21  VAL  35          HG21      VAL  35  -7.014  10.896   4.164
  252   HG22  VAL  35          HG22      VAL  35  -8.624  11.089   3.472
  253   HG23  VAL  35          HG23      VAL  35  -7.204  11.601   2.559
  254    H    ILE  36           H        ILE  36  -5.830   6.840   2.959
  255    HA   ILE  36           HA       ILE  36  -7.383   5.097   1.268
  256    HB   ILE  36           HB       ILE  36  -4.803   5.553   1.310
  257   HG12  ILE  36          HG13      ILE  36  -6.148   2.886   0.856
  258   HG13  ILE  36          HG12      ILE  36  -5.650   4.080  -0.345
  259   HG21  ILE  36          HG21      ILE  36  -3.500   4.148   2.691
  260   HG22  ILE  36          HG22      ILE  36  -4.866   3.090   3.050
  261   HG23  ILE  36          HG23      ILE  36  -4.786   4.702   3.763
  262   HD11  ILE  36          HD11      ILE  36  -3.907   2.575  -0.549
  263   HD12  ILE  36          HD12      ILE  36  -3.996   2.083   1.142
  264   HD13  ILE  36          HD13      ILE  36  -3.253   3.622   0.710
  265    H    ASP  37           H        ASP  37  -6.682   5.153   4.669
  266    HA   ASP  37           HA       ASP  37  -6.932   2.430   5.343
  267    HB2  ASP  37           HB3      ASP  37  -7.883   4.853   6.895
  268    HB3  ASP  37           HB2      ASP  37  -7.698   3.235   7.565
  269    H    SER  38           H        SER  38  -9.474   4.790   4.608
  270    HA   SER  38           HA       SER  38 -11.481   2.620   5.053
  271    HB2  SER  38          2HB       SER  38 -11.464   5.476   5.656
  272    HB3  SER  38          1HB       SER  38 -12.892   4.987   4.752
  273    H    LEU  39           H        LEU  39 -11.260   5.534   2.977
  274    HA   LEU  39           HA       LEU  39 -13.002   4.461   0.999
  275    HB2  LEU  39           HB3      LEU  39 -12.567   6.855   1.193
  276    HB3  LEU  39           HB2      LEU  39 -10.893   6.594   0.715
  277    HG   LEU  39           HG       LEU  39 -11.614   5.750  -1.457
  278   HD11  LEU  39          HD11      LEU  39 -13.658   4.673  -1.182
  279   HD12  LEU  39          HD12      LEU  39 -14.186   6.193  -1.904
  280   HD13  LEU  39          HD13      LEU  39 -14.309   5.954  -0.161
  281   HD21  LEU  39          HD21      LEU  39 -12.893   8.355  -0.612
  282   HD22  LEU  39          HD22      LEU  39 -12.730   7.850  -2.293
  283   HD23  LEU  39          HD23      LEU  39 -11.292   8.139  -1.315
  284    H    GLY  40           H        GLY  40  -9.455   4.762   0.959
  285    HA2  GLY  40           HA3      GLY  40  -9.182   3.302  -1.512
  286    HA3  GLY  40           HA2      GLY  40  -7.879   3.671  -0.393
  287    H    LEU  41           H        LEU  41  -9.073   2.381   1.902
  288    HA   LEU  41           HA       LEU  41  -8.052  -0.245   1.581
  289    HB2  LEU  41           HB3      LEU  41  -8.345   0.788   3.787
  290    HB3  LEU  41           HB2      LEU  41 -10.097   0.753   3.585
  291    HG   LEU  41           HG       LEU  41  -8.770  -1.847   3.144
  292   HD11  LEU  41          HD11      LEU  41  -7.377  -1.449   4.959
  293   HD12  LEU  41          HD12      LEU  41  -8.801  -2.090   5.777
  294   HD13  LEU  41          HD13      LEU  41  -8.519  -0.351   5.734
  295   HD21  LEU  41          HD21      LEU  41 -11.294  -1.182   3.361
  296   HD22  LEU  41          HD22      LEU  41 -10.975  -1.216   5.095
  297   HD23  LEU  41          HD23      LEU  41 -10.736  -2.669   4.125
  298    H    LEU  42           H        LEU  42 -11.390   0.954   1.355
  299    HA   LEU  42           HA       LEU  42 -12.554  -1.644   0.939
  300    HB2  LEU  42           HB3      LEU  42 -13.501   1.122   0.159
  301    HB3  LEU  42           HB2      LEU  42 -14.478  -0.325  -0.007
  302    HG   LEU  42           HG       LEU  42 -13.279   0.665   2.593
  303   HD11  LEU  42          HD11      LEU  42 -15.716   1.362   1.153
  304   HD12  LEU  42          HD12      LEU  42 -15.026   2.099   2.599
  305   HD13  LEU  42          HD13      LEU  42 -16.070   0.685   2.741
  306   HD21  LEU  42          HD21      LEU  42 -13.601  -1.539   3.078
  307   HD22  LEU  42          HD22      LEU  42 -14.699  -1.777   1.720
  308   HD23  LEU  42          HD23      LEU  42 -15.292  -1.059   3.217
  309    H    LYS  43           H        LYS  43 -11.428   0.890  -1.302
  310    HA   LYS  43           HA       LYS  43 -12.142  -0.538  -3.685
  311    HB2  LYS  43           HB3      LYS  43 -10.061   1.597  -3.196
  312    HB3  LYS  43           HB2      LYS  43 -10.550   1.033  -4.789
  313    HG2  LYS  43           HG3      LYS  43 -12.903   1.675  -4.247
  314    HG3  LYS  43           HG2      LYS  43 -12.329   2.350  -2.721
  315    HD2  LYS  43           HD3      LYS  43 -10.801   3.852  -4.006
  316    HD3  LYS  43           HD2      LYS  43 -11.506   3.236  -5.501
  317    HE2  LYS  43           HE3      LYS  43 -12.840   4.863  -3.336
  318    HE3  LYS  43           HE2      LYS  43 -12.719   5.223  -5.058
  319    HZ1  LYS  43           HZ1      LYS  43 -14.925   4.372  -4.326
  320    HZ2  LYS  43           HZ2      LYS  43 -14.184   2.885  -3.971
  321    HZ3  LYS  43           HZ3      LYS  43 -14.207   3.467  -5.568
  322    H    VAL  44           H        VAL  44  -9.142  -0.360  -1.782
  323    HA   VAL  44           HA       VAL  44  -7.575  -1.971  -3.568
  324    HB   VAL  44           HB       VAL  44  -7.299  -1.477  -0.591
  325   HG11  VAL  44          HG11      VAL  44  -5.406  -2.725  -2.604
  326   HG12  VAL  44          HG12      VAL  44  -6.093  -3.500  -1.175
  327   HG13  VAL  44          HG13      VAL  44  -4.923  -2.194  -0.994
  328   HG21  VAL  44          HG21      VAL  44  -7.043   0.293  -2.681
  329   HG22  VAL  44          HG22      VAL  44  -5.393  -0.306  -2.512
  330   HG23  VAL  44          HG23      VAL  44  -6.205   0.442  -1.137
  331    H    ILE  45           H        ILE  45  -9.501  -2.783  -0.686
  332    HA   ILE  45           HA       ILE  45  -8.821  -5.535  -0.566
  333    HB   ILE  45           HB       ILE  45 -10.968  -3.791   0.477
  334   HG12  ILE  45          HG13      ILE  45 -10.361  -4.826   2.551
  335   HG13  ILE  45          HG12      ILE  45  -9.583  -6.175   1.725
  336   HG21  ILE  45          HG21      ILE  45 -12.446  -5.430  -0.453
  337   HG22  ILE  45          HG22      ILE  45 -12.267  -5.835   1.253
  338   HG23  ILE  45          HG23      ILE  45 -11.388  -6.756   0.035
  339   HD11  ILE  45          HD11      ILE  45  -8.544  -3.488   1.032
  340   HD12  ILE  45          HD12      ILE  45  -7.671  -4.991   1.320
  341   HD13  ILE  45          HD13      ILE  45  -8.230  -4.022   2.681
  342    H    ALA  46           H        ALA  46 -11.593  -3.954  -2.196
  343    HA   ALA  46           HA       ALA  46 -12.560  -6.386  -3.385
  344    HB1  ALA  46           HB1      ALA  46 -14.174  -4.717  -3.417
  345    HB2  ALA  46           HB2      ALA  46 -13.565  -4.599  -5.067
  346    HB3  ALA  46           HB3      ALA  46 -13.014  -3.459  -3.840
  347    H    TRP  47           H        TRP  47 -10.302  -3.881  -4.477
  348    HA   TRP  47           HA       TRP  47  -9.993  -4.920  -7.146
  349    HB2  TRP  47           HB3      TRP  47  -9.288  -2.675  -6.801
  350    HB3  TRP  47           HB2      TRP  47  -8.300  -3.119  -5.409
  351    HD1  TRP  47           HD1      TRP  47  -8.447  -3.821  -9.212
  352    HE1  TRP  47           HE1      TRP  47  -6.032  -4.141 -10.057
  353    HE3  TRP  47           HE3      TRP  47  -5.912  -3.458  -4.796
  354    HZ2  TRP  47           HZ2      TRP  47  -3.374  -4.228  -8.997
  355    HZ3  TRP  47           HZ3      TRP  47  -3.443  -3.662  -4.741
  356    HH2  TRP  47           HH2      TRP  47  -2.172  -4.046  -6.835
  357    H    LEU  48           H        LEU  48  -8.215  -5.422  -4.111
  358    HA   LEU  48           HA       LEU  48  -6.091  -6.968  -5.139
  359    HB2  LEU  48           HB3      LEU  48  -6.338  -6.118  -2.771
  360    HB3  LEU  48           HB2      LEU  48  -7.492  -7.410  -2.493
  361    HG   LEU  48           HG       LEU  48  -5.636  -8.979  -3.372
  362   HD11  LEU  48          HD11      LEU  48  -4.360  -6.537  -3.749
  363   HD12  LEU  48          HD12      LEU  48  -3.585  -8.120  -3.768
  364   HD13  LEU  48          HD13      LEU  48  -3.622  -7.172  -2.282
  365   HD21  LEU  48          HD21      LEU  48  -4.466  -8.662  -0.996
  366   HD22  LEU  48          HD22      LEU  48  -6.109  -9.289  -1.126
  367   HD23  LEU  48          HD23      LEU  48  -5.842  -7.591  -0.732
  368    H    GLU  49           H        GLU  49  -9.288  -8.049  -3.964
  369    HA   GLU  49           HA       GLU  49  -8.808 -10.824  -4.603
  370    HB2  GLU  49           HB3      GLU  49 -10.513 -10.368  -2.997
  371    HB3  GLU  49           HB2      GLU  49 -11.321  -9.226  -4.060
  372    HG2  GLU  49           HG3      GLU  49 -12.494 -11.419  -3.945
  373    HG3  GLU  49           HG2      GLU  49 -11.949 -11.043  -5.573
  374    H    ASP  50           H        ASP  50 -10.194  -8.092  -6.359
  375    HA   ASP  50           HA       ASP  50 -11.250  -9.579  -8.553
  376    HB2  ASP  50           HB3      ASP  50 -11.717  -7.164  -8.037
  377    HB3  ASP  50           HB2      ASP  50 -10.106  -6.790  -8.644
  378    H    ARG  51           H        ARG  51  -8.071  -8.021  -8.124
  379    HA   ARG  51           HA       ARG  51  -7.158  -9.117 -10.693
  380    HB2  ARG  51           HB3      ARG  51  -6.511  -6.836  -9.961
  381    HB3  ARG  51           HB2      ARG  51  -5.619  -7.546  -8.614
  382    HG2  ARG  51           HG3      ARG  51  -4.226  -8.818 -10.220
  383    HG3  ARG  51           HG2      ARG  51  -5.095  -8.063 -11.556
  384    HD2  ARG  51           HD3      ARG  51  -3.515  -6.568  -9.443
  385    HD3  ARG  51           HD2      ARG  51  -2.955  -6.904 -11.081
  386    HE   ARG  51           HE       ARG  51  -5.517  -5.465 -10.901
  387   HH11  ARG  51          HH11      ARG  51  -5.497  -3.417 -11.854
  388   HH12  ARG  51          HH12      ARG  51  -3.985  -2.702 -12.306
  389   HH21  ARG  51          HH21      ARG  51  -2.082  -5.384 -11.210
  390   HH22  ARG  51          HH22      ARG  51  -2.054  -3.815 -11.942
  391    H    PHE  52           H        PHE  52  -5.893  -9.347  -7.332
  392    HA   PHE  52           HA       PHE  52  -4.193 -11.584  -8.080
  393    HB2  PHE  52           HB3      PHE  52  -4.858 -10.321  -5.415
  394    HB3  PHE  52           HB2      PHE  52  -3.692 -11.626  -5.618
  395    HD1  PHE  52           HD1      PHE  52  -1.627 -11.283  -6.950
  396    HD2  PHE  52           HD2      PHE  52  -4.362  -8.073  -6.139
  397    HE1  PHE  52           HE1      PHE  52   0.106  -9.638  -7.613
  398    HE2  PHE  52           HE2      PHE  52  -2.629  -6.428  -6.801
  399    HZ   PHE  52           HZ       PHE  52  -0.394  -7.210  -7.539
  400    H    GLY  53           H        GLY  53  -7.421 -11.323  -6.724
  401    HA2  GLY  53           HA3      GLY  53  -8.969 -13.106  -6.437
  402    HA3  GLY  53           HA2      GLY  53  -7.710 -14.226  -6.951
  403    H    ILE  54           H        ILE  54  -7.286 -11.885  -4.357
  404    HA   ILE  54           HA       ILE  54  -6.925 -14.172  -2.476
  405    HB   ILE  54           HB       ILE  54  -6.012 -11.288  -2.236
  406   HG12  ILE  54          HG13      ILE  54  -4.332 -13.746  -2.782
  407   HG13  ILE  54          HG12      ILE  54  -4.963 -12.725  -4.075
  408   HG21  ILE  54          HG21      ILE  54  -5.639 -11.822  -0.080
  409   HG22  ILE  54          HG22      ILE  54  -4.499 -13.052  -0.625
  410   HG23  ILE  54          HG23      ILE  54  -6.191 -13.474  -0.356
  411   HD11  ILE  54          HD11      ILE  54  -2.628 -12.124  -3.343
  412   HD12  ILE  54          HD12      ILE  54  -3.297 -11.678  -1.773
  413   HD13  ILE  54          HD13      ILE  54  -3.785 -10.798  -3.221
  414    H    ALA  55           H        ALA  55  -8.084 -14.204  -0.517
  415    HA   ALA  55           HA       ALA  55 -10.661 -13.000  -0.493
  416    HB1  ALA  55           HB1      ALA  55 -10.062 -15.029   0.814
  417    HB2  ALA  55           HB2      ALA  55 -10.814 -13.792   1.823
  418    HB3  ALA  55           HB3      ALA  55  -9.066 -14.031   1.873
  419    H    ALA  56           H        ALA  56 -11.465 -11.202   0.651
  420    HA   ALA  56           HA       ALA  56  -9.811  -8.912   0.801
  421    HB1  ALA  56           HB1      ALA  56 -11.680  -7.885   2.069
  422    HB2  ALA  56           HB2      ALA  56 -12.404  -9.480   2.270
  423    HB3  ALA  56           HB3      ALA  56 -12.261  -8.773   0.660
  424    H    ASP  57           H        ASP  57 -10.616 -11.333   3.239
  425    HA   ASP  57           HA       ASP  57  -9.789 -11.658   5.410
  426    HB2  ASP  57           HB3      ASP  57  -7.463 -10.163   4.186
  427    HB3  ASP  57           HB2      ASP  57  -7.401 -11.001   5.733
  428    H    ASP  58           H        ASP  58 -11.552  -9.498   5.185
  429    HA   ASP  58           HA       ASP  58 -10.302  -7.266   6.682
  430    HB2  ASP  58           HB3      ASP  58 -12.408  -6.086   6.293
  431    HB3  ASP  58           HB2      ASP  58 -11.820  -6.761   4.773
  432    H    VAL  59           H        VAL  59 -11.240 -10.150   7.627
  433    HA   VAL  59           HA       VAL  59 -13.313  -9.821   9.522
  434    HB   VAL  59           HB       VAL  59 -10.891 -11.621   9.556
  435   HG11  VAL  59          HG11      VAL  59 -13.075 -11.202  11.522
  436   HG12  VAL  59          HG12      VAL  59 -11.444 -11.827  11.769
  437   HG13  VAL  59          HG13      VAL  59 -12.704 -12.880  11.126
  438   HG21  VAL  59          HG21      VAL  59 -13.787 -12.304   9.022
  439   HG22  VAL  59          HG22      VAL  59 -12.360 -13.278   8.667
  440   HG23  VAL  59          HG23      VAL  59 -12.685 -11.817   7.734
  441    H    GLU  60           H        GLU  60  -9.812  -9.303   9.873
  442    HA   GLU  60           HA       GLU  60 -10.383  -7.932  12.473
  443    HB2  GLU  60           HB3      GLU  60  -8.933  -9.948  12.665
  444    HB3  GLU  60           HB2      GLU  60  -7.783  -9.194  11.566
  445    HG2  GLU  60           HG3      GLU  60  -7.569  -7.292  13.130
  446    HG3  GLU  60           HG2      GLU  60  -8.661  -8.107  14.243
  447    H    LEU  61           H        LEU  61  -9.785  -5.803  12.636
  448    HA   LEU  61           HA       LEU  61  -8.411  -4.615  10.272
  449    HB2  LEU  61           HB3      LEU  61 -10.030  -3.148  12.363
  450    HB3  LEU  61           HB2      LEU  61  -9.530  -2.560  10.782
  451    HG   LEU  61           HG       LEU  61 -11.506  -4.774  11.345
  452   HD11  LEU  61          HD11      LEU  61 -12.015  -2.158  11.414
  453   HD12  LEU  61          HD12      LEU  61 -13.159  -3.297  10.703
  454   HD13  LEU  61          HD13      LEU  61 -12.073  -2.372   9.664
  455   HD21  LEU  61          HD21      LEU  61 -10.338  -5.492   9.410
  456   HD22  LEU  61          HD22      LEU  61 -10.184  -3.847   8.794
  457   HD23  LEU  61          HD23      LEU  61 -11.753  -4.651   8.778
  458    H    SER  62           H        SER  62  -6.530  -3.417  10.596
  459    HA   SER  62           HA       SER  62  -5.601  -3.096  13.411
  460    HB2  SER  62           HB3      SER  62  -4.357  -4.560  11.189
  461    HB3  SER  62           HB2      SER  62  -3.276  -3.435  11.998
  462    HG   SER  62           HG       SER  62  -3.827  -5.787  12.816
  463    HA   PRO  63           HA       PRO  63  -5.637   1.005  11.217
  464    HB2  PRO  63           HB3      PRO  63  -5.562   1.854  14.060
  465    HB3  PRO  63           HB2      PRO  63  -6.614   2.406  12.747
  466    HG2  PRO  63           HG3      PRO  63  -7.490   0.801  14.705
  467    HG3  PRO  63           HG2      PRO  63  -8.111   0.712  13.049
  468    HD2  PRO  63           HD3      PRO  63  -6.271  -1.150  14.468
  469    HD3  PRO  63           HD2      PRO  63  -7.433  -1.483  13.166
  470    H    GLU  64           H        GLU  64  -3.614  -0.300  13.777
  471    HA   GLU  64           HA       GLU  64  -1.568   1.725  13.681
  472    HB2  GLU  64           HB3      GLU  64  -1.473  -1.160  14.563
  473    HB3  GLU  64           HB2      GLU  64  -0.165  -0.007  14.805
  474    HG2  GLU  64           HG3      GLU  64  -2.984   0.339  15.838
  475    HG3  GLU  64           HG2      GLU  64  -1.616  -0.196  16.803
  476    H    HIS  65           H        HIS  65  -2.451  -0.798  11.571
  477    HA   HIS  65           HA       HIS  65   0.103  -1.457  10.447
  478    HB2  HIS  65           HB3      HIS  65  -2.118  -2.699  10.173
  479    HB3  HIS  65           HB2      HIS  65  -2.535  -1.480   8.971
  480    HD1  HIS  65           HD1      HIS  65  -2.352  -2.867   6.860
  481    HD2  HIS  65           HD2      HIS  65   1.054  -3.154   9.251
  482    HE1  HIS  65           HE1      HIS  65  -0.629  -4.137   5.504
  483    HE2  HIS  65           HE2      HIS  65   1.449  -4.316   6.950
  484    H    PHE  66           H        PHE  66  -2.056   1.258   9.973
  485    HA   PHE  66           HA       PHE  66  -0.710   2.078   7.480
  486    HB2  PHE  66           HB3      PHE  66  -2.730   3.597   9.155
  487    HB3  PHE  66           HB2      PHE  66  -2.261   3.952   7.493
  488    HD1  PHE  66           HD1      PHE  66  -2.623   2.063   5.741
  489    HD2  PHE  66           HD2      PHE  66  -4.518   2.165   9.592
  490    HE1  PHE  66           HE1      PHE  66  -4.370   0.503   4.923
  491    HE2  PHE  66           HE2      PHE  66  -6.261   0.606   8.778
  492    HZ   PHE  66           HZ       PHE  66  -6.187  -0.224   6.445
  493    H    ARG  67           H        ARG  67   0.208   2.178  10.631
  494    HA   ARG  67           HA       ARG  67   0.920   4.864  11.117
  495    HB2  ARG  67           HB3      ARG  67   1.099   3.097  12.823
  496    HB3  ARG  67           HB2      ARG  67   2.425   2.360  11.932
  497    HG2  ARG  67           HG3      ARG  67   3.402   3.672  13.692
  498    HG3  ARG  67           HG2      ARG  67   3.678   4.545  12.193
  499    HD2  ARG  67           HD3      ARG  67   1.902   6.097  12.666
  500    HD3  ARG  67           HD2      ARG  67   1.328   5.115  14.014
  501    HE   ARG  67           HE       ARG  67   4.073   5.940  14.406
  502   HH11  ARG  67          HH11      ARG  67   4.435   7.528  15.975
  503   HH12  ARG  67          HH12      ARG  67   3.109   8.488  16.537
  504   HH21  ARG  67          HH21      ARG  67   0.773   6.932  14.503
  505   HH22  ARG  67          HH22      ARG  67   1.035   8.152  15.704
  506    H    SER  68           H        SER  68   2.684   2.370   9.270
  507    HA   SER  68           HA       SER  68   4.264   4.584   8.068
  508    HB2  SER  68           HB3      SER  68   6.369   3.432   8.399
  509    HB3  SER  68           HB2      SER  68   5.580   3.598   9.966
  510    HG   SER  68           HG       SER  68   5.685   1.321   8.276
  511    H    ILE  69           H        ILE  69   5.138   4.055   5.982
  512    HA   ILE  69           HA       ILE  69   3.508   2.313   4.400
  513    HB   ILE  69           HB       ILE  69   6.217   3.520   3.769
  514   HG12  ILE  69          HG13      ILE  69   3.438   4.544   3.162
  515   HG13  ILE  69          HG12      ILE  69   4.470   5.165   4.441
  516   HG21  ILE  69          HG21      ILE  69   4.558   1.705   2.351
  517   HG22  ILE  69          HG22      ILE  69   6.022   2.507   1.783
  518   HG23  ILE  69          HG23      ILE  69   4.449   3.268   1.547
  519   HD11  ILE  69          HD11      ILE  69   4.454   5.963   1.737
  520   HD12  ILE  69          HD12      ILE  69   5.944   5.050   1.965
  521   HD13  ILE  69          HD13      ILE  69   5.602   6.450   2.982
  522    H    ARG  70           H        ARG  70   6.707   1.958   5.879
  523    HA   ARG  70           HA       ARG  70   7.473  -0.451   4.573
  524    HB2  ARG  70           HB3      ARG  70   8.127   0.543   7.362
  525    HB3  ARG  70           HB2      ARG  70   8.948  -0.795   6.559
  526    HG2  ARG  70           HG3      ARG  70   9.559   0.754   4.695
  527    HG3  ARG  70           HG2      ARG  70   8.842   2.082   5.608
  528    HD2  ARG  70           HD3      ARG  70  11.158   0.344   6.508
  529    HD3  ARG  70           HD2      ARG  70  11.259   2.028   5.993
  530    HE   ARG  70           HE       ARG  70   9.420   1.609   8.222
  531   HH11  ARG  70          HH11      ARG  70  10.052   2.550  10.178
  532   HH12  ARG  70          HH12      ARG  70  11.682   3.101  10.371
  533   HH21  ARG  70          HH21      ARG  70  12.661   2.154   7.182
  534   HH22  ARG  70          HH22      ARG  70  13.160   2.877   8.675
  535    H    SER  71           H        SER  71   5.455   0.104   7.447
  536    HA   SER  71           HA       SER  71   5.271  -2.596   8.308
  537    HB2  SER  71           HB3      SER  71   3.090  -0.494   8.415
  538    HB3  SER  71           HB2      SER  71   3.236  -1.911   9.447
  539    HG   SER  71           HG       SER  71   5.219  -1.035  10.202
  540    H    ILE  72           H        ILE  72   3.377  -0.776   5.907
  541    HA   ILE  72           HA       ILE  72   1.565  -2.914   5.297
  542    HB   ILE  72           HB       ILE  72   2.457  -0.568   3.598
  543   HG12  ILE  72          HG13      ILE  72   0.042  -0.895   5.410
  544   HG13  ILE  72          HG12      ILE  72   1.480   0.044   5.814
  545   HG21  ILE  72          HG21      ILE  72  -0.219  -1.375   3.105
  546   HG22  ILE  72          HG22      ILE  72   0.779  -2.828   3.054
  547   HG23  ILE  72          HG23      ILE  72   1.155  -1.462   2.004
  548   HD11  ILE  72          HD11      ILE  72  -0.345   0.542   3.443
  549   HD12  ILE  72          HD12      ILE  72   1.100   1.474   3.835
  550   HD13  ILE  72          HD13      ILE  72  -0.291   1.505   4.920
  551    H    ASP  73           H        ASP  73   4.698  -1.916   3.984
  552    HA   ASP  73           HA       ASP  73   4.784  -3.589   1.712
  553    HB2  ASP  73           HB3      ASP  73   7.017  -2.748   3.584
  554    HB3  ASP  73           HB2      ASP  73   7.262  -3.468   1.996
  555    H    ALA  74           H        ALA  74   5.564  -4.302   5.108
  556    HA   ALA  74           HA       ALA  74   6.577  -6.944   4.634
  557    HB1  ALA  74           HB1      ALA  74   6.919  -5.674   6.752
  558    HB2  ALA  74           HB2      ALA  74   6.266  -7.288   7.033
  559    HB3  ALA  74           HB3      ALA  74   5.207  -5.880   7.120
  560    H    PHE  75           H        PHE  75   3.318  -5.712   5.305
  561    HA   PHE  75           HA       PHE  75   2.036  -8.235   5.628
  562    HB2  PHE  75           HB3      PHE  75   0.994  -6.023   6.142
  563    HB3  PHE  75           HB2      PHE  75   0.856  -5.733   4.411
  564    HD1  PHE  75           HD1      PHE  75  -0.277  -7.876   7.209
  565    HD2  PHE  75           HD2      PHE  75  -0.797  -6.861   3.068
  566    HE1  PHE  75           HE1      PHE  75  -2.386  -9.180   7.155
  567    HE2  PHE  75           HE2      PHE  75  -2.907  -8.164   3.014
  568    HZ   PHE  75           HZ       PHE  75  -3.700  -9.324   5.057
  569    H    VAL  76           H        VAL  76   2.488  -6.242   2.695
  570    HA   VAL  76           HA       VAL  76   1.197  -8.079   0.924
  571    HB   VAL  76           HB       VAL  76   3.288  -5.936   0.466
  572   HG11  VAL  76          HG11      VAL  76   1.985  -7.887  -1.375
  573   HG12  VAL  76          HG12      VAL  76   3.598  -7.179  -1.448
  574   HG13  VAL  76          HG13      VAL  76   2.195  -6.232  -1.947
  575   HG21  VAL  76          HG21      VAL  76   0.729  -5.456  -0.732
  576   HG22  VAL  76          HG22      VAL  76   1.517  -4.546   0.557
  577   HG23  VAL  76          HG23      VAL  76   0.473  -5.909   0.954
  578    H    VAL  77           H        VAL  77   4.594  -7.691   1.918
  579    HA   VAL  77           HA       VAL  77   5.710  -9.602   0.138
  580    HB   VAL  77           HB       VAL  77   6.541  -8.682   2.898
  581   HG11  VAL  77          HG11      VAL  77   8.808  -9.628   2.043
  582   HG12  VAL  77          HG12      VAL  77   7.811 -10.596   0.958
  583   HG13  VAL  77          HG13      VAL  77   7.622 -10.753   2.703
  584   HG21  VAL  77          HG21      VAL  77   8.075  -8.076   0.422
  585   HG22  VAL  77          HG22      VAL  77   7.747  -7.053   1.821
  586   HG23  VAL  77          HG23      VAL  77   6.510  -7.279   0.585
  587    H    GLY  78           H        GLY  78   4.432  -9.971   3.449
  588    HA2  GLY  78           HA3      GLY  78   5.028 -12.762   3.678
  589    HA3  GLY  78           HA2      GLY  78   3.828 -11.899   4.637
  590    H    ALA  79           H        ALA  79   2.132 -11.048   2.505
  591    HA   ALA  79           HA       ALA  79   0.672 -13.538   2.073
  592    HB1  ALA  79           HB1      ALA  79  -1.102 -12.165   1.819
  593    HB2  ALA  79           HB2      ALA  79  -0.296 -11.254   0.542
  594    HB3  ALA  79           HB3      ALA  79  -0.016 -10.838   2.234
  595    H    THR  80           H        THR  80   2.177 -11.116  -0.059
  596    HA   THR  80           HA       THR  80   2.467 -13.265  -2.114
  597    HB   THR  80           HB       THR  80   1.851 -11.757  -3.863
  598    HG1  THR  80           HG1      THR  80   1.917  -9.649  -3.633
  599   HG21  THR  80          HG21      THR  80  -0.403 -11.547  -3.430
  600   HG22  THR  80          HG22      THR  80  -0.136 -10.860  -1.828
  601   HG23  THR  80          HG23      THR  80   0.045 -12.595  -2.084
  602    H    THR  81           H        THR  81   4.348 -12.907  -3.533
  603    HA   THR  81           HA       THR  81   6.271 -10.879  -2.525
  604    HB   THR  81           HB       THR  81   6.965 -12.789  -1.312
  605    HG1  THR  81           HG1      THR  81   8.481 -11.745  -3.025
  606   HG21  THR  81          HG21      THR  81   7.413 -14.938  -2.835
  607   HG22  THR  81          HG22      THR  81   6.117 -14.218  -3.790
  608   HG23  THR  81          HG23      THR  81   5.839 -14.636  -2.099
  609    HA   PRO  82           HA       PRO  82   6.085 -10.914  -7.146
  610    HB2  PRO  82           HB3      PRO  82   6.824  -8.087  -6.804
  611    HB3  PRO  82           HB2      PRO  82   5.435  -8.786  -7.653
  612    HG2  PRO  82           HG3      PRO  82   5.210  -7.444  -5.326
  613    HG3  PRO  82           HG2      PRO  82   4.120  -8.760  -5.794
  614    HD2  PRO  82           HD3      PRO  82   6.387  -8.796  -3.837
  615    HD3  PRO  82           HD2      PRO  82   4.832  -9.658  -3.785
  616    HA   PRO  83           HA       PRO  83  10.378 -10.847  -8.252
  617    HB2  PRO  83           HB3      PRO  83  10.211  -8.382  -9.887
  618    HB3  PRO  83           HB2      PRO  83  10.638 -10.031 -10.377
  619    HG2  PRO  83           HG3      PRO  83   8.302  -8.895 -11.040
  620    HG3  PRO  83           HG2      PRO  83   8.466 -10.632 -10.737
  621    HD2  PRO  83           HD3      PRO  83   7.272  -8.519  -8.991
  622    HD3  PRO  83           HD2      PRO  83   6.813 -10.226  -9.176
  623    H    VAL  84           H        VAL  84  12.409  -9.899  -7.643
  624    HA   VAL  84           HA       VAL  84  12.127  -7.665  -5.726
  625    HB   VAL  84           HB       VAL  84  13.394  -9.732  -5.109
  626   HG11  VAL  84          HG11      VAL  84  15.640  -8.802  -6.857
  627   HG12  VAL  84          HG12      VAL  84  14.353  -9.759  -7.589
  628   HG13  VAL  84          HG13      VAL  84  15.292 -10.421  -6.249
  629   HG21  VAL  84          HG21      VAL  84  15.594  -7.828  -5.064
  630   HG22  VAL  84          HG22      VAL  84  14.614  -8.427  -3.726
  631   HG23  VAL  84          HG23      VAL  84  14.064  -7.044  -4.672
  632    H    GLU  85           H        GLU  85  12.713  -5.625  -6.227
  633    HA   GLU  85           HA       GLU  85  14.634  -5.190  -8.459
  634    HB2  GLU  85           HB3      GLU  85  12.041  -3.675  -8.021
  635    HB3  GLU  85           HB2      GLU  85  13.247  -3.303  -9.253
  636    HG2  GLU  85           HG3      GLU  85  12.934  -5.576 -10.213
  637    HG3  GLU  85           HG2      GLU  85  11.671  -5.883  -9.021
  638    H    ALA  86           H        ALA  86  15.718  -3.057  -8.301
  639    HA   ALA  86           HA       ALA  86  16.319  -2.392  -5.531
  640    HB1  ALA  86           HB1      ALA  86  18.229  -1.800  -6.577
  641    HB2  ALA  86           HB2      ALA  86  17.377  -0.375  -7.173
  642    HB3  ALA  86           HB3      ALA  86  17.441  -1.840  -8.154
  643    H    LYS  87           H        LYS  87  15.181  -0.964  -4.316
  644    HA   LYS  87           HA       LYS  87  12.934   0.484  -5.287
  645    HB2  LYS  87           HB3      LYS  87  13.363  -0.101  -2.881
  646    HB3  LYS  87           HB2      LYS  87  14.595   1.161  -2.843
  647    HG2  LYS  87           HG3      LYS  87  12.887   2.832  -3.505
  648    HG3  LYS  87           HG2      LYS  87  11.658   1.566  -3.480
  649    HD2  LYS  87           HD3      LYS  87  12.255   1.137  -1.070
  650    HD3  LYS  87           HD2      LYS  87  13.296   2.559  -1.134
  651    HE2  LYS  87           HE3      LYS  87  10.991   3.025  -0.228
  652    HE3  LYS  87           HE2      LYS  87  11.416   3.995  -1.638
  653    HZ1  LYS  87           HZ1      LYS  87   9.945   1.434  -1.847
  654    HZ2  LYS  87           HZ2      LYS  87  10.128   2.635  -3.035
  655    HZ3  LYS  87           HZ3      LYS  87   9.157   2.925  -1.671
  656    H    LEU  88           H        LEU  88  16.321   1.434  -4.867
  657    HA   LEU  88           HA       LEU  88  15.677   4.141  -5.912
  658    HB2  LEU  88           HB3      LEU  88  17.136   3.925  -3.889
  659    HB3  LEU  88           HB2      LEU  88  18.311   3.055  -4.873
  660    HG   LEU  88           HG       LEU  88  18.386   5.045  -6.417
  661   HD11  LEU  88          HD11      LEU  88  16.451   6.286  -6.082
  662   HD12  LEU  88          HD12      LEU  88  17.589   7.193  -5.087
  663   HD13  LEU  88          HD13      LEU  88  16.477   6.052  -4.334
  664   HD21  LEU  88          HD21      LEU  88  20.149   4.763  -4.781
  665   HD22  LEU  88          HD22      LEU  88  19.127   5.416  -3.499
  666   HD23  LEU  88          HD23      LEU  88  19.697   6.468  -4.796
  667    H    GLN  89           H        GLN  89  16.140   4.668  -8.003
  668    HA   GLN  89           HA       GLN  89  17.136   2.619  -9.809
  669    HB2  GLN  89           HB3      GLN  89  16.541   5.562 -10.248
  670    HB3  GLN  89           HB2      GLN  89  16.923   4.414 -11.531
  671    HG2  GLN  89           HG3      GLN  89  14.966   3.059 -10.930
  672    HG3  GLN  89           HG2      GLN  89  14.592   4.164  -9.606
  673   HE21  GLN  89          HE21      GLN  89  12.714   3.727 -11.718
  674   HE22  GLN  89          HE22      GLN  89  12.577   5.159 -12.620
  675    H3   7V9 101          1H1       NIA 101 -11.066   2.979  10.459
  676    H4   7V9 101          2H1       NIA 101  -9.848   3.395   9.258
  677    H5   7V9 101          1HE1      NIA 101 -11.945   0.243   9.624
  678    H6   7V9 101          2HE1      NIA 101 -11.408   0.816  11.203
  679    H7   7V9 101          3HE1      NIA 101 -10.639  -0.589  10.465
  680    H8   7V9 101          2HE2      NIA 101  -7.977   1.707   9.807
  681    H9   7V9 101          3HE2      NIA 101  -8.529   0.297  10.710
  682    H10  7V9 101          1HE2      NIA 101  -8.915   1.918  11.285
  683    H11  7V9 101          3H        NIA 101  -9.006   1.376   7.729
  684    H12  7V9 101          3HO       NIA 101 -10.833   1.466   6.711
  685    H13  7V9 101          5H        NIA 101  -7.407  -0.290   7.744
  686    H14  7V9 101          1H6       NIA 101  -7.312  -1.910   9.969
  687    H15  7V9 101          2H6       NIA 101  -8.101  -2.931   8.769
  688    H16  7V9 101          1H7       NIA 101  -5.647  -3.292   8.811
  689    H17  7V9 101          2H7       NIA 101  -5.404  -1.593   8.411
  690    H18  7V9 101          9H        NIA 101  -4.787  -1.551   6.218
  691    H19  7V9 101          1H10      NIA 101  -5.588  -4.006   4.716
  692    H20  7V9 101          2H10      NIA 101  -5.531  -2.442   3.905
  693    H21  7V9 101          1H11      NIA 101  -3.309  -4.218   4.754
  694    H22  7V9 101          2H11      NIA 101  -3.051  -2.492   5.004
  695    H25  7V9 101          5H1       NIA 101  -1.194  -4.187   1.470
  696    H26  7V9 101          7H1       NIA 101  -1.867  -3.916  -2.661
  697    H27  7V9 101          8H1       NIA 101  -4.214  -4.662  -2.368
  698    H28  7V9 101          9H1       NIA 101  -5.035  -5.223  -0.101
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1  10.453  -1.409   1.666
    2    H2   MET   1           H2       MET   1   9.775  -2.136   0.288
    3    H3   MET   1           H3       MET   1  11.344  -1.486   0.225
    4    HA   MET   1           HA       MET   1  12.253  -3.178   1.512
    5    HB2  MET   1           HB3      MET   1   9.391  -3.942   2.173
    6    HB3  MET   1           HB2      MET   1  10.831  -4.789   2.737
    7    HG2  MET   1           HG3      MET   1  11.599  -2.635   3.788
    8    HG3  MET   1           HG2      MET   1  10.039  -1.933   3.362
    9    HE1  MET   1           HE1      MET   1  11.114  -5.059   6.462
   10    HE2  MET   1           HE2      MET   1  12.064  -4.422   5.123
   11    HE3  MET   1           HE3      MET   1  10.892  -5.705   4.830
   12    H    GLN   2           H        GLN   2  10.533  -5.759   1.285
   13    HA   GLN   2           HA       GLN   2  11.559  -6.640  -1.218
   14    HB2  GLN   2           HB3      GLN   2   9.222  -7.712   0.392
   15    HB3  GLN   2           HB2      GLN   2  10.008  -8.566  -0.935
   16    HG2  GLN   2           HG3      GLN   2  12.142  -8.530   0.289
   17    HG3  GLN   2           HG2      GLN   2  11.373  -7.653   1.613
   18   HE21  GLN   2          HE21      GLN   2  12.554 -10.191   2.100
   19   HE22  GLN   2          HE22      GLN   2  11.325 -11.313   2.433
   20    H    HIS   3           H        HIS   3   8.392  -5.299  -0.328
   21    HA   HIS   3           HA       HIS   3   7.870  -4.883  -3.231
   22    HB2  HIS   3           HB3      HIS   3   5.771  -5.903  -1.299
   23    HB3  HIS   3           HB2      HIS   3   5.611  -5.704  -3.045
   24    HD1  HIS   3           HD1      HIS   3   6.979  -7.994  -0.442
   25    HD2  HIS   3           HD2      HIS   3   7.054  -7.663  -4.600
   26    HE1  HIS   3           HE1      HIS   3   7.864 -10.200  -1.322
   27    HE2  HIS   3           HE2      HIS   3   7.912 -10.010  -3.851
   28    H    ALA   4           H        ALA   4   8.310  -3.449  -0.359
   29    HA   ALA   4           HA       ALA   4   6.066  -1.751   0.023
   30    HB1  ALA   4           HB1      ALA   4   7.386  -0.617   1.527
   31    HB2  ALA   4           HB2      ALA   4   8.786  -0.613   0.457
   32    HB3  ALA   4           HB3      ALA   4   8.369  -2.070   1.359
   33    H    SER   5           H        SER   5   8.786  -1.516  -2.230
   34    HA   SER   5           HA       SER   5   8.399   1.176  -3.043
   35    HB2  SER   5           HB3      SER   5  10.335  -0.294  -3.701
   36    HB3  SER   5           HB2      SER   5   9.256  -1.125  -4.818
   37    HG   SER   5           HG       SER   5   9.678   1.681  -4.814
   38    H    VAL   6           H        VAL   6   6.938  -1.824  -4.289
   39    HA   VAL   6           HA       VAL   6   5.359  -0.538  -6.313
   40    HB   VAL   6           HB       VAL   6   4.944  -3.133  -4.814
   41   HG11  VAL   6          HG11      VAL   6   3.346  -1.744  -6.917
   42   HG12  VAL   6          HG12      VAL   6   2.806  -2.811  -5.621
   43   HG13  VAL   6          HG13      VAL   6   3.547  -3.489  -7.072
   44   HG21  VAL   6          HG21      VAL   6   6.956  -2.655  -6.448
   45   HG22  VAL   6          HG22      VAL   6   5.728  -2.845  -7.700
   46   HG23  VAL   6          HG23      VAL   6   6.062  -4.169  -6.585
   47    H    ILE   7           H        ILE   7   4.845  -1.246  -2.907
   48    HA   ILE   7           HA       ILE   7   2.080  -0.500  -2.811
   49    HB   ILE   7           HB       ILE   7   4.201  -0.441  -0.648
   50   HG12  ILE   7          HG13      ILE   7   2.115  -2.547  -1.308
   51   HG13  ILE   7          HG12      ILE   7   3.810  -2.648  -1.789
   52   HG21  ILE   7          HG21      ILE   7   2.282   0.896   0.011
   53   HG22  ILE   7          HG22      ILE   7   2.203  -0.644   0.866
   54   HG23  ILE   7          HG23      ILE   7   1.169  -0.359  -0.533
   55   HD11  ILE   7          HD11      ILE   7   4.317  -3.502   0.223
   56   HD12  ILE   7          HD12      ILE   7   2.633  -3.354   0.725
   57   HD13  ILE   7          HD13      ILE   7   3.753  -2.016   0.985
   58    H    ALA   8           H        ALA   8   5.079   1.349  -2.252
   59    HA   ALA   8           HA       ALA   8   3.803   3.761  -1.411
   60    HB1  ALA   8           HB1      ALA   8   6.020   4.032  -1.006
   61    HB2  ALA   8           HB2      ALA   8   6.077   4.644  -2.659
   62    HB3  ALA   8           HB3      ALA   8   6.485   2.960  -2.328
   63    H    GLN   9           H        GLN   9   4.977   2.812  -4.652
   64    HA   GLN   9           HA       GLN   9   3.904   5.187  -5.902
   65    HB2  GLN   9           HB3      GLN   9   4.237   3.850  -8.046
   66    HB3  GLN   9           HB2      GLN   9   5.682   4.089  -7.066
   67    HG2  GLN   9           HG3      GLN   9   5.957   1.863  -6.976
   68    HG3  GLN   9           HG2      GLN   9   4.426   1.731  -6.116
   69   HE21  GLN   9          HE21      GLN   9   2.420   1.551  -7.523
   70   HE22  GLN   9          HE22      GLN   9   2.564   0.820  -9.047
   71    H    PHE  10           H        PHE  10   2.753   1.844  -5.571
   72    HA   PHE  10           HA       PHE  10   0.371   2.161  -7.114
   73    HB2  PHE  10           HB3      PHE  10   1.294  -0.036  -6.366
   74    HB3  PHE  10           HB2      PHE  10   0.804   0.354  -4.717
   75    HD1  PHE  10           HD1      PHE  10  -1.516   0.304  -4.044
   76    HD2  PHE  10           HD2      PHE  10  -0.400  -0.399  -8.132
   77    HE1  PHE  10           HE1      PHE  10  -3.803  -0.524  -4.526
   78    HE2  PHE  10           HE2      PHE  10  -2.687  -1.225  -8.615
   79    HZ   PHE  10           HZ       PHE  10  -4.388  -1.287  -6.812
   80    H    VAL  11           H        VAL  11   0.929   2.458  -3.604
   81    HA   VAL  11           HA       VAL  11  -1.761   3.241  -2.971
   82    HB   VAL  11           HB       VAL  11   0.870   3.736  -1.549
   83   HG11  VAL  11          HG11      VAL  11  -1.109   3.909   0.348
   84   HG12  VAL  11          HG12      VAL  11  -1.853   4.724  -1.029
   85   HG13  VAL  11          HG13      VAL  11  -0.309   5.293  -0.396
   86   HG21  VAL  11          HG21      VAL  11  -1.397   1.852  -0.853
   87   HG22  VAL  11          HG22      VAL  11   0.231   1.875  -0.178
   88   HG23  VAL  11          HG23      VAL  11  -0.024   1.363  -1.847
   89    H    VAL  12           H        VAL  12   1.196   5.116  -3.613
   90    HA   VAL  12           HA       VAL  12  -0.015   7.689  -3.259
   91    HB   VAL  12           HB       VAL  12   2.395   6.820  -4.858
   92   HG11  VAL  12          HG11      VAL  12   1.010   9.376  -4.712
   93   HG12  VAL  12          HG12      VAL  12   2.348   8.886  -5.751
   94   HG13  VAL  12          HG13      VAL  12   2.671   9.502  -4.132
   95   HG21  VAL  12          HG21      VAL  12   2.607   8.432  -2.378
   96   HG22  VAL  12          HG22      VAL  12   3.612   7.097  -2.940
   97   HG23  VAL  12          HG23      VAL  12   2.062   6.767  -2.168
   98    H    GLU  13           H        GLU  13   0.339   5.556  -6.055
   99    HA   GLU  13           HA       GLU  13  -0.429   7.296  -8.116
  100    HB2  GLU  13           HB3      GLU  13   0.293   4.929  -8.434
  101    HB3  GLU  13           HB2      GLU  13  -1.279   4.412  -7.836
  102    HG2  GLU  13           HG3      GLU  13  -2.371   5.713  -9.654
  103    HG3  GLU  13           HG2      GLU  13  -0.774   6.113 -10.280
  104    H    GLU  14           H        GLU  14  -2.407   5.784  -5.636
  105    HA   GLU  14           HA       GLU  14  -4.955   6.283  -6.856
  106    HB2  GLU  14           HB3      GLU  14  -4.176   6.040  -3.936
  107    HB3  GLU  14           HB2      GLU  14  -5.838   6.058  -4.526
  108    HG2  GLU  14           HG3      GLU  14  -5.339   4.070  -5.930
  109    HG3  GLU  14           HG2      GLU  14  -3.706   4.032  -5.263
  110    H    PHE  15           H        PHE  15  -2.774   8.292  -4.956
  111    HA   PHE  15           HA       PHE  15  -4.493  10.624  -5.611
  112    HB2  PHE  15           HB3      PHE  15  -4.423  11.473  -3.333
  113    HB3  PHE  15           HB2      PHE  15  -5.108   9.849  -3.310
  114    HD1  PHE  15           HD1      PHE  15  -3.603   7.889  -2.727
  115    HD2  PHE  15           HD2      PHE  15  -2.423  11.979  -2.148
  116    HE1  PHE  15           HE1      PHE  15  -1.827   7.155  -1.160
  117    HE2  PHE  15           HE2      PHE  15  -0.645  11.244  -0.586
  118    HZ   PHE  15           HZ       PHE  15  -0.346   8.832  -0.091
  119    H    LEU  16           H        LEU  16  -2.066   9.914  -6.843
  120    HA   LEU  16           HA       LEU  16   0.105  11.348  -5.547
  121    HB2  LEU  16           HB3      LEU  16   1.474  10.446  -7.130
  122    HB3  LEU  16           HB2      LEU  16   0.142   9.323  -7.281
  123    HG   LEU  16           HG       LEU  16   0.608  11.754  -9.044
  124   HD11  LEU  16          HD11      LEU  16   0.720   8.845  -9.825
  125   HD12  LEU  16          HD12      LEU  16   2.146   9.710  -9.251
  126   HD13  LEU  16          HD13      LEU  16   1.321  10.244 -10.715
  127   HD21  LEU  16          HD21      LEU  16  -1.253   9.630  -9.901
  128   HD22  LEU  16          HD22      LEU  16  -1.430  11.380 -10.002
  129   HD23  LEU  16          HD23      LEU  16  -1.814  10.542  -8.504
  130    HA   PRO  17           HA       PRO  17  -1.118  15.252  -7.398
  131    HB2  PRO  17           HB3      PRO  17   0.917  16.784  -6.457
  132    HB3  PRO  17           HB2      PRO  17  -0.377  16.196  -5.398
  133    HG2  PRO  17           HG3      PRO  17   2.389  15.156  -5.758
  134    HG3  PRO  17           HG2      PRO  17   1.442  15.352  -4.275
  135    HD2  PRO  17           HD3      PRO  17   1.742  12.949  -5.589
  136    HD3  PRO  17           HD2      PRO  17   0.360  13.349  -4.548
  137    H    ASP  18           H        ASP  18   1.046  17.085  -8.176
  138    HA   ASP  18           HA       ASP  18   1.717  15.886 -10.748
  139    HB2  ASP  18           HB3      ASP  18   2.400  18.548  -9.490
  140    HB3  ASP  18           HB2      ASP  18   2.854  18.094 -11.127
  141    H    VAL  19           H        VAL  19   2.899  15.023  -7.993
  142    HA   VAL  19           HA       VAL  19   5.784  15.253  -8.762
  143    HB   VAL  19           HB       VAL  19   4.597  14.626  -6.044
  144   HG11  VAL  19          HG11      VAL  19   6.753  13.745  -5.998
  145   HG12  VAL  19          HG12      VAL  19   7.052  15.402  -5.474
  146   HG13  VAL  19          HG13      VAL  19   7.373  14.934  -7.144
  147   HG21  VAL  19          HG21      VAL  19   5.925  17.195  -6.944
  148   HG22  VAL  19          HG22      VAL  19   5.051  16.900  -5.440
  149   HG23  VAL  19          HG23      VAL  19   4.176  16.973  -6.970
  150    H    ALA  20           H        ALA  20   6.904  13.369  -9.148
  151    HA   ALA  20           HA       ALA  20   5.414  10.908  -9.437
  152    HB1  ALA  20           HB1      ALA  20   8.002  11.924 -10.201
  153    HB2  ALA  20           HB2      ALA  20   7.112  10.557 -10.872
  154    HB3  ALA  20           HB3      ALA  20   8.177  10.321  -9.486
  155    HA   PRO  21           HA       PRO  21   5.735   9.290  -5.277
  156    HB2  PRO  21           HB3      PRO  21   6.510   6.710  -6.538
  157    HB3  PRO  21           HB2      PRO  21   5.200   7.061  -5.398
  158    HG2  PRO  21           HG3      PRO  21   4.800   6.614  -8.032
  159    HG3  PRO  21           HG2      PRO  21   3.746   7.630  -7.039
  160    HD2  PRO  21           HD3      PRO  21   5.640   8.432  -9.153
  161    HD3  PRO  21           HD2      PRO  21   4.257   9.313  -8.468
  162    H    ALA  22           H        ALA  22   8.272   8.679  -7.643
  163    HA   ALA  22           HA       ALA  22  10.280   7.729  -5.831
  164    HB1  ALA  22           HB1      ALA  22  10.614   7.436  -8.199
  165    HB2  ALA  22           HB2      ALA  22  11.872   8.535  -7.633
  166    HB3  ALA  22           HB3      ALA  22  10.467   9.169  -8.490
  167    H    ASP  23           H        ASP  23   9.055  10.908  -6.554
  168    HA   ASP  23           HA       ASP  23  11.304  12.202  -5.118
  169    HB2  ASP  23           HB3      ASP  23   8.917  13.336  -6.605
  170    HB3  ASP  23           HB2      ASP  23  10.127  14.322  -5.784
  171    H    VAL  24           H        VAL  24   8.668  10.595  -4.195
  172    HA   VAL  24           HA       VAL  24   7.856  12.554  -2.098
  173    HB   VAL  24           HB       VAL  24   6.562   9.921  -2.877
  174   HG11  VAL  24          HG11      VAL  24   6.289  11.532  -0.582
  175   HG12  VAL  24          HG12      VAL  24   5.215  10.231  -1.099
  176   HG13  VAL  24          HG13      VAL  24   4.882  11.894  -1.583
  177   HG21  VAL  24          HG21      VAL  24   4.932  11.243  -4.080
  178   HG22  VAL  24          HG22      VAL  24   6.530  11.715  -4.659
  179   HG23  VAL  24          HG23      VAL  24   5.665  12.746  -3.520
  180    H    ASP  25           H        ASP  25   8.338  12.126   0.040
  181    HA   ASP  25           HA       ASP  25  10.330  10.122   0.617
  182    HB2  ASP  25           HB3      ASP  25   8.624  11.839   2.445
  183    HB3  ASP  25           HB2      ASP  25   9.955  10.821   2.999
  184    H    VAL  26           H        VAL  26   9.357   8.111   0.007
  185    HA   VAL  26           HA       VAL  26   6.825   7.183   0.928
  186    HB   VAL  26           HB       VAL  26   7.610   4.963   0.350
  187   HG11  VAL  26          HG11      VAL  26   8.689   5.466  -1.897
  188   HG12  VAL  26          HG12      VAL  26   8.729   7.159  -1.408
  189   HG13  VAL  26          HG13      VAL  26   7.184   6.328  -1.579
  190   HG21  VAL  26          HG21      VAL  26  10.209   6.171   1.053
  191   HG22  VAL  26          HG22      VAL  26  10.251   5.147  -0.381
  192   HG23  VAL  26          HG23      VAL  26   9.688   4.490   1.155
  193    H    ASP  27           H        ASP  27   9.381   8.118   2.775
  194    HA   ASP  27           HA       ASP  27   9.070   6.021   4.845
  195    HB2  ASP  27           HB3      ASP  27  10.844   8.478   4.687
  196    HB3  ASP  27           HB2      ASP  27  10.833   7.349   6.041
  197    H    LEU  28           H        LEU  28   7.203   8.426   3.924
  198    HA   LEU  28           HA       LEU  28   6.798   9.759   6.528
  199    HB2  LEU  28           HB3      LEU  28   6.637  11.012   4.362
  200    HB3  LEU  28           HB2      LEU  28   5.225  10.041   3.953
  201    HG   LEU  28           HG       LEU  28   4.396  10.858   6.345
  202   HD11  LEU  28          HD11      LEU  28   6.731  12.071   6.500
  203   HD12  LEU  28          HD12      LEU  28   5.279  12.867   7.108
  204   HD13  LEU  28          HD13      LEU  28   5.926  13.302   5.527
  205   HD21  LEU  28          HD21      LEU  28   3.404  12.884   5.156
  206   HD22  LEU  28          HD22      LEU  28   3.145  11.332   4.357
  207   HD23  LEU  28          HD23      LEU  28   4.387  12.435   3.761
  208    H    ASP  29           H        ASP  29   5.112   9.289   7.908
  209    HA   ASP  29           HA       ASP  29   3.764   6.777   7.663
  210    HB2  ASP  29           HB3      ASP  29   3.125   9.210   9.363
  211    HB3  ASP  29           HB2      ASP  29   2.339   7.641   9.545
  212    H    LEU  30           H        LEU  30   2.095   6.312   6.318
  213    HA   LEU  30           HA       LEU  30   0.831   8.355   4.734
  214    HB2  LEU  30           HB3      LEU  30  -0.648   6.494   3.963
  215    HB3  LEU  30           HB2      LEU  30   1.067   6.090   3.867
  216    HG   LEU  30           HG       LEU  30  -0.077   5.436   6.473
  217   HD11  LEU  30          HD11      LEU  30  -2.119   4.958   5.333
  218   HD12  LEU  30          HD12      LEU  30  -1.299   3.405   5.508
  219   HD13  LEU  30          HD13      LEU  30  -1.269   4.250   3.960
  220   HD21  LEU  30          HD21      LEU  30   1.223   3.705   4.352
  221   HD22  LEU  30          HD22      LEU  30   1.107   3.360   6.077
  222   HD23  LEU  30          HD23      LEU  30   2.123   4.686   5.508
  223    H    VAL  31           H        VAL  31   0.475   8.039   7.897
  224    HA   VAL  31           HA       VAL  31  -2.271   7.658   8.435
  225    HB   VAL  31           HB       VAL  31  -0.387   9.657   9.727
  226   HG11  VAL  31          HG11      VAL  31  -2.252  10.289  10.837
  227   HG12  VAL  31          HG12      VAL  31  -2.189   8.711  11.621
  228   HG13  VAL  31          HG13      VAL  31  -3.185   8.942  10.183
  229   HG21  VAL  31          HG21      VAL  31  -0.106   6.930   9.600
  230   HG22  VAL  31          HG22      VAL  31  -1.033   7.128  11.088
  231   HG23  VAL  31          HG23      VAL  31   0.521   7.943  10.900
  232    H    ASP  32           H        ASP  32  -0.534  10.587   7.443
  233    HA   ASP  32           HA       ASP  32  -2.721  12.394   7.485
  234    HB2  ASP  32           HB3      ASP  32  -0.351  12.249   5.592
  235    HB3  ASP  32           HB2      ASP  32  -1.463  13.616   5.677
  236    H    ASN  33           H        ASN  33  -1.707   9.991   5.126
  237    HA   ASN  33           HA       ASN  33  -3.884  10.684   3.277
  238    HB2  ASN  33           HB3      ASN  33  -1.930   8.377   3.225
  239    HB3  ASN  33           HB2      ASN  33  -3.009   8.844   1.912
  240   HD21  ASN  33          HD21      ASN  33   0.117   8.960   2.478
  241   HD22  ASN  33          HD22      ASN  33   0.527  10.497   1.887
  242    H    GLY  34           H        GLY  34  -4.155   9.559   6.144
  243    HA2  GLY  34           HA3      GLY  34  -5.081   6.967   6.296
  244    HA3  GLY  34           HA2      GLY  34  -5.871   8.292   7.154
  245    H    VAL  35           H        VAL  35  -6.296   9.429   4.263
  246    HA   VAL  35           HA       VAL  35  -9.028   8.784   3.995
  247    HB   VAL  35           HB       VAL  35  -6.988   9.582   1.898
  248   HG11  VAL  35          HG11      VAL  35  -9.794   8.745   1.637
  249   HG12  VAL  35          HG12      VAL  35  -8.554   8.925   0.395
  250   HG13  VAL  35          HG13      VAL  35  -9.465  10.333   0.944
  251   HG21  VAL  35          HG21      VAL  35  -7.644  11.133   3.849
  252   HG22  VAL  35          HG22      VAL  35  -9.235  11.215   3.092
  253   HG23  VAL  35          HG23      VAL  35  -7.813  11.790   2.220
  254    H    ILE  36           H        ILE  36  -6.172   7.154   2.715
  255    HA   ILE  36           HA       ILE  36  -7.599   5.250   1.083
  256    HB   ILE  36           HB       ILE  36  -5.056   5.928   1.112
  257   HG12  ILE  36          HG13      ILE  36  -6.203   3.169   0.654
  258   HG13  ILE  36          HG12      ILE  36  -5.803   4.399  -0.546
  259   HG21  ILE  36          HG21      ILE  36  -4.918   3.459   2.840
  260   HG22  ILE  36          HG22      ILE  36  -4.968   5.067   3.565
  261   HG23  ILE  36          HG23      ILE  36  -3.645   4.628   2.485
  262   HD11  ILE  36          HD11      ILE  36  -3.930   3.088  -0.781
  263   HD12  ILE  36          HD12      ILE  36  -4.015   2.489   0.876
  264   HD13  ILE  36          HD13      ILE  36  -3.374   4.098   0.553
  265    H    ASP  37           H        ASP  37  -6.888   5.443   4.482
  266    HA   ASP  37           HA       ASP  37  -6.846   2.745   5.233
  267    HB2  ASP  37           HB3      ASP  37  -8.070   5.095   6.695
  268    HB3  ASP  37           HB2      ASP  37  -7.786   3.515   7.420
  269    H    SER  38           H        SER  38  -9.669   4.699   4.348
  270    HA   SER  38           HA       SER  38 -11.341   2.260   4.818
  271    HB2  SER  38          2HB       SER  38 -11.791   5.107   5.403
  272    HB3  SER  38          1HB       SER  38 -13.148   4.299   4.624
  273    H    LEU  39           H        LEU  39 -11.571   5.211   2.791
  274    HA   LEU  39           HA       LEU  39 -13.168   3.945   0.808
  275    HB2  LEU  39           HB3      LEU  39 -12.929   6.409   1.077
  276    HB3  LEU  39           HB2      LEU  39 -11.294   6.284   0.435
  277    HG   LEU  39           HG       LEU  39 -13.351   4.978  -1.220
  278   HD11  LEU  39          HD11      LEU  39 -14.031   7.230  -2.183
  279   HD12  LEU  39          HD12      LEU  39 -13.331   7.969  -0.743
  280   HD13  LEU  39          HD13      LEU  39 -14.700   6.867  -0.593
  281   HD21  LEU  39          HD21      LEU  39 -11.394   7.119  -2.034
  282   HD22  LEU  39          HD22      LEU  39 -11.980   5.745  -2.971
  283   HD23  LEU  39          HD23      LEU  39 -10.826   5.490  -1.663
  284    H    GLY  40           H        GLY  40  -9.681   4.673   0.751
  285    HA2  GLY  40           HA3      GLY  40  -9.242   3.224  -1.706
  286    HA3  GLY  40           HA2      GLY  40  -7.991   3.795  -0.610
  287    H    LEU  41           H        LEU  41  -8.946   2.415   1.723
  288    HA   LEU  41           HA       LEU  41  -7.581  -0.045   1.473
  289    HB2  LEU  41           HB3      LEU  41  -8.058   1.138   3.612
  290    HB3  LEU  41           HB2      LEU  41  -9.749   0.670   3.463
  291    HG   LEU  41           HG       LEU  41  -8.857  -1.751   3.294
  292   HD11  LEU  41          HD11      LEU  41  -6.424  -0.258   4.298
  293   HD12  LEU  41          HD12      LEU  41  -6.521  -1.407   2.964
  294   HD13  LEU  41          HD13      LEU  41  -6.674  -1.971   4.627
  295   HD21  LEU  41          HD21      LEU  41  -8.451  -0.290   5.916
  296   HD22  LEU  41          HD22      LEU  41  -8.915  -1.974   5.697
  297   HD23  LEU  41          HD23      LEU  41 -10.038  -0.692   5.259
  298    H    LEU  42           H        LEU  42 -11.085   0.629   1.329
  299    HA   LEU  42           HA       LEU  42 -11.861  -2.117   1.033
  300    HB2  LEU  42           HB3      LEU  42 -13.221   0.444   0.172
  301    HB3  LEU  42           HB2      LEU  42 -13.980  -1.137   0.093
  302    HG   LEU  42           HG       LEU  42 -12.874   0.125   2.615
  303   HD11  LEU  42          HD11      LEU  42 -15.649  -0.268   2.811
  304   HD12  LEU  42          HD12      LEU  42 -15.399   0.447   1.219
  305   HD13  LEU  42          HD13      LEU  42 -14.814   1.278   2.660
  306   HD21  LEU  42          HD21      LEU  42 -12.867  -2.078   3.198
  307   HD22  LEU  42          HD22      LEU  42 -13.944  -2.528   1.879
  308   HD23  LEU  42          HD23      LEU  42 -14.606  -1.841   3.361
  309    H    LYS  43           H        LYS  43 -11.155   0.441  -1.345
  310    HA   LYS  43           HA       LYS  43 -11.751  -1.124  -3.655
  311    HB2  LYS  43           HB3      LYS  43  -9.836   1.183  -3.268
  312    HB3  LYS  43           HB2      LYS  43 -10.279   0.520  -4.836
  313    HG2  LYS  43           HG3      LYS  43 -12.678   0.985  -4.303
  314    HG3  LYS  43           HG2      LYS  43 -12.155   1.773  -2.814
  315    HD2  LYS  43           HD3      LYS  43 -10.776   3.346  -4.164
  316    HD3  LYS  43           HD2      LYS  43 -11.401   2.595  -5.634
  317    HE2  LYS  43           HE3      LYS  43 -13.666   3.257  -5.082
  318    HE3  LYS  43           HE2      LYS  43 -13.152   3.851  -3.503
  319    HZ1  LYS  43           HZ1      LYS  43 -13.023   5.131  -6.057
  320    HZ2  LYS  43           HZ2      LYS  43 -11.521   5.139  -5.264
  321    HZ3  LYS  43           HZ3      LYS  43 -12.888   5.802  -4.505
  322    H    VAL  44           H        VAL  44  -8.867  -0.828  -1.651
  323    HA   VAL  44           HA       VAL  44  -7.026  -2.153  -3.368
  324    HB   VAL  44           HB       VAL  44  -7.192  -2.042  -0.347
  325   HG11  VAL  44          HG11      VAL  44  -5.031  -3.103  -2.184
  326   HG12  VAL  44          HG12      VAL  44  -5.870  -3.975  -0.901
  327   HG13  VAL  44          HG13      VAL  44  -4.744  -2.680  -0.496
  328   HG21  VAL  44          HG21      VAL  44  -6.467  -0.155  -2.352
  329   HG22  VAL  44          HG22      VAL  44  -4.979  -0.655  -1.547
  330   HG23  VAL  44          HG23      VAL  44  -6.310   0.016  -0.603
  331    H    ILE  45           H        ILE  45  -9.302  -3.465  -0.965
  332    HA   ILE  45           HA       ILE  45  -8.471  -6.167  -1.084
  333    HB   ILE  45           HB       ILE  45 -11.292  -5.114  -0.733
  334   HG12  ILE  45          HG13      ILE  45  -9.836  -3.999   0.854
  335   HG13  ILE  45          HG12      ILE  45 -10.717  -5.256   1.718
  336   HG21  ILE  45          HG21      ILE  45 -11.187  -7.521  -1.096
  337   HG22  ILE  45          HG22      ILE  45 -11.564  -7.191   0.594
  338   HG23  ILE  45          HG23      ILE  45  -9.932  -7.674   0.132
  339   HD11  ILE  45          HD11      ILE  45  -8.526  -5.603   2.457
  340   HD12  ILE  45          HD12      ILE  45  -7.828  -5.201   0.889
  341   HD13  ILE  45          HD13      ILE  45  -8.644  -6.747   1.122
  342    H    ALA  46           H        ALA  46 -11.020  -4.512  -2.980
  343    HA   ALA  46           HA       ALA  46 -11.605  -6.813  -4.606
  344    HB1  ALA  46           HB1      ALA  46 -11.988  -3.898  -5.346
  345    HB2  ALA  46           HB2      ALA  46 -13.102  -4.806  -4.322
  346    HB3  ALA  46           HB3      ALA  46 -12.859  -5.285  -6.002
  347    H    TRP  47           H        TRP  47  -9.327  -4.133  -4.937
  348    HA   TRP  47           HA       TRP  47  -8.566  -4.675  -7.652
  349    HB2  TRP  47           HB3      TRP  47  -7.968  -2.549  -6.776
  350    HB3  TRP  47           HB2      TRP  47  -7.208  -3.262  -5.354
  351    HD1  TRP  47           HD1      TRP  47  -6.670  -2.822  -9.127
  352    HE1  TRP  47           HE1      TRP  47  -4.159  -3.126  -9.631
  353    HE3  TRP  47           HE3      TRP  47  -5.017  -4.272  -4.520
  354    HZ2  TRP  47           HZ2      TRP  47  -1.766  -3.884  -8.258
  355    HZ3  TRP  47           HZ3      TRP  47  -2.620  -4.776  -4.145
  356    HH2  TRP  47           HH2      TRP  47  -0.994  -4.585  -6.005
  357    H    LEU  48           H        LEU  48  -7.272  -5.763  -4.528
  358    HA   LEU  48           HA       LEU  48  -5.013  -7.153  -5.540
  359    HB2  LEU  48           HB3      LEU  48  -5.527  -6.625  -3.118
  360    HB3  LEU  48           HB2      LEU  48  -6.679  -7.951  -3.144
  361    HG   LEU  48           HG       LEU  48  -4.655  -9.320  -4.088
  362   HD11  LEU  48          HD11      LEU  48  -3.008  -7.575  -2.356
  363   HD12  LEU  48          HD12      LEU  48  -3.429  -6.906  -3.932
  364   HD13  LEU  48          HD13      LEU  48  -2.564  -8.439  -3.827
  365   HD21  LEU  48          HD21      LEU  48  -5.337 -10.151  -2.062
  366   HD22  LEU  48          HD22      LEU  48  -5.425  -8.550  -1.326
  367   HD23  LEU  48          HD23      LEU  48  -3.868  -9.361  -1.490
  368    H    GLU  49           H        GLU  49  -8.354  -8.260  -4.968
  369    HA   GLU  49           HA       GLU  49  -7.862 -10.979  -5.767
  370    HB2  GLU  49           HB3      GLU  49  -9.839 -10.329  -4.446
  371    HB3  GLU  49           HB2      GLU  49 -10.447  -9.395  -5.805
  372    HG2  GLU  49           HG3      GLU  49 -10.514 -11.458  -7.168
  373    HG3  GLU  49           HG2      GLU  49  -9.967 -12.379  -5.773
  374    H    ASP  50           H        ASP  50  -8.858  -8.080  -7.551
  375    HA   ASP  50           HA       ASP  50  -9.550  -9.357  -9.987
  376    HB2  ASP  50           HB3      ASP  50  -9.929  -6.937  -9.409
  377    HB3  ASP  50           HB2      ASP  50  -8.216  -6.664  -9.721
  378    H    ARG  51           H        ARG  51  -6.386  -8.124  -8.890
  379    HA   ARG  51           HA       ARG  51  -5.112  -9.128 -11.339
  380    HB2  ARG  51           HB3      ARG  51  -4.032  -7.748  -8.875
  381    HB3  ARG  51           HB2      ARG  51  -3.030  -8.248 -10.233
  382    HG2  ARG  51           HG3      ARG  51  -4.432  -6.872 -11.754
  383    HG3  ARG  51           HG2      ARG  51  -5.373  -6.331 -10.363
  384    HD2  ARG  51           HD3      ARG  51  -3.714  -4.636 -10.812
  385    HD3  ARG  51           HD2      ARG  51  -3.222  -5.485  -9.348
  386    HE   ARG  51           HE       ARG  51  -1.388  -6.423 -10.544
  387   HH11  ARG  51          HH11      ARG  51  -0.008  -6.417 -12.332
  388   HH12  ARG  51          HH12      ARG  51  -0.529  -5.680 -13.810
  389   HH21  ARG  51          HH21      ARG  51  -3.625  -4.744 -12.564
  390   HH22  ARG  51          HH22      ARG  51  -2.576  -4.734 -13.941
  391    H    PHE  52           H        PHE  52  -4.705  -9.787  -7.829
  392    HA   PHE  52           HA       PHE  52  -3.019 -12.088  -8.401
  393    HB2  PHE  52           HB3      PHE  52  -4.250 -11.063  -5.835
  394    HB3  PHE  52           HB2      PHE  52  -3.111 -12.403  -5.927
  395    HD1  PHE  52           HD1      PHE  52  -3.529  -8.778  -6.157
  396    HD2  PHE  52           HD2      PHE  52  -0.778 -12.035  -6.673
  397    HE1  PHE  52           HE1      PHE  52  -1.638  -7.174  -6.189
  398    HE2  PHE  52           HE2      PHE  52   1.115 -10.432  -6.706
  399    HZ   PHE  52           HZ       PHE  52   0.684  -8.002  -6.464
  400    H    GLY  53           H        GLY  53  -6.451 -11.631  -7.834
  401    HA2  GLY  53           HA3      GLY  53  -8.161 -13.257  -8.131
  402    HA3  GLY  53           HA2      GLY  53  -6.907 -14.449  -8.476
  403    H    ILE  54           H        ILE  54  -6.874 -12.455  -5.586
  404    HA   ILE  54           HA       ILE  54  -7.180 -14.940  -3.970
  405    HB   ILE  54           HB       ILE  54  -6.097 -12.219  -3.177
  406   HG12  ILE  54          HG13      ILE  54  -4.562 -14.785  -3.646
  407   HG13  ILE  54          HG12      ILE  54  -4.778 -13.566  -4.903
  408   HG21  ILE  54          HG21      ILE  54  -5.148 -14.262  -1.492
  409   HG22  ILE  54          HG22      ILE  54  -6.871 -14.582  -1.684
  410   HG23  ILE  54          HG23      ILE  54  -6.328 -13.017  -1.081
  411   HD11  ILE  54          HD11      ILE  54  -3.811 -11.869  -3.312
  412   HD12  ILE  54          HD12      ILE  54  -2.672 -13.122  -3.804
  413   HD13  ILE  54          HD13      ILE  54  -3.433 -13.195  -2.214
  414    H    ALA  55           H        ALA  55  -8.681 -14.988  -2.243
  415    HA   ALA  55           HA       ALA  55 -11.127 -13.582  -2.625
  416    HB1  ALA  55           HB1      ALA  55 -11.014 -14.359   0.088
  417    HB2  ALA  55           HB2      ALA  55 -10.081 -15.564  -0.800
  418    HB3  ALA  55           HB3      ALA  55 -11.757 -15.245  -1.243
  419    H    ALA  56           H        ALA  56 -12.099 -11.967  -1.189
  420    HA   ALA  56           HA       ALA  56 -10.522  -9.684  -0.788
  421    HB1  ALA  56           HB1      ALA  56 -13.176 -10.605   0.197
  422    HB2  ALA  56           HB2      ALA  56 -12.751  -9.135  -0.679
  423    HB3  ALA  56           HB3      ALA  56 -12.438  -9.252   1.052
  424    H    ASP  57           H        ASP  57 -11.257 -12.300   1.505
  425    HA   ASP  57           HA       ASP  57 -10.330 -12.753   3.620
  426    HB2  ASP  57           HB3      ASP  57  -7.994 -11.377   2.280
  427    HB3  ASP  57           HB2      ASP  57  -7.883 -12.281   3.788
  428    H    ASP  58           H        ASP  58 -11.985 -10.600   3.756
  429    HA   ASP  58           HA       ASP  58 -10.698  -8.201   4.717
  430    HB2  ASP  58           HB3      ASP  58 -13.018  -8.277   3.793
  431    HB3  ASP  58           HB2      ASP  58 -13.519  -9.149   5.239
  432    H    VAL  59           H        VAL  59  -9.615  -8.067   6.591
  433    HA   VAL  59           HA       VAL  59 -10.687  -9.527   8.967
  434    HB   VAL  59           HB       VAL  59  -8.373  -9.967   9.688
  435   HG11  VAL  59          HG11      VAL  59  -7.732 -11.511   7.735
  436   HG12  VAL  59          HG12      VAL  59  -9.169 -10.891   6.922
  437   HG13  VAL  59          HG13      VAL  59  -9.325 -11.761   8.448
  438   HG21  VAL  59          HG21      VAL  59  -7.646  -8.704   7.024
  439   HG22  VAL  59          HG22      VAL  59  -6.512  -9.522   8.098
  440   HG23  VAL  59          HG23      VAL  59  -7.300  -8.032   8.618
  441    H    GLU  60           H        GLU  60  -9.982  -8.457  11.043
  442    HA   GLU  60           HA       GLU  60 -10.055  -5.530  10.672
  443    HB2  GLU  60           HB3      GLU  60 -11.542  -6.597  12.341
  444    HB3  GLU  60           HB2      GLU  60 -10.127  -7.163  13.222
  445    HG2  GLU  60           HG3      GLU  60  -9.383  -4.846  13.530
  446    HG3  GLU  60           HG2      GLU  60 -10.793  -4.276  12.649
  447    H    LEU  61           H        LEU  61  -8.246  -4.344  10.682
  448    HA   LEU  61           HA       LEU  61  -5.818  -5.444  12.024
  449    HB2  LEU  61           HB3      LEU  61  -5.896  -3.456   9.738
  450    HB3  LEU  61           HB2      LEU  61  -4.480  -4.275  10.388
  451    HG   LEU  61           HG       LEU  61  -6.798  -5.556   8.936
  452   HD11  LEU  61          HD11      LEU  61  -4.550  -4.331   7.930
  453   HD12  LEU  61          HD12      LEU  61  -5.461  -5.596   7.105
  454   HD13  LEU  61          HD13      LEU  61  -4.032  -6.012   8.052
  455   HD21  LEU  61          HD21      LEU  61  -6.248  -7.200  10.488
  456   HD22  LEU  61          HD22      LEU  61  -4.563  -6.686  10.589
  457   HD23  LEU  61          HD23      LEU  61  -5.129  -7.585   9.182
  458    H    SER  62           H        SER  62  -4.659  -4.020  13.375
  459    HA   SER  62           HA       SER  62  -6.186  -1.875  14.562
  460    HB2  SER  62           HB3      SER  62  -3.671  -1.436  15.485
  461    HB3  SER  62           HB2      SER  62  -4.746  -2.659  16.155
  462    HG   SER  62           HG       SER  62  -2.498  -3.253  15.386
  463    HA   PRO  63           HA       PRO  63  -5.139   1.551  11.986
  464    HB2  PRO  63           HB3      PRO  63  -4.614   3.483  13.925
  465    HB3  PRO  63           HB2      PRO  63  -6.222   3.055  13.315
  466    HG2  PRO  63           HG3      PRO  63  -4.864   2.232  15.819
  467    HG3  PRO  63           HG2      PRO  63  -6.580   2.546  15.509
  468    HD2  PRO  63           HD3      PRO  63  -5.585   0.026  15.738
  469    HD3  PRO  63           HD2      PRO  63  -6.961   0.413  14.681
  470    H    GLU  64           H        GLU  64  -2.937   0.665  14.564
  471    HA   GLU  64           HA       GLU  64  -0.720   2.306  13.794
  472    HB2  GLU  64           HB3      GLU  64  -0.794  -0.355  15.221
  473    HB3  GLU  64           HB2      GLU  64   0.630   0.668  15.099
  474    HG2  GLU  64           HG3      GLU  64  -0.620   2.494  16.209
  475    HG3  GLU  64           HG2      GLU  64  -1.996   1.414  16.391
  476    H    HIS  65           H        HIS  65  -2.009  -0.665  12.504
  477    HA   HIS  65           HA       HIS  65   0.376  -1.579  11.188
  478    HB2  HIS  65           HB3      HIS  65  -1.592  -3.027  11.533
  479    HB3  HIS  65           HB2      HIS  65  -2.523  -2.024  10.421
  480    HD1  HIS  65           HD1      HIS  65  -2.353  -2.593   7.981
  481    HD2  HIS  65           HD2      HIS  65   0.752  -4.288  10.194
  482    HE1  HIS  65           HE1      HIS  65  -1.049  -4.066   6.381
  483    HE2  HIS  65           HE2      HIS  65   0.846  -5.095   7.717
  484    H    PHE  66           H        PHE  66  -1.984   0.880  10.372
  485    HA   PHE  66           HA       PHE  66  -0.861   1.084   7.626
  486    HB2  PHE  66           HB3      PHE  66  -3.121   2.671   8.883
  487    HB3  PHE  66           HB2      PHE  66  -2.721   2.569   7.166
  488    HD1  PHE  66           HD1      PHE  66  -4.213   0.838  10.032
  489    HD2  PHE  66           HD2      PHE  66  -3.151   0.505   5.884
  490    HE1  PHE  66           HE1      PHE  66  -5.624  -1.190   9.837
  491    HE2  PHE  66           HE2      PHE  66  -4.564  -1.526   5.688
  492    HZ   PHE  66           HZ       PHE  66  -5.798  -2.375   7.668
  493    H    ARG  67           H        ARG  67   0.074   2.065  10.545
  494    HA   ARG  67           HA       ARG  67   0.364   4.870  10.458
  495    HB2  ARG  67           HB3      ARG  67   0.920   3.401  12.413
  496    HB3  ARG  67           HB2      ARG  67   2.373   2.883  11.565
  497    HG2  ARG  67           HG3      ARG  67   3.185   4.616  12.906
  498    HG3  ARG  67           HG2      ARG  67   2.858   5.452  11.391
  499    HD2  ARG  67           HD3      ARG  67   0.642   6.149  12.268
  500    HD3  ARG  67           HD2      ARG  67   1.011   5.348  13.792
  501    HE   ARG  67           HE       ARG  67   2.001   7.937  12.960
  502   HH11  ARG  67          HH11      ARG  67   3.466   8.945  14.354
  503   HH12  ARG  67          HH12      ARG  67   4.269   8.008  15.570
  504   HH21  ARG  67          HH21      ARG  67   2.721   5.036  14.678
  505   HH22  ARG  67          HH22      ARG  67   3.847   5.795  15.753
  506    H    SER  68           H        SER  68   2.356   2.337   8.961
  507    HA   SER  68           HA       SER  68   3.646   4.481   7.336
  508    HB2  SER  68           HB3      SER  68   5.829   3.446   7.595
  509    HB3  SER  68           HB2      SER  68   5.172   3.782   9.195
  510    HG   SER  68           HG       SER  68   4.859   1.684   9.520
  511    H    ILE  69           H        ILE  69   4.375   3.764   5.251
  512    HA   ILE  69           HA       ILE  69   2.701   1.827   3.990
  513    HB   ILE  69           HB       ILE  69   5.316   3.043   3.057
  514   HG12  ILE  69          HG13      ILE  69   2.473   3.861   2.448
  515   HG13  ILE  69          HG12      ILE  69   3.475   4.646   3.660
  516   HG21  ILE  69          HG21      ILE  69   3.529   1.079   1.918
  517   HG22  ILE  69          HG22      ILE  69   5.079   1.658   1.309
  518   HG23  ILE  69          HG23      ILE  69   3.596   2.527   0.917
  519   HD11  ILE  69          HD11      ILE  69   4.573   5.835   2.091
  520   HD12  ILE  69          HD12      ILE  69   3.388   5.249   0.923
  521   HD13  ILE  69          HD13      ILE  69   4.906   4.379   1.151
  522    H    ARG  70           H        ARG  70   6.011   1.663   5.251
  523    HA   ARG  70           HA       ARG  70   6.745  -0.835   4.111
  524    HB2  ARG  70           HB3      ARG  70   7.565   0.407   6.752
  525    HB3  ARG  70           HB2      ARG  70   8.366  -0.974   6.003
  526    HG2  ARG  70           HG3      ARG  70   8.794   0.432   3.978
  527    HG3  ARG  70           HG2      ARG  70   8.111   1.813   4.836
  528    HD2  ARG  70           HD3      ARG  70  10.537   0.203   5.681
  529    HD3  ARG  70           HD2      ARG  70  10.546   1.849   5.049
  530    HE   ARG  70           HE       ARG  70   8.876   1.988   7.261
  531   HH11  ARG  70          HH11      ARG  70   9.645   2.475   9.330
  532   HH12  ARG  70          HH12      ARG  70  11.302   2.153   9.721
  533   HH21  ARG  70          HH21      ARG  70  12.073   0.886   6.588
  534   HH22  ARG  70          HH22      ARG  70  12.676   1.254   8.169
  535    H    SER  71           H        SER  71   4.924  -0.093   7.072
  536    HA   SER  71           HA       SER  71   4.908  -2.729   8.148
  537    HB2  SER  71           HB3      SER  71   2.990  -1.984   9.445
  538    HB3  SER  71           HB2      SER  71   4.157  -0.671   9.353
  539    HG   SER  71           HG       SER  71   1.838  -1.028   7.748
  540    H    ILE  72           H        ILE  72   2.867  -1.173   5.705
  541    HA   ILE  72           HA       ILE  72   0.906  -3.243   5.524
  542    HB   ILE  72           HB       ILE  72   1.884  -1.312   3.399
  543   HG12  ILE  72          HG13      ILE  72  -0.452  -1.099   5.326
  544   HG13  ILE  72          HG12      ILE  72   1.082  -0.250   5.521
  545   HG21  ILE  72          HG21      ILE  72  -0.686  -2.892   3.665
  546   HG22  ILE  72          HG22      ILE  72   0.592  -3.191   2.488
  547   HG23  ILE  72          HG23      ILE  72  -0.346  -1.700   2.411
  548   HD11  ILE  72          HD11      ILE  72   0.216   1.398   4.249
  549   HD12  ILE  72          HD12      ILE  72  -1.175   0.406   3.806
  550   HD13  ILE  72          HD13      ILE  72   0.324   0.286   2.884
  551    H    ASP  73           H        ASP  73   4.001  -2.706   3.859
  552    HA   ASP  73           HA       ASP  73   3.807  -4.839   1.994
  553    HB2  ASP  73           HB3      ASP  73   5.591  -3.032   2.066
  554    HB3  ASP  73           HB2      ASP  73   6.354  -3.946   3.368
  555    H    ALA  74           H        ALA  74   4.820  -4.811   5.390
  556    HA   ALA  74           HA       ALA  74   5.836  -7.471   5.485
  557    HB1  ALA  74           HB1      ALA  74   6.002  -7.115   7.735
  558    HB2  ALA  74           HB2      ALA  74   4.341  -6.537   7.863
  559    HB3  ALA  74           HB3      ALA  74   5.613  -5.451   7.301
  560    H    PHE  75           H        PHE  75   2.542  -6.201   5.882
  561    HA   PHE  75           HA       PHE  75   1.332  -8.704   6.580
  562    HB2  PHE  75           HB3      PHE  75   0.230  -6.471   6.828
  563    HB3  PHE  75           HB2      PHE  75   0.069  -6.406   5.075
  564    HD1  PHE  75           HD1      PHE  75  -0.974  -8.210   8.135
  565    HD2  PHE  75           HD2      PHE  75  -1.567  -7.735   3.907
  566    HE1  PHE  75           HE1      PHE  75  -3.047  -9.566   8.272
  567    HE2  PHE  75           HE2      PHE  75  -3.639  -9.092   4.045
  568    HZ   PHE  75           HZ       PHE  75  -4.378 -10.006   6.228
  569    H    VAL  76           H        VAL  76   1.672  -7.053   3.429
  570    HA   VAL  76           HA       VAL  76   0.455  -9.135   1.895
  571    HB   VAL  76           HB       VAL  76   2.459  -6.982   1.171
  572   HG11  VAL  76          HG11      VAL  76   2.709  -8.723  -0.457
  573   HG12  VAL  76          HG12      VAL  76   1.679  -7.490  -1.185
  574   HG13  VAL  76          HG13      VAL  76   0.966  -8.972  -0.546
  575   HG21  VAL  76          HG21      VAL  76  -0.543  -7.278   0.842
  576   HG22  VAL  76          HG22      VAL  76   0.407  -5.995   0.093
  577   HG23  VAL  76          HG23      VAL  76   0.301  -6.103   1.850
  578    H    VAL  77           H        VAL  77   3.863  -8.463   2.733
  579    HA   VAL  77           HA       VAL  77   5.027 -10.555   1.211
  580    HB   VAL  77           HB       VAL  77   5.859  -9.242   3.809
  581   HG11  VAL  77          HG11      VAL  77   8.125 -10.227   3.206
  582   HG12  VAL  77          HG12      VAL  77   7.269 -11.275   2.076
  583   HG13  VAL  77          HG13      VAL  77   6.929 -11.376   3.802
  584   HG21  VAL  77          HG21      VAL  77   5.927  -8.462   1.062
  585   HG22  VAL  77          HG22      VAL  77   7.588  -8.780   1.569
  586   HG23  VAL  77          HG23      VAL  77   6.606  -7.609   2.449
  587    H    GLY  78           H        GLY  78   3.701 -10.523   4.503
  588    HA2  GLY  78           HA3      GLY  78   4.462 -13.148   5.257
  589    HA3  GLY  78           HA2      GLY  78   3.068 -12.286   5.905
  590    H    ALA  79           H        ALA  79   1.773 -12.033   3.242
  591    HA   ALA  79           HA       ALA  79   0.787 -14.837   3.091
  592    HB1  ALA  79           HB1      ALA  79  -0.463 -12.191   2.891
  593    HB2  ALA  79           HB2      ALA  79  -1.175 -13.740   3.342
  594    HB3  ALA  79           HB3      ALA  79  -0.989 -13.318   1.640
  595    H    THR  80           H        THR  80   1.520 -12.098   0.910
  596    HA   THR  80           HA       THR  80   2.261 -14.123  -1.162
  597    HB   THR  80           HB       THR  80   1.169 -12.863  -2.874
  598    HG1  THR  80           HG1      THR  80   1.531 -10.871  -1.132
  599   HG21  THR  80          HG21      THR  80  -0.962 -13.437  -2.327
  600   HG22  THR  80          HG22      THR  80  -0.944 -12.482  -0.845
  601   HG23  THR  80          HG23      THR  80  -0.216 -14.089  -0.870
  602    H    THR  81           H        THR  81   3.809 -13.284  -2.766
  603    HA   THR  81           HA       THR  81   5.272 -10.849  -1.886
  604    HB   THR  81           HB       THR  81   6.612 -12.504  -0.892
  605    HG1  THR  81           HG1      THR  81   7.622 -12.294  -3.532
  606   HG21  THR  81          HG21      THR  81   7.234 -14.604  -2.178
  607   HG22  THR  81          HG22      THR  81   6.011 -14.143  -3.362
  608   HG23  THR  81          HG23      THR  81   5.541 -14.490  -1.699
  609    HA   PRO  82           HA       PRO  82   4.490 -10.824  -6.439
  610    HB2  PRO  82           HB3      PRO  82   4.571  -7.913  -6.113
  611    HB3  PRO  82           HB2      PRO  82   3.266  -8.931  -6.740
  612    HG2  PRO  82           HG3      PRO  82   3.166  -7.647  -4.351
  613    HG3  PRO  82           HG2      PRO  82   2.281  -9.137  -4.710
  614    HD2  PRO  82           HD3      PRO  82   4.755  -8.764  -3.081
  615    HD3  PRO  82           HD2      PRO  82   3.446  -9.952  -2.897
  616    HA   PRO  83           HA       PRO  83   8.462  -9.735  -8.073
  617    HB2  PRO  83           HB3      PRO  83   7.500  -7.447  -9.675
  618    HB3  PRO  83           HB2      PRO  83   8.220  -8.973 -10.214
  619    HG2  PRO  83           HG3      PRO  83   5.611  -8.396 -10.536
  620    HG3  PRO  83           HG2      PRO  83   6.214 -10.045 -10.299
  621    HD2  PRO  83           HD3      PRO  83   4.803  -8.260  -8.363
  622    HD3  PRO  83           HD2      PRO  83   4.755 -10.029  -8.516
  623    H    VAL  84           H        VAL  84  10.250  -8.309  -7.729
  624    HA   VAL  84           HA       VAL  84   9.601  -5.921  -6.047
  625    HB   VAL  84           HB       VAL  84  12.189  -7.495  -6.206
  626   HG11  VAL  84          HG11      VAL  84  11.848  -6.001  -3.795
  627   HG12  VAL  84          HG12      VAL  84  11.533  -4.917  -5.151
  628   HG13  VAL  84          HG13      VAL  84  13.069  -5.778  -5.048
  629   HG21  VAL  84          HG21      VAL  84  11.184  -7.862  -3.688
  630   HG22  VAL  84          HG22      VAL  84  10.969  -9.007  -5.011
  631   HG23  VAL  84          HG23      VAL  84   9.702  -7.837  -4.643
  632    H    GLU  85           H        GLU  85  10.128  -3.944  -6.853
  633    HA   GLU  85           HA       GLU  85  12.190  -3.781  -8.988
  634    HB2  GLU  85           HB3      GLU  85   9.451  -2.483  -9.100
  635    HB3  GLU  85           HB2      GLU  85  10.746  -2.234 -10.270
  636    HG2  GLU  85           HG3      GLU  85  10.735  -4.673 -10.763
  637    HG3  GLU  85           HG2      GLU  85   9.376  -4.868  -9.655
  638    H    ALA  86           H        ALA  86  13.149  -1.631  -9.155
  639    HA   ALA  86           HA       ALA  86  12.911  -0.120  -6.596
  640    HB1  ALA  86           HB1      ALA  86  15.153   0.105  -6.699
  641    HB2  ALA  86           HB2      ALA  86  15.062   0.752  -8.336
  642    HB3  ALA  86           HB3      ALA  86  15.136  -0.991  -8.080
  643    H    LYS  87           H        LYS  87  12.334   2.054  -6.617
  644    HA   LYS  87           HA       LYS  87  10.786   3.055  -8.780
  645    HB2  LYS  87           HB3      LYS  87  12.175   4.552  -6.536
  646    HB3  LYS  87           HB2      LYS  87  10.960   5.253  -7.605
  647    HG2  LYS  87           HG3      LYS  87   9.360   3.472  -6.881
  648    HG3  LYS  87           HG2      LYS  87  10.568   2.908  -5.725
  649    HD2  LYS  87           HD3      LYS  87  10.585   5.174  -4.686
  650    HD3  LYS  87           HD2      LYS  87   9.295   5.659  -5.789
  651    HE2  LYS  87           HE3      LYS  87   9.189   3.836  -3.433
  652    HE3  LYS  87           HE2      LYS  87   7.986   4.984  -4.023
  653    HZ1  LYS  87           HZ1      LYS  87   8.552   2.248  -4.960
  654    HZ2  LYS  87           HZ2      LYS  87   7.824   3.374  -6.004
  655    HZ3  LYS  87           HZ3      LYS  87   7.064   2.949  -4.545
  656    H    LEU  88           H        LEU  88  14.215   3.421  -8.004
  657    HA   LEU  88           HA       LEU  88  14.555   5.174 -10.384
  658    HB2  LEU  88           HB3      LEU  88  15.619   5.839  -8.215
  659    HB3  LEU  88           HB2      LEU  88  16.593   4.371  -8.285
  660    HG   LEU  88           HG       LEU  88  17.439   5.133 -10.538
  661   HD11  LEU  88          HD11      LEU  88  15.938   6.703 -11.367
  662   HD12  LEU  88          HD12      LEU  88  17.182   7.761 -10.704
  663   HD13  LEU  88          HD13      LEU  88  15.702   7.465  -9.795
  664   HD21  LEU  88          HD21      LEU  88  19.014   6.759  -9.591
  665   HD22  LEU  88          HD22      LEU  88  18.721   5.463  -8.432
  666   HD23  LEU  88          HD23      LEU  88  17.937   7.029  -8.221
  667    H    GLN  89           H        GLN  89  15.401   4.353 -12.247
  668    HA   GLN  89           HA       GLN  89  16.174   1.500 -12.278
  669    HB2  GLN  89           HB3      GLN  89  15.796   3.518 -14.513
  670    HB3  GLN  89           HB2      GLN  89  16.188   1.814 -14.756
  671    HG2  GLN  89           HG3      GLN  89  14.116   1.154 -13.616
  672    HG3  GLN  89           HG2      GLN  89  13.727   2.848 -13.315
  673   HE21  GLN  89          HE21      GLN  89  11.966   1.193 -14.846
  674   HE22  GLN  89          HE22      GLN  89  11.976   1.740 -16.452
  675    H3   7V9 101          1H1       NIA 101 -10.951   3.744  10.337
  676    H4   7V9 101          2H1       NIA 101  -9.670   3.787   9.126
  677    H5   7V9 101          1HE1      NIA 101  -9.678   1.018  12.123
  678    H6   7V9 101          2HE1      NIA 101 -11.269   1.679  11.748
  679    H7   7V9 101          3HE1      NIA 101  -9.938   2.762  12.154
  680    H8   7V9 101          2HE2      NIA 101  -7.849   1.220  10.659
  681    H9   7V9 101          3HE2      NIA 101  -7.953   2.961  10.395
  682    H10  7V9 101          1HE2      NIA 101  -8.016   1.855   9.022
  683    H11  7V9 101          3H        NIA 101  -9.989   0.705   8.425
  684    H12  7V9 101          3HO       NIA 101 -12.044   1.406  10.030
  685    H13  7V9 101          5H        NIA 101  -7.868  -1.045  10.074
  686    H14  7V9 101          1H6       NIA 101  -9.701  -1.474   7.779
  687    H15  7V9 101          2H6       NIA 101  -7.943  -1.591   7.724
  688    H16  7V9 101          1H7       NIA 101  -9.831  -3.568   9.040
  689    H17  7V9 101          2H7       NIA 101  -8.072  -3.666   9.094
  690    H18  7V9 101          9H        NIA 101  -7.085  -3.401   6.742
  691    H19  7V9 101          1H10      NIA 101  -8.525  -5.278   4.942
  692    H20  7V9 101          2H10      NIA 101  -8.183  -3.654   4.347
  693    H21  7V9 101          1H11      NIA 101  -6.328  -5.934   4.813
  694    H22  7V9 101          2H11      NIA 101  -5.719  -4.330   5.217
  695    H25  7V9 101          5H1       NIA 101  -3.211  -4.057   2.951
  696    H26  7V9 101          7H1       NIA 101  -1.999  -3.656  -1.044
  697    H27  7V9 101          8H1       NIA 101  -3.813  -5.185  -1.775
  698    H28  7V9 101          9H1       NIA 101  -4.904  -6.616  -0.020
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1  13.456  -4.577   4.723
    2    H2   MET   1           H2       MET   1  12.169  -3.864   3.875
    3    H3   MET   1           H3       MET   1  13.654  -4.138   3.096
    4    HA   MET   1           HA       MET   1  12.933  -6.608   4.030
    5    HB2  MET   1           HB3      MET   1  10.566  -5.255   2.704
    6    HB3  MET   1           HB2      MET   1  10.651  -6.921   3.273
    7    HG2  MET   1           HG3      MET   1  10.785  -4.426   4.990
    8    HG3  MET   1           HG2      MET   1   9.451  -5.577   4.917
    9    HE1  MET   1           HE1      MET   1  11.304  -8.538   4.883
   10    HE2  MET   1           HE2      MET   1   9.676  -7.913   5.131
   11    HE3  MET   1           HE3      MET   1  10.520  -8.704   6.460
   12    H    GLN   2           H        GLN   2  11.182  -6.868   1.453
   13    HA   GLN   2           HA       GLN   2  13.514  -6.825  -0.418
   14    HB2  GLN   2           HB3      GLN   2  10.961  -8.465  -0.514
   15    HB3  GLN   2           HB2      GLN   2  12.281  -8.557  -1.680
   16    HG2  GLN   2           HG3      GLN   2  13.826  -9.256   0.102
   17    HG3  GLN   2           HG2      GLN   2  12.522  -9.141   1.285
   18   HE21  GLN   2          HE21      GLN   2  13.847 -11.626   0.852
   19   HE22  GLN   2          HE22      GLN   2  12.762 -12.701   0.111
   20    H    HIS   3           H        HIS   3  13.325  -5.670  -2.333
   21    HA   HIS   3           HA       HIS   3  12.467  -3.965  -3.715
   22    HB2  HIS   3           HB3      HIS   3   9.965  -5.653  -3.393
   23    HB3  HIS   3           HB2      HIS   3  10.279  -4.502  -4.693
   24    HD1  HIS   3           HD1      HIS   3  11.206  -7.917  -3.468
   25    HD2  HIS   3           HD2      HIS   3  12.225  -5.371  -6.612
   26    HE1  HIS   3           HE1      HIS   3  12.519  -9.314  -5.126
   27    HE2  HIS   3           HE2      HIS   3  13.145  -7.774  -7.042
   28    H    ALA   4           H        ALA   4  12.420  -3.347  -0.915
   29    HA   ALA   4           HA       ALA   4   9.915  -2.365   0.009
   30    HB1  ALA   4           HB1      ALA   4  11.113  -1.436   1.739
   31    HB2  ALA   4           HB2      ALA   4  12.377  -0.822   0.673
   32    HB3  ALA   4           HB3      ALA   4  12.353  -2.527   1.123
   33    H    SER   5           H        SER   5  12.332  -0.939  -2.139
   34    HA   SER   5           HA       SER   5  11.352   1.726  -2.166
   35    HB2  SER   5           HB3      SER   5  12.542   0.195  -4.496
   36    HB3  SER   5           HB2      SER   5  12.478   1.947  -4.319
   37    HG   SER   5           HG       SER   5  13.800   1.732  -2.478
   38    H    VAL   6           H        VAL   6  10.289  -1.153  -3.930
   39    HA   VAL   6           HA       VAL   6   8.487   0.164  -5.714
   40    HB   VAL   6           HB       VAL   6   8.452  -2.617  -4.538
   41   HG11  VAL   6          HG11      VAL   6   6.882  -3.100  -6.462
   42   HG12  VAL   6          HG12      VAL   6   6.724  -1.358  -6.683
   43   HG13  VAL   6          HG13      VAL   6   6.183  -2.111  -5.182
   44   HG21  VAL   6          HG21      VAL   6   9.476  -3.286  -6.573
   45   HG22  VAL   6          HG22      VAL   6  10.324  -1.809  -6.117
   46   HG23  VAL   6          HG23      VAL   6   9.079  -1.760  -7.365
   47    H    ILE   7           H        ILE   7   8.062  -1.118  -2.440
   48    HA   ILE   7           HA       ILE   7   5.260  -0.711  -2.230
   49    HB   ILE   7           HB       ILE   7   7.374  -0.498  -0.067
   50   HG12  ILE   7          HG13      ILE   7   5.672  -2.866  -0.904
   51   HG13  ILE   7          HG12      ILE   7   7.343  -2.630  -1.417
   52   HG21  ILE   7          HG21      ILE   7   5.472  -1.145   1.423
   53   HG22  ILE   7          HG22      ILE   7   4.380  -0.978   0.048
   54   HG23  ILE   7          HG23      ILE   7   5.240   0.431   0.667
   55   HD11  ILE   7          HD11      ILE   7   7.281  -2.258   1.398
   56   HD12  ILE   7          HD12      ILE   7   8.038  -3.575   0.499
   57   HD13  ILE   7          HD13      ILE   7   6.371  -3.729   1.051
   58    H    ALA   8           H        ALA   8   7.967   1.488  -1.494
   59    HA   ALA   8           HA       ALA   8   6.349   3.651  -0.544
   60    HB1  ALA   8           HB1      ALA   8   8.463   4.969  -1.558
   61    HB2  ALA   8           HB2      ALA   8   9.138   3.338  -1.539
   62    HB3  ALA   8           HB3      ALA   8   8.554   4.069  -0.043
   63    H    GLN   9           H        GLN   9   7.697   2.980  -3.774
   64    HA   GLN   9           HA       GLN   9   6.409   5.247  -4.996
   65    HB2  GLN   9           HB3      GLN   9   7.506   4.615  -6.891
   66    HB3  GLN   9           HB2      GLN   9   8.394   3.577  -5.783
   67    HG2  GLN   9           HG3      GLN   9   7.732   2.127  -7.522
   68    HG3  GLN   9           HG2      GLN   9   6.555   1.829  -6.250
   69   HE21  GLN   9          HE21      GLN   9   4.662   1.381  -7.456
   70   HE22  GLN   9          HE22      GLN   9   4.002   2.440  -8.608
   71    H    PHE  10           H        PHE  10   5.461   1.905  -4.463
   72    HA   PHE  10           HA       PHE  10   3.215   1.858  -6.219
   73    HB2  PHE  10           HB3      PHE  10   4.235  -0.128  -5.072
   74    HB3  PHE  10           HB2      PHE  10   3.509   0.426  -3.566
   75    HD1  PHE  10           HD1      PHE  10   1.149   0.191  -3.146
   76    HD2  PHE  10           HD2      PHE  10   2.808  -0.846  -6.970
   77    HE1  PHE  10           HE1      PHE  10  -0.972  -0.937  -3.762
   78    HE2  PHE  10           HE2      PHE  10   0.686  -1.972  -7.586
   79    HZ   PHE  10           HZ       PHE  10  -1.200  -2.021  -5.979
   80    H    VAL  11           H        VAL  11   3.348   2.553  -2.715
   81    HA   VAL  11           HA       VAL  11   0.561   3.348  -2.630
   82    HB   VAL  11           HB       VAL  11   1.956   2.432  -0.694
   83   HG11  VAL  11          HG11      VAL  11   3.325   3.965   0.546
   84   HG12  VAL  11          HG12      VAL  11   2.817   5.325  -0.454
   85   HG13  VAL  11          HG13      VAL  11   3.850   4.067  -1.135
   86   HG21  VAL  11          HG21      VAL  11  -0.146   4.394  -0.757
   87   HG22  VAL  11          HG22      VAL  11   0.901   4.725   0.621
   88   HG23  VAL  11          HG23      VAL  11   0.148   3.141   0.448
   89    H    VAL  12           H        VAL  12   3.639   5.157  -2.618
   90    HA   VAL  12           HA       VAL  12   2.460   7.746  -2.356
   91    HB   VAL  12           HB       VAL  12   5.087   6.869  -3.543
   92   HG11  VAL  12          HG11      VAL  12   4.776   8.993  -4.497
   93   HG12  VAL  12          HG12      VAL  12   5.635   9.363  -3.001
   94   HG13  VAL  12          HG13      VAL  12   3.888   9.593  -3.096
   95   HG21  VAL  12          HG21      VAL  12   4.728   6.422  -1.123
   96   HG22  VAL  12          HG22      VAL  12   4.376   8.132  -0.880
   97   HG23  VAL  12          HG23      VAL  12   5.986   7.629  -1.392
   98    H    GLU  13           H        GLU  13   3.307   5.853  -5.237
   99    HA   GLU  13           HA       GLU  13   2.845   7.876  -7.165
  100    HB2  GLU  13           HB3      GLU  13   3.849   5.663  -7.682
  101    HB3  GLU  13           HB2      GLU  13   2.266   4.925  -7.460
  102    HG2  GLU  13           HG3      GLU  13   1.366   6.407  -9.252
  103    HG3  GLU  13           HG2      GLU  13   2.999   7.016  -9.512
  104    H    GLU  14           H        GLU  14   0.602   5.924  -5.324
  105    HA   GLU  14           HA       GLU  14  -1.708   6.360  -6.956
  106    HB2  GLU  14           HB3      GLU  14  -1.536   4.654  -5.134
  107    HB3  GLU  14           HB2      GLU  14  -1.610   5.963  -3.955
  108    HG2  GLU  14           HG3      GLU  14  -3.796   6.666  -4.921
  109    HG3  GLU  14           HG2      GLU  14  -3.734   5.276  -6.005
  110    H    PHE  15           H        PHE  15  -0.309   8.240  -4.277
  111    HA   PHE  15           HA       PHE  15  -2.498  10.224  -4.572
  112    HB2  PHE  15           HB3      PHE  15  -0.220  10.516  -2.637
  113    HB3  PHE  15           HB2      PHE  15  -1.891  11.055  -2.479
  114    HD1  PHE  15           HD1      PHE  15   0.394   8.696  -1.343
  115    HD2  PHE  15           HD2      PHE  15  -3.658   9.002  -2.730
  116    HE1  PHE  15           HE1      PHE  15  -0.166   6.590  -0.165
  117    HE2  PHE  15           HE2      PHE  15  -4.221   6.896  -1.553
  118    HZ   PHE  15           HZ       PHE  15  -2.475   5.688  -0.269
  119    H    LEU  16           H        LEU  16   1.073  10.085  -4.741
  120    HA   LEU  16           HA       LEU  16   0.958  12.605  -6.359
  121    HB2  LEU  16           HB3      LEU  16   2.778  11.802  -4.110
  122    HB3  LEU  16           HB2      LEU  16   3.362  12.900  -5.358
  123    HG   LEU  16           HG       LEU  16   0.683  13.557  -4.306
  124   HD11  LEU  16          HD11      LEU  16   1.649  14.580  -2.235
  125   HD12  LEU  16          HD12      LEU  16   3.160  13.734  -2.566
  126   HD13  LEU  16          HD13      LEU  16   1.695  12.816  -2.220
  127   HD21  LEU  16          HD21      LEU  16   3.252  15.126  -4.703
  128   HD22  LEU  16          HD22      LEU  16   1.673  15.824  -4.341
  129   HD23  LEU  16          HD23      LEU  16   1.939  14.993  -5.874
  130    HA   PRO  17           HA       PRO  17   3.164   9.410  -8.829
  131    HB2  PRO  17           HB3      PRO  17   1.576   9.946 -11.103
  132    HB3  PRO  17           HB2      PRO  17   1.407   8.576  -9.994
  133    HG2  PRO  17           HG3      PRO  17  -0.385  10.723 -10.353
  134    HG3  PRO  17           HG2      PRO  17  -0.470   9.435  -9.147
  135    HD2  PRO  17           HD3      PRO  17   0.415  12.236  -8.822
  136    HD3  PRO  17           HD2      PRO  17  -0.178  11.087  -7.602
  137    H    ASP  18           H        ASP  18   2.293  12.746  -9.480
  138    HA   ASP  18           HA       ASP  18   4.149  13.029 -11.719
  139    HB2  ASP  18           HB3      ASP  18   2.599  15.037 -10.076
  140    HB3  ASP  18           HB2      ASP  18   3.597  15.465 -11.460
  141    H    VAL  19           H        VAL  19   4.556  12.735  -8.436
  142    HA   VAL  19           HA       VAL  19   7.024  14.428  -8.450
  143    HB   VAL  19           HB       VAL  19   5.477  13.393  -6.057
  144   HG11  VAL  19          HG11      VAL  19   8.100  14.417  -6.339
  145   HG12  VAL  19          HG12      VAL  19   7.221  14.124  -4.838
  146   HG13  VAL  19          HG13      VAL  19   7.139  15.706  -5.614
  147   HG21  VAL  19          HG21      VAL  19   5.103  16.031  -5.934
  148   HG22  VAL  19          HG22      VAL  19   4.012  14.999  -6.859
  149   HG23  VAL  19          HG23      VAL  19   5.286  15.898  -7.683
  150    H    ALA  20           H        ALA  20   8.984  13.402  -7.947
  151    HA   ALA  20           HA       ALA  20   9.178  10.608  -8.413
  152    HB1  ALA  20           HB1      ALA  20  11.015  12.735  -7.433
  153    HB2  ALA  20           HB2      ALA  20  11.219  11.606  -8.771
  154    HB3  ALA  20           HB3      ALA  20  11.485  11.065  -7.114
  155    HA   PRO  21           HA       PRO  21   7.669   9.486  -4.286
  156    HB2  PRO  21           HB3      PRO  21   8.053   6.754  -4.561
  157    HB3  PRO  21           HB2      PRO  21   6.599   7.638  -5.058
  158    HG2  PRO  21           HG3      PRO  21   8.812   6.583  -6.689
  159    HG3  PRO  21           HG2      PRO  21   7.112   6.844  -7.107
  160    HD2  PRO  21           HD3      PRO  21   9.194   8.465  -7.923
  161    HD3  PRO  21           HD2      PRO  21   7.493   8.979  -7.843
  162    H    ALA  22           H        ALA  22  10.725   8.401  -5.649
  163    HA   ALA  22           HA       ALA  22  11.855   7.457  -3.163
  164    HB1  ALA  22           HB1      ALA  22  12.625   7.365  -5.806
  165    HB2  ALA  22           HB2      ALA  22  13.658   6.933  -4.445
  166    HB3  ALA  22           HB3      ALA  22  13.744   8.553  -5.138
  167    H    ASP  23           H        ASP  23  11.276  10.567  -4.501
  168    HA   ASP  23           HA       ASP  23  13.299  11.902  -2.818
  169    HB2  ASP  23           HB3      ASP  23  11.190  12.980  -4.714
  170    HB3  ASP  23           HB2      ASP  23  12.335  13.989  -3.829
  171    H    VAL  24           H        VAL  24  10.387  10.538  -2.258
  172    HA   VAL  24           HA       VAL  24   9.457  12.668  -0.395
  173    HB   VAL  24           HB       VAL  24   8.075  10.097  -1.232
  174   HG11  VAL  24          HG11      VAL  24   7.501  12.233   0.712
  175   HG12  VAL  24          HG12      VAL  24   6.837  10.603   0.604
  176   HG13  VAL  24          HG13      VAL  24   6.168  11.895  -0.393
  177   HG21  VAL  24          HG21      VAL  24   6.636  11.674  -2.573
  178   HG22  VAL  24          HG22      VAL  24   8.295  11.556  -3.160
  179   HG23  VAL  24          HG23      VAL  24   7.794  12.955  -2.212
  180    H    ASP  25           H        ASP  25   9.500  12.300   1.825
  181    HA   ASP  25           HA       ASP  25  11.290  10.270   2.799
  182    HB2  ASP  25           HB3      ASP  25  10.837  12.482   3.922
  183    HB3  ASP  25           HB2      ASP  25   9.264  11.848   4.408
  184    H    VAL  26           H        VAL  26  10.506   8.222   2.205
  185    HA   VAL  26           HA       VAL  26   7.822   7.316   2.522
  186    HB   VAL  26           HB       VAL  26   8.724   5.078   2.307
  187   HG11  VAL  26          HG11      VAL  26  10.281   7.162   0.756
  188   HG12  VAL  26          HG12      VAL  26   8.815   6.324   0.250
  189   HG13  VAL  26          HG13      VAL  26  10.335   5.440   0.381
  190   HG21  VAL  26          HG21      VAL  26  11.238   4.772   2.421
  191   HG22  VAL  26          HG22      VAL  26  10.471   5.126   3.969
  192   HG23  VAL  26          HG23      VAL  26  11.336   6.396   3.102
  193    H    ASP  27           H        ASP  27   9.819   8.425   4.887
  194    HA   ASP  27           HA       ASP  27   9.085   6.441   6.947
  195    HB2  ASP  27           HB3      ASP  27  10.606   9.063   7.107
  196    HB3  ASP  27           HB2      ASP  27  10.342   7.978   8.471
  197    H    LEU  28           H        LEU  28   7.325   8.606   5.402
  198    HA   LEU  28           HA       LEU  28   6.150  10.033   7.691
  199    HB2  LEU  28           HB3      LEU  28   6.355  11.095   5.436
  200    HB3  LEU  28           HB2      LEU  28   5.210   9.910   4.815
  201    HG   LEU  28           HG       LEU  28   3.571  10.687   6.564
  202   HD11  LEU  28          HD11      LEU  28   4.759  11.763   8.243
  203   HD12  LEU  28          HD12      LEU  28   4.216  13.152   7.302
  204   HD13  LEU  28          HD13      LEU  28   5.860  12.545   7.109
  205   HD21  LEU  28          HD21      LEU  28   2.996  11.623   4.541
  206   HD22  LEU  28          HD22      LEU  28   4.595  12.325   4.294
  207   HD23  LEU  28          HD23      LEU  28   3.449  13.104   5.385
  208    H    ASP  29           H        ASP  29   4.327   9.403   8.759
  209    HA   ASP  29           HA       ASP  29   3.353   6.738   8.464
  210    HB2  ASP  29           HB3      ASP  29   2.131   9.155   9.829
  211    HB3  ASP  29           HB2      ASP  29   1.501   7.515   9.977
  212    H    LEU  30           H        LEU  30   2.025   5.967   6.902
  213    HA   LEU  30           HA       LEU  30   0.894   7.607   4.879
  214    HB2  LEU  30           HB3      LEU  30   0.005   4.837   5.753
  215    HB3  LEU  30           HB2      LEU  30  -0.398   5.608   4.219
  216    HG   LEU  30           HG       LEU  30   2.385   4.885   5.181
  217   HD11  LEU  30          HD11      LEU  30   1.967   2.907   4.194
  218   HD12  LEU  30          HD12      LEU  30   1.715   3.751   2.666
  219   HD13  LEU  30          HD13      LEU  30   0.351   3.448   3.740
  220   HD21  LEU  30          HD21      LEU  30   1.347   6.541   2.910
  221   HD22  LEU  30          HD22      LEU  30   2.754   5.519   2.617
  222   HD23  LEU  30          HD23      LEU  30   2.809   6.756   3.873
  223    H    VAL  31           H        VAL  31  -0.100   7.134   8.095
  224    HA   VAL  31           HA       VAL  31  -2.894   7.160   7.977
  225    HB   VAL  31           HB       VAL  31  -1.369   7.223  10.059
  226   HG11  VAL  31          HG11      VAL  31  -0.283   9.397   9.263
  227   HG12  VAL  31          HG12      VAL  31  -0.789   9.362  10.952
  228   HG13  VAL  31          HG13      VAL  31  -1.771  10.207   9.755
  229   HG21  VAL  31          HG21      VAL  31  -3.907   7.338  10.023
  230   HG22  VAL  31          HG22      VAL  31  -3.754   9.093  10.097
  231   HG23  VAL  31          HG23      VAL  31  -3.152   8.099  11.424
  232    H    ASP  32           H        ASP  32  -0.621   9.812   7.422
  233    HA   ASP  32           HA       ASP  32  -2.504  11.939   7.245
  234    HB2  ASP  32           HB3      ASP  32   0.073  11.470   5.704
  235    HB3  ASP  32           HB2      ASP  32  -0.826  12.988   5.687
  236    H    ASN  33           H        ASN  33  -1.517   9.430   4.995
  237    HA   ASN  33           HA       ASN  33  -3.256  10.449   2.857
  238    HB2  ASN  33           HB3      ASN  33  -1.682   7.874   3.046
  239    HB3  ASN  33           HB2      ASN  33  -2.477   8.489   1.599
  240   HD21  ASN  33          HD21      ASN  33   0.514   8.127   2.560
  241   HD22  ASN  33          HD22      ASN  33   1.229   9.591   2.086
  242    H    GLY  34           H        GLY  34  -4.187   9.451   5.593
  243    HA2  GLY  34           HA3      GLY  34  -5.484   7.020   5.609
  244    HA3  GLY  34           HA2      GLY  34  -6.218   8.474   6.289
  245    H    VAL  35           H        VAL  35  -5.948   9.519   3.330
  246    HA   VAL  35           HA       VAL  35  -8.652   9.274   2.589
  247    HB   VAL  35           HB       VAL  35  -6.177   9.600   0.865
  248   HG11  VAL  35          HG11      VAL  35  -8.310  10.691  -0.518
  249   HG12  VAL  35          HG12      VAL  35  -8.990   9.204   0.140
  250   HG13  VAL  35          HG13      VAL  35  -7.548   9.141  -0.874
  251   HG21  VAL  35          HG21      VAL  35  -7.297  11.320   2.687
  252   HG22  VAL  35          HG22      VAL  35  -8.116  11.798   1.200
  253   HG23  VAL  35          HG23      VAL  35  -6.354  11.827   1.286
  254    H    ILE  36           H        ILE  36  -5.891   7.191   1.803
  255    HA   ILE  36           HA       ILE  36  -7.382   5.406   0.090
  256    HB   ILE  36           HB       ILE  36  -4.803   5.733   0.315
  257   HG12  ILE  36          HG13      ILE  36  -6.285   3.133  -0.042
  258   HG13  ILE  36          HG12      ILE  36  -5.560   4.163  -1.276
  259   HG21  ILE  36          HG21      ILE  36  -5.131   3.450   2.253
  260   HG22  ILE  36          HG22      ILE  36  -5.024   5.113   2.826
  261   HG23  ILE  36          HG23      ILE  36  -3.688   4.406   1.917
  262   HD11  ILE  36          HD11      ILE  36  -3.337   3.606   0.090
  263   HD12  ILE  36          HD12      ILE  36  -3.941   2.518  -1.160
  264   HD13  ILE  36          HD13      ILE  36  -4.265   2.175   0.539
  265    H    ASP  37           H        ASP  37  -6.952   5.644   3.546
  266    HA   ASP  37           HA       ASP  37  -7.454   2.954   4.262
  267    HB2  ASP  37           HB3      ASP  37  -8.108   5.520   5.720
  268    HB3  ASP  37           HB2      ASP  37  -8.303   3.921   6.431
  269    H    SER  38           H        SER  38  -9.715   5.429   3.168
  270    HA   SER  38           HA       SER  38 -11.936   3.503   3.719
  271    HB2  SER  38          2HB       SER  38 -11.783   6.474   3.781
  272    HB3  SER  38          1HB       SER  38 -13.277   5.757   3.194
  273    H    LEU  39           H        LEU  39 -11.332   6.121   1.339
  274    HA   LEU  39           HA       LEU  39 -13.021   4.879  -0.621
  275    HB2  LEU  39           HB3      LEU  39 -10.925   7.032  -0.837
  276    HB3  LEU  39           HB2      LEU  39 -11.912   6.523  -2.200
  277    HG   LEU  39           HG       LEU  39 -13.908   6.948  -0.543
  278   HD11  LEU  39          HD11      LEU  39 -12.649   7.380   1.468
  279   HD12  LEU  39          HD12      LEU  39 -13.361   8.908   0.954
  280   HD13  LEU  39          HD13      LEU  39 -11.656   8.585   0.649
  281   HD21  LEU  39          HD21      LEU  39 -12.303   9.188  -1.806
  282   HD22  LEU  39          HD22      LEU  39 -13.996   9.301  -1.323
  283   HD23  LEU  39          HD23      LEU  39 -13.519   8.200  -2.616
  284    H    GLY  40           H        GLY  40  -9.471   5.145  -0.435
  285    HA2  GLY  40           HA3      GLY  40  -9.041   3.441  -2.723
  286    HA3  GLY  40           HA2      GLY  40  -7.816   3.900  -1.545
  287    H    LEU  41           H        LEU  41  -9.237   2.885   0.753
  288    HA   LEU  41           HA       LEU  41  -8.247   0.240   0.845
  289    HB2  LEU  41           HB3      LEU  41  -8.731   1.547   2.855
  290    HB3  LEU  41           HB2      LEU  41 -10.453   1.508   2.493
  291    HG   LEU  41           HG       LEU  41  -8.851  -1.039   2.774
  292   HD11  LEU  41          HD11      LEU  41  -8.605   0.430   4.822
  293   HD12  LEU  41          HD12      LEU  41  -9.367  -1.131   5.118
  294   HD13  LEU  41          HD13      LEU  41 -10.355   0.326   5.018
  295   HD21  LEU  41          HD21      LEU  41 -10.874  -1.856   2.161
  296   HD22  LEU  41          HD22      LEU  41 -11.676  -0.310   2.413
  297   HD23  LEU  41          HD23      LEU  41 -11.419  -1.400   3.772
  298    H    LEU  42           H        LEU  42 -11.579   1.372   0.256
  299    HA   LEU  42           HA       LEU  42 -12.717  -1.240   0.045
  300    HB2  LEU  42           HB3      LEU  42 -13.519   1.373  -1.256
  301    HB3  LEU  42           HB2      LEU  42 -14.500  -0.082  -1.299
  302    HG   LEU  42           HG       LEU  42 -13.571   1.305   1.228
  303   HD11  LEU  42          HD11      LEU  42 -15.755   1.859  -0.573
  304   HD12  LEU  42          HD12      LEU  42 -15.320   2.693   0.920
  305   HD13  LEU  42          HD13      LEU  42 -16.393   1.294   0.972
  306   HD21  LEU  42          HD21      LEU  42 -15.670  -0.295   1.892
  307   HD22  LEU  42          HD22      LEU  42 -13.984  -0.795   2.014
  308   HD23  LEU  42          HD23      LEU  42 -14.935  -1.241   0.599
  309    H    LYS  43           H        LYS  43 -11.304   0.920  -2.404
  310    HA   LYS  43           HA       LYS  43 -11.744  -0.921  -4.584
  311    HB2  LYS  43           HB3      LYS  43  -9.853   1.415  -4.285
  312    HB3  LYS  43           HB2      LYS  43 -10.145   0.560  -5.795
  313    HG2  LYS  43           HG3      LYS  43 -12.575   1.101  -5.584
  314    HG3  LYS  43           HG2      LYS  43 -12.201   2.060  -4.151
  315    HD2  LYS  43           HD3      LYS  43 -10.642   3.440  -5.534
  316    HD3  LYS  43           HD2      LYS  43 -11.158   2.536  -6.958
  317    HE2  LYS  43           HE3      LYS  43 -13.467   3.279  -6.632
  318    HE3  LYS  43           HE2      LYS  43 -13.009   4.119  -5.151
  319    HZ1  LYS  43           HZ1      LYS  43 -11.287   4.959  -7.176
  320    HZ2  LYS  43           HZ2      LYS  43 -12.471   5.869  -6.366
  321    HZ3  LYS  43           HZ3      LYS  43 -12.862   5.042  -7.797
  322    H    VAL  44           H        VAL  44  -9.066  -0.341  -2.349
  323    HA   VAL  44           HA       VAL  44  -7.104  -1.902  -3.718
  324    HB   VAL  44           HB       VAL  44  -7.428  -1.209  -0.791
  325   HG11  VAL  44          HG11      VAL  44  -5.175  -2.593  -2.267
  326   HG12  VAL  44          HG12      VAL  44  -6.065  -3.187  -0.865
  327   HG13  VAL  44          HG13      VAL  44  -4.964  -1.820  -0.696
  328   HG21  VAL  44          HG21      VAL  44  -6.215   0.676  -1.262
  329   HG22  VAL  44          HG22      VAL  44  -6.864   0.428  -2.882
  330   HG23  VAL  44          HG23      VAL  44  -5.240  -0.137  -2.488
  331    H    ILE  45           H        ILE  45  -9.281  -2.857  -1.021
  332    HA   ILE  45           HA       ILE  45  -8.337  -5.523  -0.856
  333    HB   ILE  45           HB       ILE  45 -11.144  -4.488  -0.354
  334   HG12  ILE  45          HG13      ILE  45  -9.525  -3.261   0.985
  335   HG13  ILE  45          HG12      ILE  45 -10.354  -4.410   2.031
  336   HG21  ILE  45          HG21      ILE  45 -11.455  -6.758  -0.266
  337   HG22  ILE  45          HG22      ILE  45 -10.844  -6.510   1.369
  338   HG23  ILE  45          HG23      ILE  45  -9.763  -7.083   0.101
  339   HD11  ILE  45          HD11      ILE  45  -8.344  -5.991   1.378
  340   HD12  ILE  45          HD12      ILE  45  -8.134  -4.769   2.632
  341   HD13  ILE  45          HD13      ILE  45  -7.536  -4.469   1.000
  342    H    ALA  46           H        ALA  46 -11.079  -4.219  -2.751
  343    HA   ALA  46           HA       ALA  46 -11.665  -6.742  -4.008
  344    HB1  ALA  46           HB1      ALA  46 -13.315  -5.595  -5.103
  345    HB2  ALA  46           HB2      ALA  46 -12.249  -4.251  -5.512
  346    HB3  ALA  46           HB3      ALA  46 -12.953  -4.358  -3.898
  347    H    TRP  47           H        TRP  47  -9.533  -4.048  -4.837
  348    HA   TRP  47           HA       TRP  47  -8.891  -5.071  -7.476
  349    HB2  TRP  47           HB3      TRP  47  -8.692  -2.715  -7.084
  350    HB3  TRP  47           HB2      TRP  47  -7.616  -2.981  -5.715
  351    HD1  TRP  47           HD1      TRP  47  -7.382  -4.710  -9.151
  352    HE1  TRP  47           HE1      TRP  47  -5.078  -4.154 -10.158
  353    HE3  TRP  47           HE3      TRP  47  -5.665  -1.459  -5.642
  354    HZ2  TRP  47           HZ2      TRP  47  -2.796  -2.530  -9.556
  355    HZ3  TRP  47           HZ3      TRP  47  -3.423  -0.410  -5.871
  356    HH2  TRP  47           HH2      TRP  47  -1.989  -0.944  -7.826
  357    H    LEU  48           H        LEU  48  -7.023  -4.935  -4.420
  358    HA   LEU  48           HA       LEU  48  -4.789  -6.387  -5.459
  359    HB2  LEU  48           HB3      LEU  48  -5.774  -5.716  -2.706
  360    HB3  LEU  48           HB2      LEU  48  -4.459  -6.871  -2.894
  361    HG   LEU  48           HG       LEU  48  -3.750  -4.441  -2.598
  362   HD11  LEU  48          HD11      LEU  48  -1.864  -5.227  -3.528
  363   HD12  LEU  48          HD12      LEU  48  -2.523  -4.899  -5.130
  364   HD13  LEU  48          HD13      LEU  48  -2.786  -6.470  -4.375
  365   HD21  LEU  48          HD21      LEU  48  -5.644  -3.690  -4.218
  366   HD22  LEU  48          HD22      LEU  48  -4.517  -4.134  -5.499
  367   HD23  LEU  48          HD23      LEU  48  -4.082  -2.884  -4.334
  368    H    GLU  49           H        GLU  49  -7.718  -7.471  -3.745
  369    HA   GLU  49           HA       GLU  49  -6.859 -10.188  -3.461
  370    HB2  GLU  49           HB3      GLU  49  -9.057 -10.652  -2.777
  371    HB3  GLU  49           HB2      GLU  49  -8.853  -8.966  -2.339
  372    HG2  GLU  49           HG3      GLU  49  -9.896  -8.352  -4.540
  373    HG3  GLU  49           HG2      GLU  49 -10.251 -10.059  -4.776
  374    H    ASP  50           H        ASP  50  -8.478  -8.448  -6.070
  375    HA   ASP  50           HA       ASP  50  -9.176 -10.750  -7.623
  376    HB2  ASP  50           HB3      ASP  50 -10.012  -8.376  -7.958
  377    HB3  ASP  50           HB2      ASP  50  -8.459  -8.032  -8.715
  378    H    ARG  51           H        ARG  51  -6.291  -8.667  -7.640
  379    HA   ARG  51           HA       ARG  51  -5.003 -10.009  -9.821
  380    HB2  ARG  51           HB3      ARG  51  -3.916  -8.313  -7.567
  381    HB3  ARG  51           HB2      ARG  51  -2.937  -8.891  -8.911
  382    HG2  ARG  51           HG3      ARG  51  -4.510  -7.777 -10.492
  383    HG3  ARG  51           HG2      ARG  51  -5.393  -7.128  -9.110
  384    HD2  ARG  51           HD3      ARG  51  -3.844  -5.430  -9.879
  385    HD3  ARG  51           HD2      ARG  51  -3.258  -6.051  -8.336
  386    HE   ARG  51           HE       ARG  51  -2.141  -7.381 -10.707
  387   HH11  ARG  51          HH11      ARG  51   0.096  -7.151 -10.938
  388   HH12  ARG  51          HH12      ARG  51   0.938  -5.987  -9.968
  389   HH21  ARG  51          HH21      ARG  51  -1.915  -4.902  -8.322
  390   HH22  ARG  51          HH22      ARG  51  -0.201  -4.714  -8.488
  391    H    PHE  52           H        PHE  52  -4.712 -10.437  -6.277
  392    HA   PHE  52           HA       PHE  52  -2.912 -12.738  -6.777
  393    HB2  PHE  52           HB3      PHE  52  -3.706 -11.298  -4.232
  394    HB3  PHE  52           HB2      PHE  52  -2.607 -12.672  -4.298
  395    HD1  PHE  52           HD1      PHE  52  -0.453 -12.501  -5.562
  396    HD2  PHE  52           HD2      PHE  52  -2.999  -9.106  -4.900
  397    HE1  PHE  52           HE1      PHE  52   1.417 -10.984  -6.151
  398    HE2  PHE  52           HE2      PHE  52  -1.128  -7.588  -5.487
  399    HZ   PHE  52           HZ       PHE  52   1.079  -8.527  -6.114
  400    H    GLY  53           H        GLY  53  -6.213 -12.116  -6.178
  401    HA2  GLY  53           HA3      GLY  53  -8.000 -13.600  -5.822
  402    HA3  GLY  53           HA2      GLY  53  -6.877 -14.906  -6.201
  403    H    ILE  54           H        ILE  54  -6.679 -12.529  -3.548
  404    HA   ILE  54           HA       ILE  54  -6.559 -14.841  -1.662
  405    HB   ILE  54           HB       ILE  54  -5.732 -11.954  -1.229
  406   HG12  ILE  54          HG13      ILE  54  -3.953 -14.360  -1.696
  407   HG13  ILE  54          HG12      ILE  54  -4.430 -13.259  -2.990
  408   HG21  ILE  54          HG21      ILE  54  -6.236 -14.021   0.595
  409   HG22  ILE  54          HG22      ILE  54  -5.335 -12.539   0.913
  410   HG23  ILE  54          HG23      ILE  54  -4.481 -14.000   0.416
  411   HD11  ILE  54          HD11      ILE  54  -3.393 -11.388  -1.872
  412   HD12  ILE  54          HD12      ILE  54  -2.212 -12.696  -1.934
  413   HD13  ILE  54          HD13      ILE  54  -3.077 -12.359  -0.434
  414    H    ALA  55           H        ALA  55  -8.232 -15.135  -0.255
  415    HA   ALA  55           HA       ALA  55 -10.610 -13.545  -0.397
  416    HB1  ALA  55           HB1      ALA  55 -10.608 -15.907   0.341
  417    HB2  ALA  55           HB2      ALA  55 -11.361 -14.863   1.546
  418    HB3  ALA  55           HB3      ALA  55  -9.717 -15.448   1.791
  419    H    ALA  56           H        ALA  56 -11.387 -11.929   0.999
  420    HA   ALA  56           HA       ALA  56  -9.463 -10.215   2.226
  421    HB1  ALA  56           HB1      ALA  56 -11.229  -8.809   2.558
  422    HB2  ALA  56           HB2      ALA  56 -12.227 -10.075   3.273
  423    HB3  ALA  56           HB3      ALA  56 -12.084  -9.949   1.520
  424    H    ASP  57           H        ASP  57 -11.456 -12.830   3.492
  425    HA   ASP  57           HA       ASP  57 -11.118 -12.366   6.268
  426    HB2  ASP  57           HB3      ASP  57 -11.361 -14.957   4.734
  427    HB3  ASP  57           HB2      ASP  57 -11.446 -14.847   6.490
  428    H    ASP  58           H        ASP  58  -8.976 -13.841   3.891
  429    HA   ASP  58           HA       ASP  58  -7.095 -15.073   5.567
  430    HB2  ASP  58           HB3      ASP  58  -6.684 -13.549   2.992
  431    HB3  ASP  58           HB2      ASP  58  -5.425 -14.514   3.761
  432    H    VAL  59           H        VAL  59  -7.545 -11.648   4.867
  433    HA   VAL  59           HA       VAL  59  -5.375 -11.050   6.846
  434    HB   VAL  59           HB       VAL  59  -4.950  -8.976   5.637
  435   HG11  VAL  59          HG11      VAL  59  -4.006  -9.902   3.610
  436   HG12  VAL  59          HG12      VAL  59  -5.133 -11.257   3.647
  437   HG13  VAL  59          HG13      VAL  59  -3.872 -11.126   4.874
  438   HG21  VAL  59          HG21      VAL  59  -6.166  -8.727   3.374
  439   HG22  VAL  59          HG22      VAL  59  -7.095  -8.348   4.825
  440   HG23  VAL  59          HG23      VAL  59  -7.327  -9.895   4.009
  441    H    GLU  60           H        GLU  60  -5.797  -9.310   8.303
  442    HA   GLU  60           HA       GLU  60  -8.701  -8.644   8.570
  443    HB2  GLU  60           HB3      GLU  60  -7.683  -9.969  10.435
  444    HB3  GLU  60           HB2      GLU  60  -6.569  -8.638  10.724
  445    HG2  GLU  60           HG3      GLU  60  -8.517  -7.135  11.071
  446    HG3  GLU  60           HG2      GLU  60  -9.582  -8.524  10.897
  447    H    LEU  61           H        LEU  61  -9.258  -6.459   9.044
  448    HA   LEU  61           HA       LEU  61  -7.314  -4.499   8.048
  449    HB2  LEU  61           HB3      LEU  61 -10.118  -4.054   9.112
  450    HB3  LEU  61           HB2      LEU  61  -9.162  -2.917   8.166
  451    HG   LEU  61           HG       LEU  61 -10.173  -5.611   7.239
  452   HD11  LEU  61          HD11      LEU  61 -11.524  -3.232   7.368
  453   HD12  LEU  61          HD12      LEU  61 -11.855  -4.498   6.185
  454   HD13  LEU  61          HD13      LEU  61 -10.813  -3.141   5.757
  455   HD21  LEU  61          HD21      LEU  61  -8.227  -3.635   6.083
  456   HD22  LEU  61          HD22      LEU  61  -9.246  -4.583   4.999
  457   HD23  LEU  61          HD23      LEU  61  -8.139  -5.396   6.106
  458    H    SER  62           H        SER  62  -6.297  -2.936   9.294
  459    HA   SER  62           HA       SER  62  -7.031  -2.574  12.114
  460    HB2  SER  62           HB3      SER  62  -5.445  -3.896  13.007
  461    HB3  SER  62           HB2      SER  62  -5.039  -4.459  11.388
  462    HG   SER  62           HG       SER  62  -3.229  -3.523  12.351
  463    HA   PRO  63           HA       PRO  63  -5.788   1.449  10.325
  464    HB2  PRO  63           HB3      PRO  63  -6.082   2.226  13.182
  465    HB3  PRO  63           HB2      PRO  63  -6.748   2.994  11.734
  466    HG2  PRO  63           HG3      PRO  63  -8.253   1.525  13.385
  467    HG3  PRO  63           HG2      PRO  63  -8.539   1.581  11.639
  468    HD2  PRO  63           HD3      PRO  63  -7.400  -0.616  13.280
  469    HD3  PRO  63           HD2      PRO  63  -8.260  -0.692  11.727
  470    H    GLU  64           H        GLU  64  -4.497   0.066  13.320
  471    HA   GLU  64           HA       GLU  64  -2.139   1.712  13.425
  472    HB2  GLU  64           HB3      GLU  64  -2.693  -1.026  14.575
  473    HB3  GLU  64           HB2      GLU  64  -1.286  -0.049  14.970
  474    HG2  GLU  64           HG3      GLU  64  -2.790   1.751  15.758
  475    HG3  GLU  64           HG2      GLU  64  -4.173   0.713  15.429
  476    H    HIS  65           H        HIS  65  -2.976  -1.201  11.681
  477    HA   HIS  65           HA       HIS  65  -0.290  -2.032  11.055
  478    HB2  HIS  65           HB3      HIS  65  -2.100  -3.607  10.786
  479    HB3  HIS  65           HB2      HIS  65  -2.927  -2.536   9.655
  480    HD1  HIS  65           HD1      HIS  65  -2.327  -2.752   7.228
  481    HD2  HIS  65           HD2      HIS  65   0.470  -4.615   9.699
  482    HE1  HIS  65           HE1      HIS  65  -0.716  -3.969   5.697
  483    HE2  HIS  65           HE2      HIS  65   0.995  -5.098   7.190
  484    H    PHE  66           H        PHE  66  -2.424   0.376   9.683
  485    HA   PHE  66           HA       PHE  66  -0.567   0.733   7.384
  486    HB2  PHE  66           HB3      PHE  66  -3.295   1.940   7.940
  487    HB3  PHE  66           HB2      PHE  66  -2.346   2.198   6.475
  488    HD1  PHE  66           HD1      PHE  66  -2.142   0.484   4.787
  489    HD2  PHE  66           HD2      PHE  66  -4.174  -0.319   8.482
  490    HE1  PHE  66           HE1      PHE  66  -3.000  -1.646   3.851
  491    HE2  PHE  66           HE2      PHE  66  -5.038  -2.447   7.546
  492    HZ   PHE  66           HZ       PHE  66  -4.451  -3.110   5.230
  493    H    ARG  67           H        ARG  67  -0.552   1.675  10.433
  494    HA   ARG  67           HA       ARG  67  -0.514   4.495  10.500
  495    HB2  ARG  67           HB3      ARG  67  -0.314   2.969  12.485
  496    HB3  ARG  67           HB2      ARG  67   1.345   2.629  12.007
  497    HG2  ARG  67           HG3      ARG  67   1.620   4.345  13.572
  498    HG3  ARG  67           HG2      ARG  67   1.614   5.227  12.047
  499    HD2  ARG  67           HD3      ARG  67  -0.745   5.790  12.331
  500    HD3  ARG  67           HD2      ARG  67  -0.827   4.813  13.795
  501    HE   ARG  67           HE       ARG  67   0.324   6.536  14.966
  502   HH11  ARG  67          HH11      ARG  67   1.068   8.663  15.099
  503   HH12  ARG  67          HH12      ARG  67   1.277   9.586  13.648
  504   HH21  ARG  67          HH21      ARG  67   0.238   7.027  11.554
  505   HH22  ARG  67          HH22      ARG  67   0.806   8.659  11.643
  506    H    SER  68           H        SER  68   1.971   2.207   9.432
  507    HA   SER  68           HA       SER  68   3.396   4.480   8.157
  508    HB2  SER  68           HB3      SER  68   5.548   3.792   9.025
  509    HB3  SER  68           HB2      SER  68   4.458   4.020  10.390
  510    HG   SER  68           HG       SER  68   4.239   1.519   9.445
  511    H    ILE  69           H        ILE  69   4.871   3.762   6.438
  512    HA   ILE  69           HA       ILE  69   3.782   1.677   4.824
  513    HB   ILE  69           HB       ILE  69   6.504   2.999   4.676
  514   HG12  ILE  69          HG13      ILE  69   3.916   3.670   3.270
  515   HG13  ILE  69          HG12      ILE  69   4.573   4.566   4.630
  516   HG21  ILE  69          HG21      ILE  69   6.863   1.655   2.923
  517   HG22  ILE  69          HG22      ILE  69   5.410   2.295   2.157
  518   HG23  ILE  69          HG23      ILE  69   5.306   0.875   3.194
  519   HD11  ILE  69          HD11      ILE  69   5.230   5.710   2.601
  520   HD12  ILE  69          HD12      ILE  69   5.849   4.209   1.911
  521   HD13  ILE  69          HD13      ILE  69   6.663   4.946   3.291
  522    H    ARG  70           H        ARG  70   6.543   1.753   7.053
  523    HA   ARG  70           HA       ARG  70   7.699  -0.735   6.304
  524    HB2  ARG  70           HB3      ARG  70   7.617   0.628   9.011
  525    HB3  ARG  70           HB2      ARG  70   8.664  -0.733   8.606
  526    HG2  ARG  70           HG3      ARG  70   9.631   0.629   6.741
  527    HG3  ARG  70           HG2      ARG  70   8.672   2.000   7.298
  528    HD2  ARG  70           HD3      ARG  70  10.790   0.530   8.893
  529    HD3  ARG  70           HD2      ARG  70  10.925   2.158   8.229
  530    HE   ARG  70           HE       ARG  70   8.634   2.148   9.874
  531   HH11  ARG  70          HH11      ARG  70   8.769   2.887  12.007
  532   HH12  ARG  70          HH12      ARG  70  10.305   2.910  12.806
  533   HH21  ARG  70          HH21      ARG  70  12.037   1.640  10.083
  534   HH22  ARG  70          HH22      ARG  70  12.156   2.204  11.716
  535    H    SER  71           H        SER  71   5.056  -0.007   8.577
  536    HA   SER  71           HA       SER  71   4.808  -2.638   9.654
  537    HB2  SER  71           HB3      SER  71   3.651  -0.577  10.528
  538    HB3  SER  71           HB2      SER  71   2.556  -0.670   9.152
  539    HG   SER  71           HG       SER  71   2.263  -1.872  11.413
  540    H    ILE  72           H        ILE  72   3.281  -1.123   6.809
  541    HA   ILE  72           HA       ILE  72   1.714  -3.412   6.084
  542    HB   ILE  72           HB       ILE  72   2.775  -1.150   4.367
  543   HG12  ILE  72          HG13      ILE  72   0.087  -1.459   5.742
  544   HG13  ILE  72          HG12      ILE  72   1.406  -0.468   6.367
  545   HG21  ILE  72          HG21      ILE  72   0.854  -1.727   2.914
  546   HG22  ILE  72          HG22      ILE  72   0.492  -3.099   3.962
  547   HG23  ILE  72          HG23      ILE  72   1.999  -3.061   3.048
  548   HD11  ILE  72          HD11      ILE  72  -0.158  -0.092   3.810
  549   HD12  ILE  72          HD12      ILE  72   1.400   0.691   4.072
  550   HD13  ILE  72          HD13      ILE  72   0.045   1.046   5.144
  551    H    ASP  73           H        ASP  73   4.952  -2.297   5.144
  552    HA   ASP  73           HA       ASP  73   5.440  -4.182   3.086
  553    HB2  ASP  73           HB3      ASP  73   6.883  -2.204   3.659
  554    HB3  ASP  73           HB2      ASP  73   7.480  -3.108   5.052
  555    H    ALA  74           H        ALA  74   5.952  -4.468   6.604
  556    HA   ALA  74           HA       ALA  74   7.208  -7.043   6.473
  557    HB1  ALA  74           HB1      ALA  74   6.738  -7.184   8.871
  558    HB2  ALA  74           HB2      ALA  74   5.587  -5.854   8.740
  559    HB3  ALA  74           HB3      ALA  74   7.305  -5.564   8.468
  560    H    PHE  75           H        PHE  75   3.810  -6.090   6.955
  561    HA   PHE  75           HA       PHE  75   2.810  -8.735   7.334
  562    HB2  PHE  75           HB3      PHE  75   1.526  -6.646   7.801
  563    HB3  PHE  75           HB2      PHE  75   1.368  -6.404   6.063
  564    HD1  PHE  75           HD1      PHE  75   0.470  -8.612   8.895
  565    HD2  PHE  75           HD2      PHE  75  -0.147  -7.730   4.737
  566    HE1  PHE  75           HE1      PHE  75  -1.479 -10.145   8.860
  567    HE2  PHE  75           HE2      PHE  75  -2.097  -9.262   4.701
  568    HZ   PHE  75           HZ       PHE  75  -2.762 -10.470   6.763
  569    H    VAL  76           H        VAL  76   3.080  -6.761   4.363
  570    HA   VAL  76           HA       VAL  76   2.011  -8.763   2.624
  571    HB   VAL  76           HB       VAL  76   3.879  -6.430   2.135
  572   HG11  VAL  76          HG11      VAL  76   3.054  -6.816  -0.286
  573   HG12  VAL  76          HG12      VAL  76   2.651  -8.443   0.260
  574   HG13  VAL  76          HG13      VAL  76   4.320  -7.878   0.328
  575   HG21  VAL  76          HG21      VAL  76   1.948  -5.245   1.512
  576   HG22  VAL  76          HG22      VAL  76   1.380  -6.200   2.882
  577   HG23  VAL  76          HG23      VAL  76   1.019  -6.718   1.235
  578    H    VAL  77           H        VAL  77   5.375  -7.965   3.557
  579    HA   VAL  77           HA       VAL  77   6.636  -9.882   1.875
  580    HB   VAL  77           HB       VAL  77   7.429  -8.673   4.534
  581   HG11  VAL  77          HG11      VAL  77   8.785 -10.519   4.614
  582   HG12  VAL  77          HG12      VAL  77   9.759  -9.537   3.520
  583   HG13  VAL  77          HG13      VAL  77   8.699 -10.789   2.875
  584   HG21  VAL  77          HG21      VAL  77   7.329  -7.616   1.971
  585   HG22  VAL  77          HG22      VAL  77   9.008  -8.136   2.119
  586   HG23  VAL  77          HG23      VAL  77   8.330  -7.004   3.289
  587    H    GLY  78           H        GLY  78   5.303 -10.130   5.152
  588    HA2  GLY  78           HA3      GLY  78   6.224 -12.730   5.780
  589    HA3  GLY  78           HA2      GLY  78   4.745 -12.017   6.422
  590    H    ALA  79           H        ALA  79   3.499 -11.691   3.767
  591    HA   ALA  79           HA       ALA  79   2.747 -14.542   3.385
  592    HB1  ALA  79           HB1      ALA  79   0.820 -13.269   3.869
  593    HB2  ALA  79           HB2      ALA  79   0.785 -13.447   2.114
  594    HB3  ALA  79           HB3      ALA  79   1.340 -11.937   2.837
  595    H    THR  80           H        THR  80   3.368 -11.622   1.404
  596    HA   THR  80           HA       THR  80   4.779 -13.277  -0.560
  597    HB   THR  80           HB       THR  80   2.296 -13.502  -1.090
  598    HG1  THR  80           HG1      THR  80   3.831 -13.870  -2.674
  599   HG21  THR  80          HG21      THR  80   2.244 -10.801  -0.651
  600   HG22  THR  80          HG22      THR  80   1.017 -11.685  -1.556
  601   HG23  THR  80          HG23      THR  80   2.323 -10.866  -2.411
  602    H    THR  81           H        THR  81   5.953 -11.993  -2.094
  603    HA   THR  81           HA       THR  81   5.925  -9.056  -1.569
  604    HB   THR  81           HB       THR  81   7.865  -9.809  -0.417
  605    HG1  THR  81           HG1      THR  81   9.540  -9.303  -2.214
  606   HG21  THR  81          HG21      THR  81   7.883 -11.818  -2.573
  607   HG22  THR  81          HG22      THR  81   8.418 -11.957  -0.898
  608   HG23  THR  81          HG23      THR  81   9.481 -11.236  -2.107
  609    HA   PRO  82           HA       PRO  82   5.754  -9.765  -6.101
  610    HB2  PRO  82           HB3      PRO  82   3.520  -8.384  -6.621
  611    HB3  PRO  82           HB2      PRO  82   3.454  -9.989  -5.866
  612    HG2  PRO  82           HG3      PRO  82   3.045  -7.317  -4.657
  613    HG3  PRO  82           HG2      PRO  82   2.322  -8.877  -4.231
  614    HD2  PRO  82           HD3      PRO  82   4.540  -7.614  -2.952
  615    HD3  PRO  82           HD2      PRO  82   3.919  -9.251  -2.648
  616    HA   PRO  83           HA       PRO  83   7.543  -5.544  -6.486
  617    HB2  PRO  83           HB3      PRO  83   9.479  -6.159  -8.281
  618    HB3  PRO  83           HB2      PRO  83   9.650  -6.494  -6.549
  619    HG2  PRO  83           HG3      PRO  83   9.030  -8.342  -8.782
  620    HG3  PRO  83           HG2      PRO  83   9.960  -8.624  -7.302
  621    HD2  PRO  83           HD3      PRO  83   7.308  -9.415  -7.715
  622    HD3  PRO  83           HD2      PRO  83   8.107  -9.283  -6.135
  623    H    VAL  84           H        VAL  84   6.965  -3.971  -7.995
  624    HA   VAL  84           HA       VAL  84   6.168  -4.896 -10.720
  625    HB   VAL  84           HB       VAL  84   4.147  -4.586  -9.254
  626   HG11  VAL  84          HG11      VAL  84   5.163  -2.716  -7.913
  627   HG12  VAL  84          HG12      VAL  84   3.548  -2.357  -8.520
  628   HG13  VAL  84          HG13      VAL  84   4.962  -1.667  -9.316
  629   HG21  VAL  84          HG21      VAL  84   3.839  -4.335 -11.621
  630   HG22  VAL  84          HG22      VAL  84   4.592  -2.741 -11.614
  631   HG23  VAL  84          HG23      VAL  84   3.011  -2.973 -10.867
  632    H    GLU  85           H        GLU  85   6.734  -3.466 -12.361
  633    HA   GLU  85           HA       GLU  85   8.780  -1.537 -11.832
  634    HB2  GLU  85           HB3      GLU  85   7.003  -1.893 -14.265
  635    HB3  GLU  85           HB2      GLU  85   8.437  -0.867 -14.214
  636    HG2  GLU  85           HG3      GLU  85   9.808  -2.849 -13.608
  637    HG3  GLU  85           HG2      GLU  85   8.371  -3.863 -13.743
  638    H    ALA  86           H        ALA  86   5.280  -1.245 -12.241
  639    HA   ALA  86           HA       ALA  86   5.433   1.470 -11.079
  640    HB1  ALA  86           HB1      ALA  86   5.345   2.340 -13.198
  641    HB2  ALA  86           HB2      ALA  86   3.625   1.989 -13.025
  642    HB3  ALA  86           HB3      ALA  86   4.672   0.862 -13.886
  643    H    LYS  87           H        LYS  87   3.339   2.176 -10.250
  644    HA   LYS  87           HA       LYS  87   1.813   0.123  -9.025
  645    HB2  LYS  87           HB3      LYS  87   1.867   2.507  -8.273
  646    HB3  LYS  87           HB2      LYS  87   0.887   2.938  -9.677
  647    HG2  LYS  87           HG3      LYS  87  -0.874   1.364  -8.901
  648    HG3  LYS  87           HG2      LYS  87   0.093   1.018  -7.467
  649    HD2  LYS  87           HD3      LYS  87   0.033   3.457  -6.901
  650    HD3  LYS  87           HD2      LYS  87  -1.066   3.705  -8.259
  651    HE2  LYS  87           HE3      LYS  87  -1.570   2.422  -5.626
  652    HE3  LYS  87           HE2      LYS  87  -2.658   3.362  -6.648
  653    HZ1  LYS  87           HZ1      LYS  87  -2.498   1.344  -8.205
  654    HZ2  LYS  87           HZ2      LYS  87  -3.481   1.228  -6.825
  655    HZ3  LYS  87           HZ3      LYS  87  -1.941   0.511  -6.837
  656    H    LEU  88           H        LEU  88   1.329   1.854 -12.079
  657    HA   LEU  88           HA       LEU  88  -1.181   0.362 -12.570
  658    HB2  LEU  88           HB3      LEU  88   0.256   2.357 -14.348
  659    HB3  LEU  88           HB2      LEU  88  -1.390   1.761 -14.556
  660    HG   LEU  88           HG       LEU  88  -0.360   3.412 -12.231
  661   HD11  LEU  88          HD11      LEU  88  -2.667   4.305 -13.837
  662   HD12  LEU  88          HD12      LEU  88  -1.142   4.255 -14.721
  663   HD13  LEU  88          HD13      LEU  88  -1.279   5.223 -13.253
  664   HD21  LEU  88          HD21      LEU  88  -2.906   1.893 -12.712
  665   HD22  LEU  88          HD22      LEU  88  -2.968   3.407 -11.808
  666   HD23  LEU  88          HD23      LEU  88  -1.978   2.069 -11.223
  667    H    GLN  89           H        GLN  89  -1.363  -1.256 -14.130
  668    HA   GLN  89           HA       GLN  89   1.138  -2.559 -14.925
  669    HB2  GLN  89           HB3      GLN  89  -1.758  -3.244 -15.520
  670    HB3  GLN  89           HB2      GLN  89  -0.377  -4.269 -15.912
  671    HG2  GLN  89           HG3      GLN  89   0.234  -4.303 -13.490
  672    HG3  GLN  89           HG2      GLN  89  -1.232  -3.387 -13.140
  673   HE21  GLN  89          HE21      GLN  89  -2.068  -5.282 -15.723
  674   HE22  GLN  89          HE22      GLN  89  -2.681  -6.636 -14.902
  675    H3   7V9 101          1H1       NIA 101 -10.792   5.915   8.805
  676    H4   7V9 101          2H1       NIA 101  -9.640   5.372   7.586
  677    H5   7V9 101          1HE1      NIA 101 -11.902   4.414  10.160
  678    H6   7V9 101          2HE1      NIA 101 -10.400   4.512  11.079
  679    H7   7V9 101          3HE1      NIA 101 -11.112   2.939  10.718
  680    H8   7V9 101          2HE2      NIA 101  -8.291   4.911   9.370
  681    H9   7V9 101          3HE2      NIA 101  -8.114   3.324   8.623
  682    H10  7V9 101          1HE2      NIA 101  -8.490   3.453  10.340
  683    H11  7V9 101          3H        NIA 101 -10.033   2.616   7.311
  684    H12  7V9 101          3HO       NIA 101 -12.135   2.703   7.251
  685    H13  7V9 101          5H        NIA 101  -8.054   1.389   9.581
  686    H14  7V9 101          1H6       NIA 101  -7.934  -0.751   8.206
  687    H15  7V9 101          2H6       NIA 101  -9.117   0.014   7.146
  688    H16  7V9 101          1H7       NIA 101  -6.412   1.241   7.720
  689    H17  7V9 101          2H7       NIA 101  -7.549   1.680   6.446
  690    H18  7V9 101          9H        NIA 101  -5.152   1.064   5.292
  691    H19  7V9 101          1H10      NIA 101  -5.638  -1.343   3.811
  692    H20  7V9 101          2H10      NIA 101  -6.856  -0.139   3.391
  693    H21  7V9 101          1H11      NIA 101  -4.052   0.825   3.414
  694    H22  7V9 101          2H11      NIA 101  -5.359   1.185   2.287
  695    H25  7V9 101          5H1       NIA 101  -0.791  -2.072   1.362
  696    H26  7V9 101          7H1       NIA 101  -1.610  -3.148  -2.606
  697    H27  7V9 101          8H1       NIA 101  -3.320  -1.351  -2.767
  698    H28  7V9 101          9H1       NIA 101  -3.556   0.274  -0.918
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1  14.785  -1.148   0.026
    2    H2   MET   1           H2       MET   1  14.805  -2.113  -1.371
    3    H3   MET   1           H3       MET   1  15.526  -2.673   0.061
    4    HA   MET   1           HA       MET   1  13.553  -3.180   1.056
    5    HB2  MET   1           HB3      MET   1  11.384  -2.163   0.174
    6    HB3  MET   1           HB2      MET   1  12.482  -1.051   0.988
    7    HG2  MET   1           HG3      MET   1  13.418  -0.540  -1.363
    8    HG3  MET   1           HG2      MET   1  11.980  -1.356  -1.974
    9    HE1  MET   1           HE1      MET   1  12.480   2.547   0.229
   10    HE2  MET   1           HE2      MET   1  13.535   1.138   0.178
   11    HE3  MET   1           HE3      MET   1  12.208   1.195   1.336
   12    H    GLN   2           H        GLN   2  12.823  -5.168   0.520
   13    HA   GLN   2           HA       GLN   2  13.228  -6.310  -2.049
   14    HB2  GLN   2           HB3      GLN   2  12.970  -7.558   0.132
   15    HB3  GLN   2           HB2      GLN   2  11.235  -7.263   0.022
   16    HG2  GLN   2           HG3      GLN   2  11.551  -9.411  -0.948
   17    HG3  GLN   2           HG2      GLN   2  11.369  -8.312  -2.317
   18   HE21  GLN   2          HE21      GLN   2  12.950  -8.560  -3.895
   19   HE22  GLN   2          HE22      GLN   2  14.515  -9.159  -3.623
   20    H    HIS   3           H        HIS   3  10.248  -4.994  -0.566
   21    HA   HIS   3           HA       HIS   3   9.169  -4.628  -3.299
   22    HB2  HIS   3           HB3      HIS   3   7.658  -6.154  -1.160
   23    HB3  HIS   3           HB2      HIS   3   7.046  -5.733  -2.758
   24    HD1  HIS   3           HD1      HIS   3   8.914  -6.599  -4.750
   25    HD2  HIS   3           HD2      HIS   3   8.630  -8.729  -1.176
   26    HE1  HIS   3           HE1      HIS   3   9.872  -8.900  -5.209
   27    HE2  HIS   3           HE2      HIS   3   9.702 -10.205  -3.040
   28    H    ALA   4           H        ALA   4   9.747  -3.312  -0.342
   29    HA   ALA   4           HA       ALA   4   7.289  -1.996   0.283
   30    HB1  ALA   4           HB1      ALA   4   9.608  -2.143   1.585
   31    HB2  ALA   4           HB2      ALA   4   8.486  -0.811   1.858
   32    HB3  ALA   4           HB3      ALA   4   9.873  -0.589   0.794
   33    H    SER   5           H        SER   5   9.850  -1.227  -2.021
   34    HA   SER   5           HA       SER   5   9.132   1.471  -2.553
   35    HB2  SER   5           HB3      SER   5  10.301   1.210  -4.655
   36    HB3  SER   5           HB2      SER   5  11.170   0.274  -3.443
   37    HG   SER   5           HG       SER   5  10.137  -0.571  -5.714
   38    H    VAL   6           H        VAL   6   7.767  -1.571  -3.719
   39    HA   VAL   6           HA       VAL   6   6.064  -0.415  -5.721
   40    HB   VAL   6           HB       VAL   6   5.816  -2.969  -4.127
   41   HG11  VAL   6          HG11      VAL   6   4.117  -1.749  -6.273
   42   HG12  VAL   6          HG12      VAL   6   3.628  -2.681  -4.857
   43   HG13  VAL   6          HG13      VAL   6   4.331  -3.500  -6.252
   44   HG21  VAL   6          HG21      VAL   6   7.526  -2.180  -6.232
   45   HG22  VAL   6          HG22      VAL   6   6.312  -3.231  -6.961
   46   HG23  VAL   6          HG23      VAL   6   7.287  -3.814  -5.611
   47    H    ILE   7           H        ILE   7   5.674  -1.052  -2.273
   48    HA   ILE   7           HA       ILE   7   2.897  -0.456  -2.082
   49    HB   ILE   7           HB       ILE   7   5.027   0.057  -0.005
   50   HG12  ILE   7          HG13      ILE   7   5.248  -2.230  -0.728
   51   HG13  ILE   7          HG12      ILE   7   4.366  -2.239   0.795
   52   HG21  ILE   7          HG21      ILE   7   3.052  -0.494   1.518
   53   HG22  ILE   7          HG22      ILE   7   2.032  -0.317   0.090
   54   HG23  ILE   7          HG23      ILE   7   2.972   1.055   0.678
   55   HD11  ILE   7          HD11      ILE   7   3.319  -2.690  -1.978
   56   HD12  ILE   7          HD12      ILE   7   2.245  -2.135  -0.695
   57   HD13  ILE   7          HD13      ILE   7   3.089  -3.675  -0.535
   58    H    ALA   8           H        ALA   8   5.741   1.659  -1.658
   59    HA   ALA   8           HA       ALA   8   4.246   4.020  -1.071
   60    HB1  ALA   8           HB1      ALA   8   7.029   3.431  -1.963
   61    HB2  ALA   8           HB2      ALA   8   6.468   4.331  -0.555
   62    HB3  ALA   8           HB3      ALA   8   6.447   5.086  -2.150
   63    H    GLN   9           H        GLN   9   5.639   2.904  -4.172
   64    HA   GLN   9           HA       GLN   9   4.498   5.100  -5.645
   65    HB2  GLN   9           HB3      GLN   9   5.336   4.068  -7.592
   66    HB3  GLN   9           HB2      GLN   9   6.473   3.591  -6.334
   67    HG2  GLN   9           HG3      GLN   9   6.040   1.560  -7.404
   68    HG3  GLN   9           HG2      GLN   9   4.906   1.527  -6.058
   69   HE21  GLN   9          HE21      GLN   9   3.190   0.346  -7.053
   70   HE22  GLN   9          HE22      GLN   9   2.355   0.901  -8.422
   71    H    PHE  10           H        PHE  10   3.456   1.746  -5.110
   72    HA   PHE  10           HA       PHE  10   1.164   1.844  -6.806
   73    HB2  PHE  10           HB3      PHE  10   2.100  -0.244  -5.801
   74    HB3  PHE  10           HB2      PHE  10   1.495   0.279  -4.230
   75    HD1  PHE  10           HD1      PHE  10   0.511  -0.779  -7.643
   76    HD2  PHE  10           HD2      PHE  10  -0.845   0.165  -3.678
   77    HE1  PHE  10           HE1      PHE  10  -1.717  -1.725  -8.181
   78    HE2  PHE  10           HE2      PHE  10  -3.074  -0.780  -4.216
   79    HZ   PHE  10           HZ       PHE  10  -3.510  -1.726  -6.466
   80    H    VAL  11           H        VAL  11   1.525   2.537  -3.335
   81    HA   VAL  11           HA       VAL  11  -1.232   3.237  -2.921
   82    HB   VAL  11           HB       VAL  11   1.263   4.050  -1.399
   83   HG11  VAL  11          HG11      VAL  11  -1.685   4.346  -0.829
   84   HG12  VAL  11          HG12      VAL  11  -0.430   5.582  -0.760
   85   HG13  VAL  11          HG13      VAL  11  -0.491   4.318   0.469
   86   HG21  VAL  11          HG21      VAL  11   0.948   2.138  -0.091
   87   HG22  VAL  11          HG22      VAL  11   0.499   1.547  -1.690
   88   HG23  VAL  11          HG23      VAL  11  -0.754   1.995  -0.532
   89    H    VAL  12           H        VAL  12   1.679   5.226  -3.478
   90    HA   VAL  12           HA       VAL  12   0.306   7.741  -3.442
   91    HB   VAL  12           HB       VAL  12   2.915   6.904  -4.702
   92   HG11  VAL  12          HG11      VAL  12   2.222   8.866  -5.881
   93   HG12  VAL  12          HG12      VAL  12   3.352   9.419  -4.645
   94   HG13  VAL  12          HG13      VAL  12   1.615   9.618  -4.406
   95   HG21  VAL  12          HG21      VAL  12   3.832   7.266  -2.662
   96   HG22  VAL  12          HG22      VAL  12   2.182   7.200  -2.042
   97   HG23  VAL  12          HG23      VAL  12   2.916   8.755  -2.433
   98    H    GLU  13           H        GLU  13   0.984   5.436  -6.023
   99    HA   GLU  13           HA       GLU  13   0.442   7.014  -8.275
  100    HB2  GLU  13           HB3      GLU  13   1.183   4.635  -8.347
  101    HB3  GLU  13           HB2      GLU  13  -0.439   4.152  -7.870
  102    HG2  GLU  13           HG3      GLU  13  -1.325   5.335  -9.894
  103    HG3  GLU  13           HG2      GLU  13   0.343   5.618 -10.387
  104    H    GLU  14           H        GLU  14  -1.831   5.510  -6.027
  105    HA   GLU  14           HA       GLU  14  -4.195   6.074  -7.558
  106    HB2  GLU  14           HB3      GLU  14  -3.816   5.654  -4.582
  107    HB3  GLU  14           HB2      GLU  14  -5.383   5.712  -5.391
  108    HG2  GLU  14           HG3      GLU  14  -4.686   3.812  -6.833
  109    HG3  GLU  14           HG2      GLU  14  -3.158   3.729  -5.954
  110    H    PHE  15           H        PHE  15  -2.403   7.963  -5.148
  111    HA   PHE  15           HA       PHE  15  -4.479  10.069  -5.239
  112    HB2  PHE  15           HB3      PHE  15  -1.863  10.029  -3.711
  113    HB3  PHE  15           HB2      PHE  15  -3.207  11.142  -3.467
  114    HD1  PHE  15           HD1      PHE  15  -1.917   7.794  -2.873
  115    HD2  PHE  15           HD2      PHE  15  -5.381  10.307  -2.567
  116    HE1  PHE  15           HE1      PHE  15  -2.965   6.153  -1.346
  117    HE2  PHE  15           HE2      PHE  15  -6.435   8.669  -1.030
  118    HZ   PHE  15           HZ       PHE  15  -5.227   6.590  -0.419
  119    H    LEU  16           H        LEU  16  -0.900  10.124  -5.564
  120    HA   LEU  16           HA       LEU  16  -1.271  12.196  -7.698
  121    HB2  LEU  16           HB3      LEU  16   0.341  12.212  -5.229
  122    HB3  LEU  16           HB2      LEU  16   1.209  12.731  -6.674
  123    HG   LEU  16           HG       LEU  16  -0.614  14.338  -7.175
  124   HD11  LEU  16          HD11      LEU  16  -1.841  12.890  -4.912
  125   HD12  LEU  16          HD12      LEU  16  -2.609  13.757  -6.243
  126   HD13  LEU  16          HD13      LEU  16  -2.013  14.644  -4.841
  127   HD21  LEU  16          HD21      LEU  16   1.360  14.523  -5.203
  128   HD22  LEU  16          HD22      LEU  16  -0.093  15.148  -4.422
  129   HD23  LEU  16          HD23      LEU  16   0.481  15.871  -5.925
  130    HA   PRO  17           HA       PRO  17   1.311   8.814  -9.446
  131    HB2  PRO  17           HB3      PRO  17  -0.118   8.481 -11.738
  132    HB3  PRO  17           HB2      PRO  17  -0.546   7.687 -10.213
  133    HG2  PRO  17           HG3      PRO  17  -1.810   9.977 -11.558
  134    HG3  PRO  17           HG2      PRO  17  -2.511   8.763 -10.480
  135    HD2  PRO  17           HD3      PRO  17  -1.778  11.403  -9.778
  136    HD3  PRO  17           HD2      PRO  17  -2.219  10.096  -8.660
  137    H    ASP  18           H        ASP  18   0.206  11.887 -10.685
  138    HA   ASP  18           HA       ASP  18   1.962  11.912 -13.006
  139    HB2  ASP  18           HB3      ASP  18   0.454  14.096 -11.562
  140    HB3  ASP  18           HB2      ASP  18   1.365  14.352 -13.045
  141    H    VAL  19           H        VAL  19   2.522  12.060  -9.747
  142    HA   VAL  19           HA       VAL  19   4.958  13.762 -10.086
  143    HB   VAL  19           HB       VAL  19   3.515  13.023  -7.520
  144   HG11  VAL  19          HG11      VAL  19   5.657  15.102  -8.053
  145   HG12  VAL  19          HG12      VAL  19   5.978  13.508  -7.368
  146   HG13  VAL  19          HG13      VAL  19   4.976  14.663  -6.487
  147   HG21  VAL  19          HG21      VAL  19   2.570  15.223  -7.540
  148   HG22  VAL  19          HG22      VAL  19   2.268  14.555  -9.143
  149   HG23  VAL  19          HG23      VAL  19   3.574  15.715  -8.904
  150    H    ALA  20           H        ALA  20   6.957  12.825  -9.515
  151    HA   ALA  20           HA       ALA  20   7.164  10.001  -9.675
  152    HB1  ALA  20           HB1      ALA  20   8.956  11.975  -9.907
  153    HB2  ALA  20           HB2      ALA  20   9.443  10.321  -9.536
  154    HB3  ALA  20           HB3      ALA  20   9.298  11.508  -8.241
  155    HA   PRO  21           HA       PRO  21   5.791   9.301  -5.418
  156    HB2  PRO  21           HB3      PRO  21   6.230   6.564  -5.393
  157    HB3  PRO  21           HB2      PRO  21   4.752   7.354  -5.972
  158    HG2  PRO  21           HG3      PRO  21   6.989   6.187  -7.498
  159    HG3  PRO  21           HG2      PRO  21   5.276   6.329  -7.917
  160    HD2  PRO  21           HD3      PRO  21   7.268   7.924  -8.958
  161    HD3  PRO  21           HD2      PRO  21   5.554   8.390  -8.885
  162    H    ALA  22           H        ALA  22   8.876   8.369  -6.747
  163    HA   ALA  22           HA       ALA  22  10.108   7.591  -4.243
  164    HB1  ALA  22           HB1      ALA  22  11.924   8.727  -6.238
  165    HB2  ALA  22           HB2      ALA  22  10.842   7.516  -6.923
  166    HB3  ALA  22           HB3      ALA  22  11.881   7.098  -5.563
  167    H    ASP  23           H        ASP  23   9.185  10.591  -5.587
  168    HA   ASP  23           HA       ASP  23  11.227  12.179  -4.206
  169    HB2  ASP  23           HB3      ASP  23   8.687  12.949  -5.673
  170    HB3  ASP  23           HB2      ASP  23   9.817  14.112  -4.979
  171    H    VAL  24           H        VAL  24   8.714  10.430  -3.108
  172    HA   VAL  24           HA       VAL  24   7.831  12.453  -1.112
  173    HB   VAL  24           HB       VAL  24   6.750   9.667  -1.647
  174   HG11  VAL  24          HG11      VAL  24   4.811  11.304  -0.460
  175   HG12  VAL  24          HG12      VAL  24   6.296  11.661   0.424
  176   HG13  VAL  24          HG13      VAL  24   5.705  10.002   0.325
  177   HG21  VAL  24          HG21      VAL  24   4.821  11.021  -2.638
  178   HG22  VAL  24          HG22      VAL  24   6.304  10.993  -3.593
  179   HG23  VAL  24          HG23      VAL  24   5.909  12.409  -2.618
  180    H    ASP  25           H        ASP  25   8.404  12.221   1.041
  181    HA   ASP  25           HA       ASP  25  10.625  10.533   1.699
  182    HB2  ASP  25           HB3      ASP  25   8.659  12.014   3.472
  183    HB3  ASP  25           HB2      ASP  25  10.126  11.231   4.060
  184    H    VAL  26           H        VAL  26   9.955   8.384   1.124
  185    HA   VAL  26           HA       VAL  26   7.588   7.131   2.133
  186    HB   VAL  26           HB       VAL  26   8.632   5.036   1.487
  187   HG11  VAL  26          HG11      VAL  26   8.433   7.316  -0.193
  188   HG12  VAL  26          HG12      VAL  26   8.356   5.620  -0.669
  189   HG13  VAL  26          HG13      VAL  26   9.905   6.463  -0.661
  190   HG21  VAL  26          HG21      VAL  26  11.083   5.163   0.715
  191   HG22  VAL  26          HG22      VAL  26  10.802   5.183   2.456
  192   HG23  VAL  26          HG23      VAL  26  11.164   6.684   1.604
  193    H    ASP  27           H        ASP  27  10.105   8.373   3.859
  194    HA   ASP  27           HA       ASP  27  10.173   6.225   5.902
  195    HB2  ASP  27           HB3      ASP  27  11.628   8.879   5.689
  196    HB3  ASP  27           HB2      ASP  27  11.830   7.742   7.023
  197    H    LEU  28           H        LEU  28   8.067   8.557   5.123
  198    HA   LEU  28           HA       LEU  28   7.585   9.514   7.893
  199    HB2  LEU  28           HB3      LEU  28   7.580  11.141   5.993
  200    HB3  LEU  28           HB2      LEU  28   6.186  10.301   5.322
  201    HG   LEU  28           HG       LEU  28   5.957  11.077   8.176
  202   HD11  LEU  28          HD11      LEU  28   7.054  13.076   7.371
  203   HD12  LEU  28          HD12      LEU  28   5.332  13.427   7.505
  204   HD13  LEU  28          HD13      LEU  28   6.045  13.105   5.925
  205   HD21  LEU  28          HD21      LEU  28   4.224  10.071   6.422
  206   HD22  LEU  28          HD22      LEU  28   4.018  11.769   5.998
  207   HD23  LEU  28          HD23      LEU  28   3.700  11.227   7.646
  208    H    ASP  29           H        ASP  29   5.806   8.849   9.066
  209    HA   ASP  29           HA       ASP  29   4.516   6.413   8.362
  210    HB2  ASP  29           HB3      ASP  29   3.680   8.582  10.313
  211    HB3  ASP  29           HB2      ASP  29   2.918   6.994  10.214
  212    H    LEU  30           H        LEU  30   2.983   6.100   6.834
  213    HA   LEU  30           HA       LEU  30   1.819   8.263   5.378
  214    HB2  LEU  30           HB3      LEU  30   0.405   6.527   4.328
  215    HB3  LEU  30           HB2      LEU  30   2.093   6.022   4.402
  216    HG   LEU  30           HG       LEU  30   0.695   5.257   6.825
  217   HD11  LEU  30          HD11      LEU  30  -0.492   4.442   4.167
  218   HD12  LEU  30          HD12      LEU  30  -1.328   5.084   5.582
  219   HD13  LEU  30          HD13      LEU  30  -0.667   3.450   5.614
  220   HD21  LEU  30          HD21      LEU  30   1.609   3.055   6.214
  221   HD22  LEU  30          HD22      LEU  30   2.829   4.311   6.001
  222   HD23  LEU  30          HD23      LEU  30   1.987   3.653   4.599
  223    H    VAL  31           H        VAL  31   1.212   7.571   8.489
  224    HA   VAL  31           HA       VAL  31  -1.570   7.301   8.784
  225    HB   VAL  31           HB       VAL  31   0.247   7.479  10.614
  226   HG11  VAL  31          HG11      VAL  31  -0.501  10.407  10.484
  227   HG12  VAL  31          HG12      VAL  31   0.966   9.774   9.736
  228   HG13  VAL  31          HG13      VAL  31   0.740   9.648  11.481
  229   HG21  VAL  31          HG21      VAL  31  -2.457   8.828  10.808
  230   HG22  VAL  31          HG22      VAL  31  -1.440   8.530  12.218
  231   HG23  VAL  31          HG23      VAL  31  -2.040   7.175  11.261
  232    H    ASP  32           H        ASP  32   0.336  10.179   8.009
  233    HA   ASP  32           HA       ASP  32  -1.766  12.095   8.153
  234    HB2  ASP  32           HB3      ASP  32   0.633  11.950   6.296
  235    HB3  ASP  32           HB2      ASP  32  -0.414  13.360   6.447
  236    H    ASN  33           H        ASN  33  -0.820   9.760   5.709
  237    HA   ASN  33           HA       ASN  33  -2.894  10.653   3.831
  238    HB2  ASN  33           HB3      ASN  33  -1.067   8.247   3.739
  239    HB3  ASN  33           HB2      ASN  33  -2.087   8.815   2.419
  240   HD21  ASN  33          HD21      ASN  33   1.021   8.737   3.018
  241   HD22  ASN  33          HD22      ASN  33   1.525  10.277   2.515
  242    H    GLY  34           H        GLY  34  -3.382   9.463   6.625
  243    HA2  GLY  34           HA3      GLY  34  -4.442   6.917   6.654
  244    HA3  GLY  34           HA2      GLY  34  -5.214   8.259   7.502
  245    H    VAL  35           H        VAL  35  -5.403   9.478   4.616
  246    HA   VAL  35           HA       VAL  35  -8.141   9.015   4.161
  247    HB   VAL  35           HB       VAL  35  -5.915   9.707   2.221
  248   HG11  VAL  35          HG11      VAL  35  -8.914   9.600   1.807
  249   HG12  VAL  35          HG12      VAL  35  -7.674   8.742   0.892
  250   HG13  VAL  35          HG13      VAL  35  -7.822  10.493   0.748
  251   HG21  VAL  35          HG21      VAL  35  -8.138  11.480   3.232
  252   HG22  VAL  35          HG22      VAL  35  -6.584  11.950   2.545
  253   HG23  VAL  35          HG23      VAL  35  -6.659  11.258   4.165
  254    H    ILE  36           H        ILE  36  -5.324   7.192   3.075
  255    HA   ILE  36           HA       ILE  36  -6.748   5.438   1.287
  256    HB   ILE  36           HB       ILE  36  -4.188   5.883   1.495
  257   HG12  ILE  36          HG13      ILE  36  -5.537   3.230   1.015
  258   HG13  ILE  36          HG12      ILE  36  -4.846   4.347  -0.163
  259   HG21  ILE  36          HG21      ILE  36  -2.979   4.535   3.018
  260   HG22  ILE  36          HG22      ILE  36  -4.370   3.497   3.336
  261   HG23  ILE  36          HG23      ILE  36  -4.331   5.139   3.976
  262   HD11  ILE  36          HD11      ILE  36  -3.167   2.758  -0.106
  263   HD12  ILE  36          HD12      ILE  36  -3.474   2.341   1.579
  264   HD13  ILE  36          HD13      ILE  36  -2.609   3.825   1.181
  265    H    ASP  37           H        ASP  37  -6.357   5.535   4.733
  266    HA   ASP  37           HA       ASP  37  -6.635   2.828   5.432
  267    HB2  ASP  37           HB3      ASP  37  -7.772   5.269   6.819
  268    HB3  ASP  37           HB2      ASP  37  -7.678   3.664   7.539
  269    H    SER  38           H        SER  38  -9.126   5.086   4.329
  270    HA   SER  38           HA       SER  38 -11.098   2.849   4.565
  271    HB2  SER  38          2HB       SER  38 -11.534   5.836   4.687
  272    HB3  SER  38          1HB       SER  38 -12.836   4.653   4.631
  273    H    LEU  39           H        LEU  39 -10.786   5.852   2.629
  274    HA   LEU  39           HA       LEU  39 -12.315   4.838   0.461
  275    HB2  LEU  39           HB3      LEU  39 -11.878   7.226   0.756
  276    HB3  LEU  39           HB2      LEU  39 -10.171   6.956   0.423
  277    HG   LEU  39           HG       LEU  39 -10.713   6.149  -1.822
  278   HD11  LEU  39          HD11      LEU  39 -13.227   6.684  -2.476
  279   HD12  LEU  39          HD12      LEU  39 -13.501   6.403  -0.757
  280   HD13  LEU  39          HD13      LEU  39 -12.800   5.131  -1.757
  281   HD21  LEU  39          HD21      LEU  39 -11.710   8.809  -0.887
  282   HD22  LEU  39          HD22      LEU  39 -11.968   8.351  -2.570
  283   HD23  LEU  39          HD23      LEU  39 -10.330   8.436  -1.919
  284    H    GLY  40           H        GLY  40  -8.778   5.126   0.765
  285    HA2  GLY  40           HA3      GLY  40  -8.280   3.678  -1.682
  286    HA3  GLY  40           HA2      GLY  40  -7.083   4.046  -0.447
  287    H    LEU  41           H        LEU  41  -8.433   2.790   1.737
  288    HA   LEU  41           HA       LEU  41  -7.456   0.131   1.492
  289    HB2  LEU  41           HB3      LEU  41  -7.892   1.337   3.655
  290    HB3  LEU  41           HB2      LEU  41  -9.617   1.097   3.390
  291    HG   LEU  41           HG       LEU  41  -7.939  -1.340   3.159
  292   HD11  LEU  41          HD11      LEU  41  -8.497  -0.066   5.856
  293   HD12  LEU  41          HD12      LEU  41  -6.908  -0.130   5.093
  294   HD13  LEU  41          HD13      LEU  41  -7.717  -1.620   5.573
  295   HD21  LEU  41          HD21      LEU  41 -10.541  -0.637   4.558
  296   HD22  LEU  41          HD22      LEU  41  -9.863  -2.261   4.454
  297   HD23  LEU  41          HD23      LEU  41 -10.384  -1.429   2.991
  298    H    LEU  42           H        LEU  42 -10.716   1.469   1.075
  299    HA   LEU  42           HA       LEU  42 -12.053  -1.031   0.702
  300    HB2  LEU  42           HB3      LEU  42 -13.217   1.160   1.034
  301    HB3  LEU  42           HB2      LEU  42 -12.718   1.630  -0.583
  302    HG   LEU  42           HG       LEU  42 -13.881  -0.409  -1.476
  303   HD11  LEU  42          HD11      LEU  42 -15.715  -1.167   0.282
  304   HD12  LEU  42          HD12      LEU  42 -14.492  -0.653   1.442
  305   HD13  LEU  42          HD13      LEU  42 -14.117  -1.913   0.269
  306   HD21  LEU  42          HD21      LEU  42 -15.759   1.348   0.117
  307   HD22  LEU  42          HD22      LEU  42 -16.037   0.613  -1.461
  308   HD23  LEU  42          HD23      LEU  42 -14.892   1.945  -1.297
  309    H    LYS  43           H        LYS  43 -10.484   1.181  -1.608
  310    HA   LYS  43           HA       LYS  43 -11.071  -0.373  -3.942
  311    HB2  LYS  43           HB3      LYS  43  -8.830   1.572  -3.369
  312    HB3  LYS  43           HB2      LYS  43  -9.208   0.931  -4.963
  313    HG2  LYS  43           HG3      LYS  43 -11.517   1.860  -4.742
  314    HG3  LYS  43           HG2      LYS  43 -11.038   2.595  -3.212
  315    HD2  LYS  43           HD3      LYS  43  -9.219   3.814  -4.418
  316    HD3  LYS  43           HD2      LYS  43  -9.832   3.157  -5.936
  317    HE2  LYS  43           HE3      LYS  43 -12.002   4.312  -4.422
  318    HE3  LYS  43           HE2      LYS  43 -10.708   5.494  -4.610
  319    HZ1  LYS  43           HZ1      LYS  43 -12.461   5.279  -6.454
  320    HZ2  LYS  43           HZ2      LYS  43 -11.606   3.883  -6.908
  321    HZ3  LYS  43           HZ3      LYS  43 -10.828   5.393  -6.899
  322    H    VAL  44           H        VAL  44  -8.401  -0.399  -1.623
  323    HA   VAL  44           HA       VAL  44  -6.693  -2.188  -3.047
  324    HB   VAL  44           HB       VAL  44  -7.023  -1.711  -0.074
  325   HG11  VAL  44          HG11      VAL  44  -5.184  -3.470  -1.653
  326   HG12  VAL  44          HG12      VAL  44  -5.903  -3.742  -0.066
  327   HG13  VAL  44          HG13      VAL  44  -4.539  -2.637  -0.239
  328   HG21  VAL  44          HG21      VAL  44  -5.681   0.086  -0.376
  329   HG22  VAL  44          HG22      VAL  44  -6.018  -0.081  -2.099
  330   HG23  VAL  44          HG23      VAL  44  -4.577  -0.825  -1.407
  331    H    ILE  45           H        ILE  45  -9.339  -2.793  -0.751
  332    HA   ILE  45           HA       ILE  45  -8.971  -5.598  -0.496
  333    HB   ILE  45           HB       ILE  45 -11.158  -3.654  -0.046
  334   HG12  ILE  45          HG13      ILE  45 -11.211  -4.715   2.112
  335   HG13  ILE  45          HG12      ILE  45 -10.316  -6.109   1.513
  336   HG21  ILE  45          HG21      ILE  45 -12.474  -5.185  -1.328
  337   HG22  ILE  45          HG22      ILE  45 -12.774  -5.580   0.362
  338   HG23  ILE  45          HG23      ILE  45 -11.685  -6.583  -0.596
  339   HD11  ILE  45          HD11      ILE  45  -9.141  -4.046   2.813
  340   HD12  ILE  45          HD12      ILE  45  -9.000  -3.476   1.153
  341   HD13  ILE  45          HD13      ILE  45  -8.303  -5.028   1.612
  342    H    ALA  46           H        ALA  46 -11.085  -3.792  -2.758
  343    HA   ALA  46           HA       ALA  46 -11.897  -6.145  -4.204
  344    HB1  ALA  46           HB1      ALA  46 -11.912  -3.198  -4.883
  345    HB2  ALA  46           HB2      ALA  46 -13.279  -4.211  -4.419
  346    HB3  ALA  46           HB3      ALA  46 -12.518  -4.425  -5.995
  347    H    TRP  47           H        TRP  47  -9.292  -3.786  -4.663
  348    HA   TRP  47           HA       TRP  47  -8.407  -4.830  -7.198
  349    HB2  TRP  47           HB3      TRP  47  -7.764  -2.594  -6.542
  350    HB3  TRP  47           HB2      TRP  47  -6.999  -3.195  -5.073
  351    HD1  TRP  47           HD1      TRP  47  -6.558  -3.146  -8.876
  352    HE1  TRP  47           HE1      TRP  47  -4.095  -3.670  -9.421
  353    HE3  TRP  47           HE3      TRP  47  -4.846  -4.305  -4.207
  354    HZ2  TRP  47           HZ2      TRP  47  -1.711  -4.474  -8.060
  355    HZ3  TRP  47           HZ3      TRP  47  -2.478  -4.945  -3.860
  356    HH2  TRP  47           HH2      TRP  47  -0.909  -5.032  -5.778
  357    H    LEU  48           H        LEU  48  -7.391  -5.405  -3.841
  358    HA   LEU  48           HA       LEU  48  -5.215  -7.137  -4.449
  359    HB2  LEU  48           HB3      LEU  48  -5.731  -6.076  -2.212
  360    HB3  LEU  48           HB2      LEU  48  -7.004  -7.268  -2.015
  361    HG   LEU  48           HG       LEU  48  -5.133  -8.999  -2.533
  362   HD11  LEU  48          HD11      LEU  48  -3.664  -6.697  -2.857
  363   HD12  LEU  48          HD12      LEU  48  -2.979  -8.291  -2.537
  364   HD13  LEU  48          HD13      LEU  48  -3.259  -7.166  -1.208
  365   HD21  LEU  48          HD21      LEU  48  -5.853  -9.270  -0.382
  366   HD22  LEU  48          HD22      LEU  48  -5.843  -7.536  -0.062
  367   HD23  LEU  48          HD23      LEU  48  -4.341  -8.456   0.025
  368    H    GLU  49           H        GLU  49  -8.630  -7.874  -3.697
  369    HA   GLU  49           HA       GLU  49  -8.314 -10.721  -4.001
  370    HB2  GLU  49           HB3      GLU  49 -10.202  -9.769  -2.762
  371    HB3  GLU  49           HB2      GLU  49 -10.796  -8.991  -4.220
  372    HG2  GLU  49           HG3      GLU  49 -11.071 -11.214  -5.273
  373    HG3  GLU  49           HG2      GLU  49 -10.525 -11.971  -3.785
  374    H    ASP  50           H        ASP  50  -9.160  -8.116  -6.242
  375    HA   ASP  50           HA       ASP  50 -10.026  -9.734  -8.406
  376    HB2  ASP  50           HB3      ASP  50 -10.216  -7.234  -8.253
  377    HB3  ASP  50           HB2      ASP  50  -8.495  -7.144  -8.620
  378    H    ARG  51           H        ARG  51  -6.745  -8.563  -7.623
  379    HA   ARG  51           HA       ARG  51  -5.634 -10.077  -9.878
  380    HB2  ARG  51           HB3      ARG  51  -4.359  -8.380  -7.723
  381    HB3  ARG  51           HB2      ARG  51  -3.462  -9.162  -9.021
  382    HG2  ARG  51           HG3      ARG  51  -4.895  -7.962 -10.681
  383    HG3  ARG  51           HG2      ARG  51  -5.663  -7.107  -9.344
  384    HD2  ARG  51           HD3      ARG  51  -3.384  -6.293  -8.651
  385    HD3  ARG  51           HD2      ARG  51  -2.740  -7.002 -10.132
  386    HE   ARG  51           HE       ARG  51  -4.974  -5.141 -10.541
  387   HH11  ARG  51          HH11      ARG  51  -4.444  -3.288 -11.723
  388   HH12  ARG  51          HH12      ARG  51  -2.779  -2.903 -12.004
  389   HH21  ARG  51          HH21      ARG  51  -1.577  -5.665 -10.285
  390   HH22  ARG  51          HH22      ARG  51  -1.155  -4.249 -11.190
  391    H    PHE  52           H        PHE  52  -5.241 -10.170  -6.307
  392    HA   PHE  52           HA       PHE  52  -3.682 -12.625  -6.483
  393    HB2  PHE  52           HB3      PHE  52  -4.858 -11.115  -4.141
  394    HB3  PHE  52           HB2      PHE  52  -3.845 -12.546  -3.980
  395    HD1  PHE  52           HD1      PHE  52  -3.926  -8.985  -4.795
  396    HD2  PHE  52           HD2      PHE  52  -1.477 -12.512  -4.720
  397    HE1  PHE  52           HE1      PHE  52  -1.897  -7.580  -5.031
  398    HE2  PHE  52           HE2      PHE  52   0.553 -11.107  -4.956
  399    HZ   PHE  52           HZ       PHE  52   0.344  -8.641  -5.113
  400    H    GLY  53           H        GLY  53  -7.079 -11.874  -6.054
  401    HA2  GLY  53           HA3      GLY  53  -8.895 -13.401  -6.105
  402    HA3  GLY  53           HA2      GLY  53  -7.727 -14.710  -6.287
  403    H    ILE  54           H        ILE  54  -7.501 -12.362  -3.692
  404    HA   ILE  54           HA       ILE  54  -8.034 -14.572  -1.758
  405    HB   ILE  54           HB       ILE  54  -6.596 -11.932  -1.342
  406   HG12  ILE  54          HG13      ILE  54  -5.399 -14.707  -1.492
  407   HG13  ILE  54          HG12      ILE  54  -5.519 -13.656  -2.903
  408   HG21  ILE  54          HG21      ILE  54  -5.833 -13.046   0.758
  409   HG22  ILE  54          HG22      ILE  54  -6.903 -14.400   0.397
  410   HG23  ILE  54          HG23      ILE  54  -7.579 -12.804   0.720
  411   HD11  ILE  54          HD11      ILE  54  -4.159 -12.884  -0.307
  412   HD12  ILE  54          HD12      ILE  54  -4.193 -11.943  -1.798
  413   HD13  ILE  54          HD13      ILE  54  -3.314 -13.471  -1.740
  414    H    ALA  55           H        ALA  55  -9.550 -14.256  -0.099
  415    HA   ALA  55           HA       ALA  55 -11.762 -12.548  -0.629
  416    HB1  ALA  55           HB1      ALA  55 -10.873 -14.019   1.858
  417    HB2  ALA  55           HB2      ALA  55 -12.161 -14.461   0.736
  418    HB3  ALA  55           HB3      ALA  55 -12.363 -13.074   1.808
  419    H    ALA  56           H        ALA  56 -12.449 -10.631   0.470
  420    HA   ALA  56           HA       ALA  56 -10.478  -8.646   0.837
  421    HB1  ALA  56           HB1      ALA  56 -12.907  -8.209   0.445
  422    HB2  ALA  56           HB2      ALA  56 -12.258  -7.279   1.795
  423    HB3  ALA  56           HB3      ALA  56 -13.234  -8.715   2.101
  424    H    ASP  57           H        ASP  57 -11.907 -10.888   3.159
  425    HA   ASP  57           HA       ASP  57 -11.376 -11.308   5.407
  426    HB2  ASP  57           HB3      ASP  57  -8.734 -10.186   4.455
  427    HB3  ASP  57           HB2      ASP  57  -8.968 -11.010   5.992
  428    H    ASP  58           H        ASP  58 -12.796  -8.956   5.046
  429    HA   ASP  58           HA       ASP  58 -11.402  -6.840   6.565
  430    HB2  ASP  58           HB3      ASP  58 -14.145  -6.964   5.303
  431    HB3  ASP  58           HB2      ASP  58 -13.520  -5.559   6.163
  432    H    VAL  59           H        VAL  59 -12.663  -9.599   7.544
  433    HA   VAL  59           HA       VAL  59 -14.732  -9.006   9.376
  434    HB   VAL  59           HB       VAL  59 -12.504 -11.038   9.553
  435   HG11  VAL  59          HG11      VAL  59 -14.068 -12.180  11.173
  436   HG12  VAL  59          HG12      VAL  59 -15.018 -10.695  11.205
  437   HG13  VAL  59          HG13      VAL  59 -13.354 -10.690  11.787
  438   HG21  VAL  59          HG21      VAL  59 -15.411 -11.240   8.709
  439   HG22  VAL  59          HG22      VAL  59 -14.278 -12.589   8.794
  440   HG23  VAL  59          HG23      VAL  59 -14.021 -11.294   7.625
  441    H    GLU  60           H        GLU  60 -11.210  -8.792   9.770
  442    HA   GLU  60           HA       GLU  60 -11.684  -7.321  12.337
  443    HB2  GLU  60           HB3      GLU  60  -9.235  -8.876  11.454
  444    HB3  GLU  60           HB2      GLU  60  -9.409  -8.023  12.984
  445    HG2  GLU  60           HG3      GLU  60 -11.347  -9.450  13.537
  446    HG3  GLU  60           HG2      GLU  60 -11.110 -10.328  12.032
  447    H    LEU  61           H        LEU  61 -10.810  -5.265  12.498
  448    HA   LEU  61           HA       LEU  61  -9.454  -4.232  10.053
  449    HB2  LEU  61           HB3      LEU  61 -10.459  -2.366  12.138
  450    HB3  LEU  61           HB2      LEU  61 -10.519  -2.226  10.387
  451    HG   LEU  61           HG       LEU  61 -12.272  -3.994  12.099
  452   HD11  LEU  61          HD11      LEU  61 -12.497  -1.286  11.090
  453   HD12  LEU  61          HD12      LEU  61 -13.565  -2.155  12.193
  454   HD13  LEU  61          HD13      LEU  61 -13.787  -2.304  10.450
  455   HD21  LEU  61          HD21      LEU  61 -12.436  -5.275  10.236
  456   HD22  LEU  61          HD22      LEU  61 -11.573  -4.089   9.258
  457   HD23  LEU  61          HD23      LEU  61 -13.307  -3.921   9.519
  458    H    SER  62           H        SER  62  -7.408  -3.329  10.235
  459    HA   SER  62           HA       SER  62  -6.286  -3.038  12.981
  460    HB2  SER  62           HB3      SER  62  -4.088  -3.872  11.809
  461    HB3  SER  62           HB2      SER  62  -5.275  -5.048  12.367
  462    HG   SER  62           HG       SER  62  -4.935  -4.014   9.744
  463    HA   PRO  63           HA       PRO  63  -5.742   0.787  10.327
  464    HB2  PRO  63           HB3      PRO  63  -6.089   2.036  12.987
  465    HB3  PRO  63           HB2      PRO  63  -6.884   2.419  11.452
  466    HG2  PRO  63           HG3      PRO  63  -8.158   1.180  13.459
  467    HG3  PRO  63           HG2      PRO  63  -8.524   0.864  11.755
  468    HD2  PRO  63           HD3      PRO  63  -7.013  -0.825  13.702
  469    HD3  PRO  63           HD2      PRO  63  -8.037  -1.315  12.334
  470    H    GLU  64           H        GLU  64  -4.366  -0.262  13.392
  471    HA   GLU  64           HA       GLU  64  -2.176   1.574  13.497
  472    HB2  GLU  64           HB3      GLU  64  -2.435  -1.231  14.583
  473    HB3  GLU  64           HB2      GLU  64  -1.139  -0.121  15.001
  474    HG2  GLU  64           HG3      GLU  64  -2.825   1.491  15.830
  475    HG3  GLU  64           HG2      GLU  64  -4.089   0.320  15.479
  476    H    HIS  65           H        HIS  65  -2.737  -1.345  11.687
  477    HA   HIS  65           HA       HIS  65  -0.009  -1.958  11.030
  478    HB2  HIS  65           HB3      HIS  65  -1.878  -3.559  10.775
  479    HB3  HIS  65           HB2      HIS  65  -2.546  -2.562   9.484
  480    HD1  HIS  65           HD1      HIS  65  -2.096  -3.824   7.377
  481    HD2  HIS  65           HD2      HIS  65   1.236  -3.776   9.887
  482    HE1  HIS  65           HE1      HIS  65  -0.218  -4.942   6.097
  483    HE2  HIS  65           HE2      HIS  65   1.815  -4.917   7.614
  484    H    PHE  66           H        PHE  66  -2.283   0.370   9.729
  485    HA   PHE  66           HA       PHE  66  -0.666   0.783   7.300
  486    HB2  PHE  66           HB3      PHE  66  -3.152   2.147   8.360
  487    HB3  PHE  66           HB2      PHE  66  -2.372   2.576   6.839
  488    HD1  PHE  66           HD1      PHE  66  -4.418   0.103   8.593
  489    HD2  PHE  66           HD2      PHE  66  -2.269   0.948   4.972
  490    HE1  PHE  66           HE1      PHE  66  -5.601  -1.757   7.457
  491    HE2  PHE  66           HE2      PHE  66  -3.451  -0.912   3.835
  492    HZ   PHE  66           HZ       PHE  66  -5.117  -2.264   5.078
  493    H    ARG  67           H        ARG  67  -0.088   1.616  10.374
  494    HA   ARG  67           HA       ARG  67   0.272   4.434  10.365
  495    HB2  ARG  67           HB3      ARG  67   1.856   2.291  11.809
  496    HB3  ARG  67           HB2      ARG  67   1.946   4.013  12.164
  497    HG2  ARG  67           HG3      ARG  67  -0.706   2.617  12.140
  498    HG3  ARG  67           HG2      ARG  67   0.321   2.531  13.569
  499    HD2  ARG  67           HD3      ARG  67   0.434   5.062  13.515
  500    HD3  ARG  67           HD2      ARG  67  -0.798   5.024  12.256
  501    HE   ARG  67           HE       ARG  67  -2.401   4.448  13.900
  502   HH11  ARG  67          HH11      ARG  67  -3.019   4.117  16.048
  503   HH12  ARG  67          HH12      ARG  67  -1.803   3.871  17.258
  504   HH21  ARG  67          HH21      ARG  67   0.841   4.139  15.031
  505   HH22  ARG  67          HH22      ARG  67   0.382   3.884  16.682
  506    H    SER  68           H        SER  68   2.408   1.850   9.170
  507    HA   SER  68           HA       SER  68   4.060   3.998   7.902
  508    HB2  SER  68           HB3      SER  68   6.091   2.759   8.404
  509    HB3  SER  68           HB2      SER  68   5.216   3.050   9.905
  510    HG   SER  68           HG       SER  68   4.297   0.918   9.589
  511    H    ILE  69           H        ILE  69   4.990   3.429   5.878
  512    HA   ILE  69           HA       ILE  69   3.445   1.649   4.255
  513    HB   ILE  69           HB       ILE  69   6.174   2.871   3.752
  514   HG12  ILE  69          HG13      ILE  69   3.449   3.817   2.859
  515   HG13  ILE  69          HG12      ILE  69   4.293   4.468   4.256
  516   HG21  ILE  69          HG21      ILE  69   4.612   2.531   1.411
  517   HG22  ILE  69          HG22      ILE  69   4.610   0.995   2.275
  518   HG23  ILE  69          HG23      ILE  69   6.137   1.748   1.818
  519   HD11  ILE  69          HD11      ILE  69   4.573   5.330   1.618
  520   HD12  ILE  69          HD12      ILE  69   6.019   4.365   1.917
  521   HD13  ILE  69          HD13      ILE  69   5.640   5.733   2.962
  522    H    ARG  70           H        ARG  70   6.592   1.334   5.866
  523    HA   ARG  70           HA       ARG  70   7.397  -1.108   4.646
  524    HB2  ARG  70           HB3      ARG  70   7.974  -0.034   7.422
  525    HB3  ARG  70           HB2      ARG  70   8.817  -1.394   6.682
  526    HG2  ARG  70           HG3      ARG  70   9.481   0.098   4.792
  527    HG3  ARG  70           HG2      ARG  70   8.736   1.452   5.641
  528    HD2  ARG  70           HD3      ARG  70  11.025  -0.254   6.665
  529    HD3  ARG  70           HD2      ARG  70  11.142   1.412   6.099
  530    HE   ARG  70           HE       ARG  70  10.079   0.545   8.690
  531   HH11  ARG  70          HH11      ARG  70   9.547   2.230  10.100
  532   HH12  ARG  70          HH12      ARG  70   9.451   3.850   9.494
  533   HH21  ARG  70          HH21      ARG  70  10.263   2.964   6.241
  534   HH22  ARG  70          HH22      ARG  70   9.856   4.265   7.309
  535    H    SER  71           H        SER  71   5.335  -0.493   7.479
  536    HA   SER  71           HA       SER  71   5.138  -3.181   8.381
  537    HB2  SER  71           HB3      SER  71   2.983  -1.051   8.460
  538    HB3  SER  71           HB2      SER  71   3.095  -2.467   9.497
  539    HG   SER  71           HG       SER  71   5.263  -0.697   9.328
  540    H    ILE  72           H        ILE  72   3.278  -1.404   5.920
  541    HA   ILE  72           HA       ILE  72   1.400  -3.493   5.386
  542    HB   ILE  72           HB       ILE  72   2.434  -1.306   3.561
  543   HG12  ILE  72          HG13      ILE  72  -0.018  -1.377   5.347
  544   HG13  ILE  72          HG12      ILE  72   1.472  -0.517   5.736
  545   HG21  ILE  72          HG21      ILE  72   0.604  -3.491   3.165
  546   HG22  ILE  72          HG22      ILE  72   1.116  -2.257   2.015
  547   HG23  ILE  72          HG23      ILE  72  -0.268  -1.963   3.066
  548   HD11  ILE  72          HD11      ILE  72   0.197   1.171   4.745
  549   HD12  ILE  72          HD12      ILE  72  -0.540   0.069   3.583
  550   HD13  ILE  72          HD13      ILE  72   1.135   0.578   3.375
  551    H    ASP  73           H        ASP  73   4.543  -2.668   3.934
  552    HA   ASP  73           HA       ASP  73   4.507  -4.605   1.856
  553    HB2  ASP  73           HB3      ASP  73   6.182  -2.739   2.136
  554    HB3  ASP  73           HB2      ASP  73   6.947  -3.698   3.403
  555    H    ALA  74           H        ALA  74   5.505  -4.881   5.257
  556    HA   ALA  74           HA       ALA  74   6.611  -7.506   5.061
  557    HB1  ALA  74           HB1      ALA  74   5.157  -6.665   7.536
  558    HB2  ALA  74           HB2      ALA  74   6.574  -5.739   7.042
  559    HB3  ALA  74           HB3      ALA  74   6.720  -7.464   7.375
  560    H    PHE  75           H        PHE  75   3.301  -6.386   5.693
  561    HA   PHE  75           HA       PHE  75   2.180  -8.956   6.235
  562    HB2  PHE  75           HB3      PHE  75   1.032  -6.773   6.657
  563    HB3  PHE  75           HB2      PHE  75   0.815  -6.604   4.917
  564    HD1  PHE  75           HD1      PHE  75  -0.081  -8.636   7.881
  565    HD2  PHE  75           HD2      PHE  75  -0.828  -7.889   3.717
  566    HE1  PHE  75           HE1      PHE  75  -2.113 -10.054   7.992
  567    HE2  PHE  75           HE2      PHE  75  -2.859  -9.307   3.828
  568    HZ   PHE  75           HZ       PHE  75  -3.501 -10.390   5.964
  569    H    VAL  76           H        VAL  76   2.437  -7.118   3.182
  570    HA   VAL  76           HA       VAL  76   1.180  -9.098   1.554
  571    HB   VAL  76           HB       VAL  76   3.187  -6.919   0.924
  572   HG11  VAL  76          HG11      VAL  76   2.373  -7.298  -1.450
  573   HG12  VAL  76          HG12      VAL  76   1.680  -8.817  -0.883
  574   HG13  VAL  76          HG13      VAL  76   3.423  -8.557  -0.804
  575   HG21  VAL  76          HG21      VAL  76   1.072  -6.026   1.641
  576   HG22  VAL  76          HG22      VAL  76   0.180  -7.200   0.674
  577   HG23  VAL  76          HG23      VAL  76   1.092  -5.916  -0.119
  578    H    VAL  77           H        VAL  77   4.612  -8.503   2.346
  579    HA   VAL  77           HA       VAL  77   5.711 -10.532   0.692
  580    HB   VAL  77           HB       VAL  77   6.643  -9.359   3.323
  581   HG11  VAL  77          HG11      VAL  77   8.006 -11.176   3.354
  582   HG12  VAL  77          HG12      VAL  77   8.878 -10.316   2.085
  583   HG13  VAL  77          HG13      VAL  77   7.698 -11.554   1.660
  584   HG21  VAL  77          HG21      VAL  77   7.277  -7.630   2.027
  585   HG22  VAL  77          HG22      VAL  77   6.616  -8.437   0.606
  586   HG23  VAL  77          HG23      VAL  77   8.289  -8.723   1.084
  587    H    GLY  78           H        GLY  78   4.478 -10.638   4.018
  588    HA2  GLY  78           HA3      GLY  78   5.252 -13.293   4.639
  589    HA3  GLY  78           HA2      GLY  78   3.879 -12.458   5.361
  590    H    ALA  79           H        ALA  79   2.511 -12.089   2.752
  591    HA   ALA  79           HA       ALA  79   1.511 -14.881   2.505
  592    HB1  ALA  79           HB1      ALA  79   0.236 -12.227   1.806
  593    HB2  ALA  79           HB2      ALA  79  -0.191 -13.284   3.153
  594    HB3  ALA  79           HB3      ALA  79  -0.509 -13.796   1.496
  595    H    THR  80           H        THR  80   2.211 -12.055   0.425
  596    HA   THR  80           HA       THR  80   2.891 -13.998  -1.745
  597    HB   THR  80           HB       THR  80   1.747 -12.691  -3.374
  598    HG1  THR  80           HG1      THR  80   0.649 -10.707  -2.452
  599   HG21  THR  80          HG21      THR  80  -0.477 -12.956  -2.710
  600   HG22  THR  80          HG22      THR  80  -0.149 -12.431  -1.059
  601   HG23  THR  80          HG23      THR  80   0.367 -14.031  -1.594
  602    H    THR  81           H        THR  81   4.439 -13.141  -3.314
  603    HA   THR  81           HA       THR  81   5.912 -10.725  -2.401
  604    HB   THR  81           HB       THR  81   7.263 -12.410  -1.465
  605    HG1  THR  81           HG1      THR  81   8.673 -12.649  -3.735
  606   HG21  THR  81          HG21      THR  81   7.893 -14.444  -2.936
  607   HG22  THR  81          HG22      THR  81   6.516 -13.972  -3.933
  608   HG23  THR  81          HG23      THR  81   6.271 -14.404  -2.240
  609    HA   PRO  82           HA       PRO  82   5.312 -10.667  -6.956
  610    HB2  PRO  82           HB3      PRO  82   4.461  -8.102  -7.153
  611    HB3  PRO  82           HB2      PRO  82   3.381  -9.429  -6.688
  612    HG2  PRO  82           HG3      PRO  82   4.622  -7.327  -5.014
  613    HG3  PRO  82           HG2      PRO  82   3.061  -8.142  -4.838
  614    HD2  PRO  82           HD3      PRO  82   5.399  -8.741  -3.391
  615    HD3  PRO  82           HD2      PRO  82   3.950  -9.762  -3.495
  616    HA   PRO  83           HA       PRO  83   9.155  -8.808  -8.108
  617    HB2  PRO  83           HB3      PRO  83   8.465  -7.655 -10.541
  618    HB3  PRO  83           HB2      PRO  83   8.875  -9.363 -10.307
  619    HG2  PRO  83           HG3      PRO  83   6.216  -8.071 -10.565
  620    HG3  PRO  83           HG2      PRO  83   6.768  -9.653 -11.139
  621    HD2  PRO  83           HD3      PRO  83   5.197  -9.369  -8.933
  622    HD3  PRO  83           HD2      PRO  83   6.387 -10.680  -9.095
  623    H    VAL  84           H        VAL  84  10.252  -6.772  -8.139
  624    HA   VAL  84           HA       VAL  84   8.498  -4.375  -7.760
  625    HB   VAL  84           HB       VAL  84   9.482  -5.176  -5.610
  626   HG11  VAL  84          HG11      VAL  84  12.126  -4.485  -6.923
  627   HG12  VAL  84          HG12      VAL  84  11.550  -6.131  -6.661
  628   HG13  VAL  84          HG13      VAL  84  11.890  -5.084  -5.282
  629   HG21  VAL  84          HG21      VAL  84   9.712  -2.553  -6.800
  630   HG22  VAL  84          HG22      VAL  84  11.033  -2.812  -5.661
  631   HG23  VAL  84          HG23      VAL  84   9.361  -2.978  -5.126
  632    H    GLU  85           H        GLU  85   9.149  -2.544  -8.843
  633    HA   GLU  85           HA       GLU  85  11.666  -2.745 -10.438
  634    HB2  GLU  85           HB3      GLU  85   9.546  -2.770 -11.781
  635    HB3  GLU  85           HB2      GLU  85   9.161  -1.179 -11.123
  636    HG2  GLU  85           HG3      GLU  85  11.313  -0.316 -12.043
  637    HG3  GLU  85           HG2      GLU  85  11.597  -1.892 -12.782
  638    H    ALA  86           H        ALA  86  13.051  -0.948 -10.379
  639    HA   ALA  86           HA       ALA  86  12.951   0.752  -8.098
  640    HB1  ALA  86           HB1      ALA  86  14.869   1.807  -8.975
  641    HB2  ALA  86           HB2      ALA  86  14.369   1.528 -10.643
  642    HB3  ALA  86           HB3      ALA  86  14.951   0.183  -9.660
  643    H    LYS  87           H        LYS  87  12.048   2.770  -7.782
  644    HA   LYS  87           HA       LYS  87   9.892   3.631  -9.427
  645    HB2  LYS  87           HB3      LYS  87  11.539   5.190  -7.414
  646    HB3  LYS  87           HB2      LYS  87  10.014   5.745  -8.105
  647    HG2  LYS  87           HG3      LYS  87   8.910   3.685  -7.220
  648    HG3  LYS  87           HG2      LYS  87  10.428   3.249  -6.436
  649    HD2  LYS  87           HD3      LYS  87  10.372   5.420  -5.204
  650    HD3  LYS  87           HD2      LYS  87   8.793   5.749  -5.919
  651    HE2  LYS  87           HE3      LYS  87   7.950   4.682  -4.105
  652    HE3  LYS  87           HE2      LYS  87   8.462   3.202  -4.915
  653    HZ1  LYS  87           HZ1      LYS  87  10.084   4.783  -2.993
  654    HZ2  LYS  87           HZ2      LYS  87  10.597   3.372  -3.788
  655    HZ3  LYS  87           HZ3      LYS  87   9.323   3.302  -2.668
  656    H    LEU  88           H        LEU  88  13.314   4.508  -9.408
  657    HA   LEU  88           HA       LEU  88  13.203   6.787 -11.087
  658    HB2  LEU  88           HB3      LEU  88  15.255   5.964  -9.910
  659    HB3  LEU  88           HB2      LEU  88  15.350   4.644 -11.074
  660    HG   LEU  88           HG       LEU  88  15.410   6.369 -12.913
  661   HD11  LEU  88          HD11      LEU  88  16.400   8.594 -11.558
  662   HD12  LEU  88          HD12      LEU  88  15.004   8.107 -10.600
  663   HD13  LEU  88          HD13      LEU  88  14.813   8.465 -12.315
  664   HD21  LEU  88          HD21      LEU  88  17.758   6.809 -12.648
  665   HD22  LEU  88          HD22      LEU  88  17.447   5.255 -11.874
  666   HD23  LEU  88          HD23      LEU  88  17.640   6.707 -10.891
  667    H    GLN  89           H        GLN  89  13.187   3.333 -11.886
  668    HA   GLN  89           HA       GLN  89  12.930   4.041 -14.770
  669    HB2  GLN  89           HB3      GLN  89  14.632   2.330 -14.102
  670    HB3  GLN  89           HB2      GLN  89  13.321   1.315 -13.499
  671    HG2  GLN  89           HG3      GLN  89  12.311   1.261 -15.740
  672    HG3  GLN  89           HG2      GLN  89  13.595   2.303 -16.353
  673   HE21  GLN  89          HE21      GLN  89  13.398  -0.125 -17.618
  674   HE22  GLN  89          HE22      GLN  89  14.639  -1.173 -17.124
  675    H3   7V9 101          1H1       NIA 101 -11.119   1.722   6.547
  676    H4   7V9 101          2H1       NIA 101 -12.497   0.915   7.292
  677    H5   7V9 101          1HE1      NIA 101 -11.250   1.847  10.288
  678    H6   7V9 101          2HE1      NIA 101 -10.819   0.148  10.488
  679    H7   7V9 101          3HE1      NIA 101 -12.374   0.587   9.781
  680    H8   7V9 101          2HE2      NIA 101  -8.879   1.418   9.456
  681    H9   7V9 101          3HE2      NIA 101  -9.545   2.665   8.401
  682    H10  7V9 101          1HE2      NIA 101  -8.732   1.263   7.704
  683    H11  7V9 101          3H        NIA 101 -10.433  -0.622   6.932
  684    H12  7V9 101          3HO       NIA 101 -11.557  -2.193   7.945
  685    H13  7V9 101          5H        NIA 101  -7.500  -1.595   7.562
  686    H14  7V9 101          1H6       NIA 101  -9.828  -3.423   7.955
  687    H15  7V9 101          2H6       NIA 101  -9.098  -3.249   6.363
  688    H16  7V9 101          1H7       NIA 101  -8.347  -5.114   8.257
  689    H17  7V9 101          2H7       NIA 101  -7.145  -3.842   8.475
  690    H18  7V9 101          9H        NIA 101  -6.589  -2.910   5.978
  691    H19  7V9 101          1H10      NIA 101  -7.329  -4.886   3.930
  692    H20  7V9 101          2H10      NIA 101  -6.655  -3.284   3.629
  693    H21  7V9 101          1H11      NIA 101  -5.269  -5.870   4.071
  694    H22  7V9 101          2H11      NIA 101  -4.542  -4.469   4.858
  695    H25  7V9 101          5H1       NIA 101  -1.020  -5.335   2.452
  696    H26  7V9 101          7H1       NIA 101  -0.324  -3.443  -1.225
  697    H27  7V9 101          8H1       NIA 101  -2.704  -3.726  -1.865
  698    H28  7V9 101          9H1       NIA 101  -4.152  -5.196  -0.460
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1  12.504  -0.860  -0.713
    2    H2   MET   1           H2       MET   1  10.888  -0.903  -0.188
    3    H3   MET   1           H3       MET   1  11.267  -1.250  -1.807
    4    HA   MET   1           HA       MET   1  12.721  -2.954  -0.072
    5    HB2  MET   1           HB3      MET   1   9.693  -2.997   0.145
    6    HB3  MET   1           HB2      MET   1  10.785  -4.216   0.802
    7    HG2  MET   1           HG3      MET   1  10.732  -1.284   1.583
    8    HG3  MET   1           HG2      MET   1  10.114  -2.619   2.553
    9    HE1  MET   1           HE1      MET   1  12.680  -4.935   1.997
   10    HE2  MET   1           HE2      MET   1  11.291  -4.595   3.027
   11    HE3  MET   1           HE3      MET   1  12.910  -4.625   3.724
   12    H    GLN   2           H        GLN   2  10.819  -5.144  -0.700
   13    HA   GLN   2           HA       GLN   2  11.798  -5.857  -3.274
   14    HB2  GLN   2           HB3      GLN   2   9.365  -6.867  -1.768
   15    HB3  GLN   2           HB2      GLN   2  10.046  -7.639  -3.201
   16    HG2  GLN   2           HG3      GLN   2  12.183  -7.964  -2.035
   17    HG3  GLN   2           HG2      GLN   2  11.540  -7.152  -0.607
   18   HE21  GLN   2          HE21      GLN   2  12.448  -9.849  -0.438
   19   HE22  GLN   2          HE22      GLN   2  11.110 -10.858  -0.174
   20    H    HIS   3           H        HIS   3   8.808  -4.244  -2.276
   21    HA   HIS   3           HA       HIS   3   8.433  -3.300  -5.037
   22    HB2  HIS   3           HB3      HIS   3   7.092  -5.623  -4.200
   23    HB3  HIS   3           HB2      HIS   3   5.894  -4.334  -4.083
   24    HD1  HIS   3           HD1      HIS   3   8.704  -4.659  -6.633
   25    HD2  HIS   3           HD2      HIS   3   4.534  -4.637  -6.494
   26    HE1  HIS   3           HE1      HIS   3   7.904  -4.680  -9.038
   27    HE2  HIS   3           HE2      HIS   3   5.370  -4.667  -8.964
   28    H    ALA   4           H        ALA   4   8.915  -2.191  -2.298
   29    HA   ALA   4           HA       ALA   4   6.539  -0.997  -1.267
   30    HB1  ALA   4           HB1      ALA   4   8.304   0.820  -0.508
   31    HB2  ALA   4           HB2      ALA   4   9.466  -0.370  -1.094
   32    HB3  ALA   4           HB3      ALA   4   8.339  -0.798   0.193
   33    H    SER   5           H        SER   5   8.700  -0.047  -3.898
   34    HA   SER   5           HA       SER   5   7.735   2.615  -4.242
   35    HB2  SER   5           HB3      SER   5   8.691   2.500  -6.464
   36    HB3  SER   5           HB2      SER   5   9.758   1.623  -5.372
   37    HG   SER   5           HG       SER   5   9.446  -0.013  -6.640
   38    H    VAL   6           H        VAL   6   6.521  -0.499  -5.404
   39    HA   VAL   6           HA       VAL   6   4.502   0.611  -7.137
   40    HB   VAL   6           HB       VAL   6   4.670  -2.064  -5.736
   41   HG11  VAL   6          HG11      VAL   6   2.355  -1.673  -6.246
   42   HG12  VAL   6          HG12      VAL   6   2.980  -2.729  -7.512
   43   HG13  VAL   6          HG13      VAL   6   2.756  -1.008  -7.829
   44   HG21  VAL   6          HG21      VAL   6   4.988  -2.530  -8.397
   45   HG22  VAL   6          HG22      VAL   6   6.335  -2.264  -7.292
   46   HG23  VAL   6          HG23      VAL   6   5.720  -0.931  -8.267
   47    H    ILE   7           H        ILE   7   4.571  -0.300  -3.722
   48    HA   ILE   7           HA       ILE   7   1.791  -0.014  -3.196
   49    HB   ILE   7           HB       ILE   7   4.142   0.575  -1.372
   50   HG12  ILE   7          HG13      ILE   7   2.496  -1.955  -1.698
   51   HG13  ILE   7          HG12      ILE   7   4.098  -1.718  -2.395
   52   HG21  ILE   7          HG21      ILE   7   2.113   1.506  -0.440
   53   HG22  ILE   7          HG22      ILE   7   2.452   0.001   0.414
   54   HG23  ILE   7          HG23      ILE   7   1.205   0.046  -0.833
   55   HD11  ILE   7          HD11      ILE   7   3.358  -2.389   0.346
   56   HD12  ILE   7          HD12      ILE   7   4.420  -0.983   0.273
   57   HD13  ILE   7          HD13      ILE   7   4.926  -2.509  -0.451
   58    H    ALA   8           H        ALA   8   4.440   2.359  -2.856
   59    HA   ALA   8           HA       ALA   8   2.740   4.563  -2.160
   60    HB1  ALA   8           HB1      ALA   8   5.141   5.295  -3.667
   61    HB2  ALA   8           HB2      ALA   8   5.476   4.156  -2.363
   62    HB3  ALA   8           HB3      ALA   8   4.694   5.697  -2.010
   63    H    GLN   9           H        GLN   9   4.147   3.540  -5.261
   64    HA   GLN   9           HA       GLN   9   2.966   5.606  -6.846
   65    HB2  GLN   9           HB3      GLN   9   4.813   4.113  -7.613
   66    HB3  GLN   9           HB2      GLN   9   3.672   2.771  -7.667
   67    HG2  GLN   9           HG3      GLN   9   2.386   4.764  -9.113
   68    HG3  GLN   9           HG2      GLN   9   4.076   4.937  -9.586
   69   HE21  GLN   9          HE21      GLN   9   1.664   2.299  -9.067
   70   HE22  GLN   9          HE22      GLN   9   2.198   1.358 -10.376
   71    H    PHE  10           H        PHE  10   1.886   2.329  -6.048
   72    HA   PHE  10           HA       PHE  10  -0.535   2.403  -7.573
   73    HB2  PHE  10           HB3      PHE  10   0.529   0.333  -6.650
   74    HB3  PHE  10           HB2      PHE  10   0.038   0.845  -5.037
   75    HD1  PHE  10           HD1      PHE  10  -1.190  -0.208  -8.373
   76    HD2  PHE  10           HD2      PHE  10  -2.233   0.640  -4.294
   77    HE1  PHE  10           HE1      PHE  10  -3.425  -1.219  -8.735
   78    HE2  PHE  10           HE2      PHE  10  -4.469  -0.369  -4.656
   79    HZ   PHE  10           HZ       PHE  10  -5.064  -1.301  -6.876
   80    H    VAL  11           H        VAL  11   0.136   3.084  -4.151
   81    HA   VAL  11           HA       VAL  11  -2.583   3.786  -3.500
   82    HB   VAL  11           HB       VAL  11   0.034   4.508  -2.151
   83   HG11  VAL  11          HG11      VAL  11  -2.854   4.827  -1.331
   84   HG12  VAL  11          HG12      VAL  11  -1.591   6.056  -1.361
   85   HG13  VAL  11          HG13      VAL  11  -1.548   4.776  -0.148
   86   HG21  VAL  11          HG21      VAL  11  -0.238   2.570  -0.862
   87   HG22  VAL  11          HG22      VAL  11  -0.787   2.032  -2.450
   88   HG23  VAL  11          HG23      VAL  11  -1.965   2.465  -1.210
   89    H    VAL  12           H        VAL  12   0.303   5.759  -4.215
   90    HA   VAL  12           HA       VAL  12  -0.991   8.291  -3.960
   91    HB   VAL  12           HB       VAL  12   1.442   7.435  -5.517
   92   HG11  VAL  12          HG11      VAL  12   0.241  10.168  -5.042
   93   HG12  VAL  12          HG12      VAL  12   0.692   9.437  -6.582
   94   HG13  VAL  12          HG13      VAL  12   1.943   9.944  -5.447
   95   HG21  VAL  12          HG21      VAL  12   0.925   7.845  -2.762
   96   HG22  VAL  12          HG22      VAL  12   1.879   9.226  -3.303
   97   HG23  VAL  12          HG23      VAL  12   2.492   7.588  -3.529
   98    H    GLU  13           H        GLU  13  -0.673   6.091  -6.701
   99    HA   GLU  13           HA       GLU  13  -1.414   7.790  -8.804
  100    HB2  GLU  13           HB3      GLU  13  -0.765   5.390  -9.052
  101    HB3  GLU  13           HB2      GLU  13  -2.350   4.941  -8.436
  102    HG2  GLU  13           HG3      GLU  13  -3.386   6.250 -10.304
  103    HG3  GLU  13           HG2      GLU  13  -1.765   6.504 -10.950
  104    H    GLU  14           H        GLU  14  -3.471   6.247  -6.380
  105    HA   GLU  14           HA       GLU  14  -5.969   6.949  -7.610
  106    HB2  GLU  14           HB3      GLU  14  -5.277   6.385  -4.716
  107    HB3  GLU  14           HB2      GLU  14  -6.921   6.524  -5.340
  108    HG2  GLU  14           HG3      GLU  14  -6.452   4.673  -6.930
  109    HG3  GLU  14           HG2      GLU  14  -4.840   4.506  -6.232
  110    H    PHE  15           H        PHE  15  -3.852   8.673  -5.347
  111    HA   PHE  15           HA       PHE  15  -5.848  10.844  -5.105
  112    HB2  PHE  15           HB3      PHE  15  -3.074  10.642  -3.904
  113    HB3  PHE  15           HB2      PHE  15  -4.328  11.800  -3.460
  114    HD1  PHE  15           HD1      PHE  15  -6.365  11.060  -2.268
  115    HD2  PHE  15           HD2      PHE  15  -3.188   8.339  -3.220
  116    HE1  PHE  15           HE1      PHE  15  -7.310   9.402  -0.683
  117    HE2  PHE  15           HE2      PHE  15  -4.127   6.680  -1.643
  118    HZ   PHE  15           HZ       PHE  15  -6.190   7.210  -0.368
  119    H    LEU  16           H        LEU  16  -2.333  10.813  -5.841
  120    HA   LEU  16           HA       LEU  16  -2.877  12.984  -7.833
  121    HB2  LEU  16           HB3      LEU  16  -1.001  12.850  -5.566
  122    HB3  LEU  16           HB2      LEU  16  -0.271  13.386  -7.079
  123    HG   LEU  16           HG       LEU  16  -2.821  14.552  -5.929
  124   HD11  LEU  16          HD11      LEU  16  -0.981  15.083  -4.434
  125   HD12  LEU  16          HD12      LEU  16  -1.357  16.518  -5.388
  126   HD13  LEU  16          HD13      LEU  16   0.046  15.531  -5.795
  127   HD21  LEU  16          HD21      LEU  16  -1.486  14.734  -8.475
  128   HD22  LEU  16          HD22      LEU  16  -1.438  16.307  -7.680
  129   HD23  LEU  16          HD23      LEU  16  -2.985  15.508  -7.963
  130    HA   PRO  17           HA       PRO  17  -0.637   9.604 -10.005
  131    HB2  PRO  17           HB3      PRO  17  -2.335   9.406 -12.120
  132    HB3  PRO  17           HB2      PRO  17  -2.612   8.569 -10.584
  133    HG2  PRO  17           HG3      PRO  17  -3.937  10.953 -11.690
  134    HG3  PRO  17           HG2      PRO  17  -4.556   9.719 -10.585
  135    HD2  PRO  17           HD3      PRO  17  -3.648  12.301  -9.872
  136    HD3  PRO  17           HD2      PRO  17  -4.006  10.963  -8.761
  137    H    ASP  18           H        ASP  18  -1.771  12.759 -10.990
  138    HA   ASP  18           HA       ASP  18  -0.300  12.823 -13.500
  139    HB2  ASP  18           HB3      ASP  18  -1.553  14.993 -11.810
  140    HB3  ASP  18           HB2      ASP  18  -0.814  15.278 -13.381
  141    H    VAL  19           H        VAL  19   0.649  12.835 -10.324
  142    HA   VAL  19           HA       VAL  19   3.084  14.474 -10.903
  143    HB   VAL  19           HB       VAL  19   1.930  13.695  -8.204
  144   HG11  VAL  19          HG11      VAL  19   3.603  15.927  -7.989
  145   HG12  VAL  19          HG12      VAL  19   4.453  14.845  -9.091
  146   HG13  VAL  19          HG13      VAL  19   3.987  14.281  -7.486
  147   HG21  VAL  19          HG21      VAL  19   1.965  16.532  -8.909
  148   HG22  VAL  19          HG22      VAL  19   0.644  15.556  -8.265
  149   HG23  VAL  19          HG23      VAL  19   0.950  15.589 -10.001
  150    H    ALA  20           H        ALA  20   5.102  13.451 -10.616
  151    HA   ALA  20           HA       ALA  20   5.184  10.626 -10.862
  152    HB1  ALA  20           HB1      ALA  20   7.570  11.893  -9.669
  153    HB2  ALA  20           HB2      ALA  20   7.012  12.628 -11.171
  154    HB3  ALA  20           HB3      ALA  20   7.429  10.915 -11.128
  155    HA   PRO  21           HA       PRO  21   4.328   9.907  -6.470
  156    HB2  PRO  21           HB3      PRO  21   4.601   7.156  -6.538
  157    HB3  PRO  21           HB2      PRO  21   3.113   8.038  -6.929
  158    HG2  PRO  21           HG3      PRO  21   5.099   6.794  -8.726
  159    HG3  PRO  21           HG2      PRO  21   3.352   7.000  -8.928
  160    HD2  PRO  21           HD3      PRO  21   5.242   8.538 -10.201
  161    HD3  PRO  21           HD2      PRO  21   3.579   9.080  -9.881
  162    H    ALA  22           H        ALA  22   7.138   8.773  -8.211
  163    HA   ALA  22           HA       ALA  22   8.641   7.895  -5.902
  164    HB1  ALA  22           HB1      ALA  22   9.000   7.767  -8.641
  165    HB2  ALA  22           HB2      ALA  22  10.212   7.330  -7.437
  166    HB3  ALA  22           HB3      ALA  22  10.217   8.945  -8.147
  167    H    ASP  23           H        ASP  23   7.748  10.964  -7.096
  168    HA   ASP  23           HA       ASP  23  10.052  12.393  -5.967
  169    HB2  ASP  23           HB3      ASP  23   7.423  13.357  -7.135
  170    HB3  ASP  23           HB2      ASP  23   8.705  14.429  -6.571
  171    H    VAL  24           H        VAL  24   7.553  10.815  -4.606
  172    HA   VAL  24           HA       VAL  24   7.050  12.865  -2.506
  173    HB   VAL  24           HB       VAL  24   5.710  10.175  -2.940
  174   HG11  VAL  24          HG11      VAL  24   5.371  12.432  -0.994
  175   HG12  VAL  24          HG12      VAL  24   5.284  10.693  -0.714
  176   HG13  VAL  24          HG13      VAL  24   3.945  11.527  -1.504
  177   HG21  VAL  24          HG21      VAL  24   5.125  11.531  -4.812
  178   HG22  VAL  24          HG22      VAL  24   5.008  12.983  -3.819
  179   HG23  VAL  24          HG23      VAL  24   3.788  11.717  -3.676
  180    H    ASP  25           H        ASP  25   7.848  12.559  -0.441
  181    HA   ASP  25           HA       ASP  25   9.970  10.655  -0.060
  182    HB2  ASP  25           HB3      ASP  25   8.442  12.361   1.927
  183    HB3  ASP  25           HB2      ASP  25   9.893  11.440   2.317
  184    H    VAL  26           H        VAL  26   8.994   8.589  -0.484
  185    HA   VAL  26           HA       VAL  26   6.667   7.619   0.881
  186    HB   VAL  26           HB       VAL  26   7.384   5.408   0.148
  187   HG11  VAL  26          HG11      VAL  26   7.561   5.829  -2.223
  188   HG12  VAL  26          HG12      VAL  26   8.223   7.438  -1.939
  189   HG13  VAL  26          HG13      VAL  26   6.542   7.093  -1.537
  190   HG21  VAL  26          HG21      VAL  26   9.672   5.294  -1.029
  191   HG22  VAL  26          HG22      VAL  26   9.690   5.350   0.733
  192   HG23  VAL  26          HG23      VAL  26  10.044   6.805  -0.199
  193    H    ASP  27           H        ASP  27   9.540   8.558   2.219
  194    HA   ASP  27           HA       ASP  27   9.705   6.402   4.221
  195    HB2  ASP  27           HB3      ASP  27  11.618   7.646   5.080
  196    HB3  ASP  27           HB2      ASP  27  11.768   7.494   3.334
  197    H    LEU  28           H        LEU  28   7.587   8.757   3.753
  198    HA   LEU  28           HA       LEU  28   7.509   9.787   6.537
  199    HB2  LEU  28           HB3      LEU  28   7.192  11.366   4.635
  200    HB3  LEU  28           HB2      LEU  28   5.753  10.466   4.160
  201    HG   LEU  28           HG       LEU  28   5.401  10.964   6.893
  202   HD11  LEU  28          HD11      LEU  28   7.246  12.609   6.770
  203   HD12  LEU  28          HD12      LEU  28   5.698  13.396   7.085
  204   HD13  LEU  28          HD13      LEU  28   6.400  13.447   5.468
  205   HD21  LEU  28          HD21      LEU  28   3.618  10.974   5.244
  206   HD22  LEU  28          HD22      LEU  28   4.330  12.365   4.424
  207   HD23  LEU  28          HD23      LEU  28   3.643  12.549   6.038
  208    H    ASP  29           H        ASP  29   5.837   9.251   7.952
  209    HA   ASP  29           HA       ASP  29   4.507   6.759   7.581
  210    HB2  ASP  29           HB3      ASP  29   3.859   9.082   9.425
  211    HB3  ASP  29           HB2      ASP  29   3.096   7.496   9.531
  212    H    LEU  30           H        LEU  30   2.826   6.340   6.234
  213    HA   LEU  30           HA       LEU  30   1.512   8.442   4.784
  214    HB2  LEU  30           HB3      LEU  30   0.188   6.690   3.775
  215    HB3  LEU  30           HB2      LEU  30   1.835   6.086   3.956
  216    HG   LEU  30           HG       LEU  30   0.613   5.429   6.375
  217   HD11  LEU  30          HD11      LEU  30  -1.491   4.455   5.896
  218   HD12  LEU  30          HD12      LEU  30  -1.238   4.561   4.154
  219   HD13  LEU  30          HD13      LEU  30  -1.552   6.021   5.089
  220   HD21  LEU  30          HD21      LEU  30   0.911   3.706   3.896
  221   HD22  LEU  30          HD22      LEU  30   0.850   3.137   5.564
  222   HD23  LEU  30          HD23      LEU  30   2.221   4.096   5.009
  223    H    VAL  31           H        VAL  31   1.169   7.771   7.951
  224    HA   VAL  31           HA       VAL  31  -1.571   7.445   8.465
  225    HB   VAL  31           HB       VAL  31   0.360   7.700  10.155
  226   HG11  VAL  31          HG11      VAL  31  -0.420  10.618  10.001
  227   HG12  VAL  31          HG12      VAL  31   0.993   9.974   9.165
  228   HG13  VAL  31          HG13      VAL  31   0.897   9.894  10.924
  229   HG21  VAL  31          HG21      VAL  31  -1.897   7.408  10.949
  230   HG22  VAL  31          HG22      VAL  31  -2.317   9.069  10.532
  231   HG23  VAL  31          HG23      VAL  31  -1.202   8.749  11.860
  232    H    ASP  32           H        ASP  32   0.199  10.354   7.498
  233    HA   ASP  32           HA       ASP  32  -1.937  12.223   7.761
  234    HB2  ASP  32           HB3      ASP  32   0.338  12.108   5.751
  235    HB3  ASP  32           HB2      ASP  32  -0.731  13.496   5.955
  236    H    ASN  33           H        ASN  33  -1.095   9.878   5.288
  237    HA   ASN  33           HA       ASN  33  -3.290  10.695   3.521
  238    HB2  ASN  33           HB3      ASN  33  -1.457   8.292   3.398
  239    HB3  ASN  33           HB2      ASN  33  -2.545   8.821   2.118
  240   HD21  ASN  33          HD21      ASN  33   0.629   9.135   3.304
  241   HD22  ASN  33          HD22      ASN  33   1.083  10.510   2.419
  242    H    GLY  34           H        GLY  34  -3.501   9.507   6.389
  243    HA2  GLY  34           HA3      GLY  34  -4.594   6.979   6.511
  244    HA3  GLY  34           HA2      GLY  34  -5.243   8.324   7.452
  245    H    VAL  35           H        VAL  35  -5.746   9.577   4.621
  246    HA   VAL  35           HA       VAL  35  -8.521   9.155   4.490
  247    HB   VAL  35           HB       VAL  35  -6.545   9.817   2.287
  248   HG11  VAL  35          HG11      VAL  35  -9.574   9.809   2.276
  249   HG12  VAL  35          HG12      VAL  35  -8.500   8.907   1.207
  250   HG13  VAL  35          HG13      VAL  35  -8.600  10.663   1.080
  251   HG21  VAL  35          HG21      VAL  35  -7.171  11.319   4.417
  252   HG22  VAL  35          HG22      VAL  35  -8.553  11.727   3.400
  253   HG23  VAL  35          HG23      VAL  35  -6.914  12.031   2.824
  254    H    ILE  36           H        ILE  36  -5.891   7.302   3.024
  255    HA   ILE  36           HA       ILE  36  -7.582   5.581   1.445
  256    HB   ILE  36           HB       ILE  36  -4.977   6.002   1.356
  257   HG12  ILE  36          HG13      ILE  36  -6.448   3.408   0.864
  258   HG13  ILE  36          HG12      ILE  36  -5.963   4.632  -0.311
  259   HG21  ILE  36          HG21      ILE  36  -3.651   4.511   2.614
  260   HG22  ILE  36          HG22      ILE  36  -5.022   3.463   2.985
  261   HG23  ILE  36          HG23      ILE  36  -4.873   5.034   3.773
  262   HD11  ILE  36          HD11      ILE  36  -4.358   2.458   0.931
  263   HD12  ILE  36          HD12      ILE  36  -3.535   3.994   0.669
  264   HD13  ILE  36          HD13      ILE  36  -4.261   3.141  -0.691
  265    H    ASP  37           H        ASP  37  -6.695   5.652   4.790
  266    HA   ASP  37           HA       ASP  37  -6.878   2.946   5.510
  267    HB2  ASP  37           HB3      ASP  37  -7.803   5.370   7.072
  268    HB3  ASP  37           HB2      ASP  37  -7.573   3.761   7.751
  269    H    SER  38           H        SER  38  -9.511   5.201   4.783
  270    HA   SER  38           HA       SER  38 -11.420   2.968   5.363
  271    HB2  SER  38          2HB       SER  38 -11.398   5.585   6.342
  272    HB3  SER  38          1HB       SER  38 -12.667   5.571   5.121
  273    H    LEU  39           H        LEU  39 -11.451   5.919   3.321
  274    HA   LEU  39           HA       LEU  39 -13.274   4.787   1.446
  275    HB2  LEU  39           HB3      LEU  39 -12.930   7.207   1.682
  276    HB3  LEU  39           HB2      LEU  39 -11.305   7.029   1.028
  277    HG   LEU  39           HG       LEU  39 -12.239   6.143  -1.065
  278   HD11  LEU  39          HD11      LEU  39 -14.765   6.319   0.527
  279   HD12  LEU  39          HD12      LEU  39 -14.243   5.073  -0.608
  280   HD13  LEU  39          HD13      LEU  39 -14.852   6.615  -1.210
  281   HD21  LEU  39          HD21      LEU  39 -13.869   8.584  -0.603
  282   HD22  LEU  39          HD22      LEU  39 -12.734   8.223  -1.904
  283   HD23  LEU  39          HD23      LEU  39 -12.135   8.714  -0.319
  284    H    GLY  40           H        GLY  40  -9.762   5.294   1.180
  285    HA2  GLY  40           HA3      GLY  40  -9.559   3.904  -1.332
  286    HA3  GLY  40           HA2      GLY  40  -8.213   4.296  -0.272
  287    H    LEU  41           H        LEU  41  -9.268   2.910   2.046
  288    HA   LEU  41           HA       LEU  41  -8.148   0.342   1.627
  289    HB2  LEU  41           HB3      LEU  41  -8.554   1.458   3.869
  290    HB3  LEU  41           HB2      LEU  41 -10.250   1.005   3.699
  291    HG   LEU  41           HG       LEU  41  -9.375  -1.389   3.289
  292   HD11  LEU  41          HD11      LEU  41  -7.065  -0.992   4.976
  293   HD12  LEU  41          HD12      LEU  41  -6.908  -0.039   3.502
  294   HD13  LEU  41          HD13      LEU  41  -7.166  -1.779   3.403
  295   HD21  LEU  41          HD21      LEU  41 -10.278  -1.555   5.348
  296   HD22  LEU  41          HD22      LEU  41  -9.834   0.106   5.732
  297   HD23  LEU  41          HD23      LEU  41  -8.684  -1.199   6.009
  298    H    LEU  42           H        LEU  42 -11.543   1.411   1.528
  299    HA   LEU  42           HA       LEU  42 -12.665  -1.188   1.116
  300    HB2  LEU  42           HB3      LEU  42 -13.619   1.556   0.267
  301    HB3  LEU  42           HB2      LEU  42 -14.579   0.099   0.082
  302    HG   LEU  42           HG       LEU  42 -13.467   1.113   2.710
  303   HD11  LEU  42          HD11      LEU  42 -15.892   1.750   1.195
  304   HD12  LEU  42          HD12      LEU  42 -15.206   2.563   2.602
  305   HD13  LEU  42          HD13      LEU  42 -16.240   1.150   2.817
  306   HD21  LEU  42          HD21      LEU  42 -15.503  -0.614   3.270
  307   HD22  LEU  42          HD22      LEU  42 -13.803  -1.083   3.213
  308   HD23  LEU  42          HD23      LEU  42 -14.837  -1.342   1.810
  309    H    LYS  43           H        LYS  43 -11.517   1.307  -1.159
  310    HA   LYS  43           HA       LYS  43 -12.158  -0.156  -3.536
  311    HB2  LYS  43           HB3      LYS  43  -9.998   1.893  -3.003
  312    HB3  LYS  43           HB2      LYS  43 -10.447   1.316  -4.603
  313    HG2  LYS  43           HG3      LYS  43 -12.786   2.086  -4.178
  314    HG3  LYS  43           HG2      LYS  43 -12.245   2.768  -2.645
  315    HD2  LYS  43           HD3      LYS  43 -10.592   4.164  -3.892
  316    HD3  LYS  43           HD2      LYS  43 -11.259   3.546  -5.404
  317    HE2  LYS  43           HE3      LYS  43 -12.760   5.226  -5.313
  318    HE3  LYS  43           HE2      LYS  43 -13.493   4.388  -3.944
  319    HZ1  LYS  43           HZ1      LYS  43 -13.013   6.384  -2.994
  320    HZ2  LYS  43           HZ2      LYS  43 -11.645   6.660  -3.965
  321    HZ3  LYS  43           HZ3      LYS  43 -11.561   5.572  -2.664
  322    H    VAL  44           H        VAL  44  -9.383  -0.125  -1.379
  323    HA   VAL  44           HA       VAL  44  -7.634  -1.760  -2.945
  324    HB   VAL  44           HB       VAL  44  -7.847  -1.310   0.043
  325   HG11  VAL  44          HG11      VAL  44  -6.742  -3.430  -0.273
  326   HG12  VAL  44          HG12      VAL  44  -5.493  -2.230   0.058
  327   HG13  VAL  44          HG13      VAL  44  -5.767  -2.785  -1.592
  328   HG21  VAL  44          HG21      VAL  44  -6.459   0.473  -0.282
  329   HG22  VAL  44          HG22      VAL  44  -7.077   0.415  -1.933
  330   HG23  VAL  44          HG23      VAL  44  -5.538  -0.351  -1.540
  331    H    ILE  45           H        ILE  45 -10.149  -2.542  -0.571
  332    HA   ILE  45           HA       ILE  45  -9.622  -5.294  -0.256
  333    HB   ILE  45           HB       ILE  45 -11.954  -3.494   0.062
  334   HG12  ILE  45          HG13      ILE  45 -12.086  -4.805   2.224
  335   HG13  ILE  45          HG12      ILE  45 -10.656  -5.691   1.698
  336   HG21  ILE  45          HG21      ILE  45 -13.440  -5.515   0.524
  337   HG22  ILE  45          HG22      ILE  45 -12.271  -6.466  -0.387
  338   HG23  ILE  45          HG23      ILE  45 -13.138  -5.147  -1.172
  339   HD11  ILE  45          HD11      ILE  45  -9.564  -3.384   1.364
  340   HD12  ILE  45          HD12      ILE  45  -9.809  -3.915   3.028
  341   HD13  ILE  45          HD13      ILE  45 -10.913  -2.746   2.302
  342    H    ALA  46           H        ALA  46 -11.806  -3.732  -2.636
  343    HA   ALA  46           HA       ALA  46 -12.414  -6.202  -3.983
  344    HB1  ALA  46           HB1      ALA  46 -13.859  -4.879  -5.096
  345    HB2  ALA  46           HB2      ALA  46 -12.539  -3.905  -5.746
  346    HB3  ALA  46           HB3      ALA  46 -13.233  -3.514  -4.172
  347    H    TRP  47           H        TRP  47  -9.962  -3.693  -4.504
  348    HA   TRP  47           HA       TRP  47  -8.958  -4.754  -6.975
  349    HB2  TRP  47           HB3      TRP  47  -8.399  -2.499  -6.413
  350    HB3  TRP  47           HB2      TRP  47  -7.728  -2.985  -4.858
  351    HD1  TRP  47           HD1      TRP  47  -7.053  -3.482  -8.624
  352    HE1  TRP  47           HE1      TRP  47  -4.518  -3.818  -8.947
  353    HE3  TRP  47           HE3      TRP  47  -5.530  -3.487  -3.751
  354    HZ2  TRP  47           HZ2      TRP  47  -2.156  -4.054  -7.354
  355    HZ3  TRP  47           HZ3      TRP  47  -3.134  -3.766  -3.182
  356    HH2  TRP  47           HH2      TRP  47  -1.447  -4.051  -4.976
  357    H    LEU  48           H        LEU  48  -7.888  -5.214  -3.594
  358    HA   LEU  48           HA       LEU  48  -5.613  -6.785  -4.234
  359    HB2  LEU  48           HB3      LEU  48  -6.439  -5.749  -1.957
  360    HB3  LEU  48           HB2      LEU  48  -7.238  -7.306  -1.755
  361    HG   LEU  48           HG       LEU  48  -5.045  -7.378  -0.693
  362   HD11  LEU  48          HD11      LEU  48  -5.972  -9.338  -2.133
  363   HD12  LEU  48          HD12      LEU  48  -4.287  -9.394  -1.621
  364   HD13  LEU  48          HD13      LEU  48  -4.692  -8.900  -3.262
  365   HD21  LEU  48          HD21      LEU  48  -3.474  -7.184  -3.161
  366   HD22  LEU  48          HD22      LEU  48  -3.193  -6.434  -1.590
  367   HD23  LEU  48          HD23      LEU  48  -4.290  -5.678  -2.744
  368    H    GLU  49           H        GLU  49  -8.925  -7.838  -3.378
  369    HA   GLU  49           HA       GLU  49  -8.335 -10.631  -3.792
  370    HB2  GLU  49           HB3      GLU  49 -10.231  -9.979  -2.420
  371    HB3  GLU  49           HB2      GLU  49 -10.963  -9.120  -3.763
  372    HG2  GLU  49           HG3      GLU  49 -11.162 -11.252  -4.999
  373    HG3  GLU  49           HG2      GLU  49 -10.462 -12.100  -3.628
  374    H    ASP  50           H        ASP  50  -9.652  -8.074  -5.850
  375    HA   ASP  50           HA       ASP  50 -10.325  -9.735  -8.071
  376    HB2  ASP  50           HB3      ASP  50 -11.093  -7.400  -7.787
  377    HB3  ASP  50           HB2      ASP  50  -9.443  -6.849  -8.075
  378    H    ARG  51           H        ARG  51  -7.331  -7.972  -7.302
  379    HA   ARG  51           HA       ARG  51  -6.041  -8.681  -9.780
  380    HB2  ARG  51           HB3      ARG  51  -5.438  -6.732  -8.290
  381    HB3  ARG  51           HB2      ARG  51  -4.672  -7.894  -7.204
  382    HG2  ARG  51           HG3      ARG  51  -3.224  -8.665  -9.051
  383    HG3  ARG  51           HG2      ARG  51  -3.979  -7.491 -10.130
  384    HD2  ARG  51           HD3      ARG  51  -3.253  -5.678  -8.533
  385    HD3  ARG  51           HD2      ARG  51  -2.336  -6.901  -7.654
  386    HE   ARG  51           HE       ARG  51  -1.525  -5.661 -10.124
  387   HH11  ARG  51          HH11      ARG  51   0.312  -6.489 -11.143
  388   HH12  ARG  51          HH12      ARG  51   0.887  -8.065 -10.715
  389   HH21  ARG  51          HH21      ARG  51  -1.604  -8.630  -8.372
  390   HH22  ARG  51          HH22      ARG  51  -0.197  -9.277  -9.148
  391    H    PHE  52           H        PHE  52  -5.645 -10.028  -6.456
  392    HA   PHE  52           HA       PHE  52  -4.057 -12.223  -7.687
  393    HB2  PHE  52           HB3      PHE  52  -4.345 -11.277  -4.832
  394    HB3  PHE  52           HB2      PHE  52  -3.449 -12.718  -5.296
  395    HD1  PHE  52           HD1      PHE  52  -3.432  -9.092  -5.145
  396    HD2  PHE  52           HD2      PHE  52  -1.482 -12.513  -6.858
  397    HE1  PHE  52           HE1      PHE  52  -1.464  -7.691  -5.699
  398    HE2  PHE  52           HE2      PHE  52   0.487 -11.110  -7.416
  399    HZ   PHE  52           HZ       PHE  52   0.496  -8.699  -6.836
  400    H    GLY  53           H        GLY  53  -7.240 -11.689  -6.660
  401    HA2  GLY  53           HA3      GLY  53  -9.002 -13.260  -6.452
  402    HA3  GLY  53           HA2      GLY  53  -7.850 -14.516  -6.900
  403    H    ILE  54           H        ILE  54  -7.289 -12.326  -4.211
  404    HA   ILE  54           HA       ILE  54  -7.441 -14.678  -2.377
  405    HB   ILE  54           HB       ILE  54  -6.067 -12.005  -1.970
  406   HG12  ILE  54          HG13      ILE  54  -4.782 -14.675  -2.591
  407   HG13  ILE  54          HG12      ILE  54  -5.172 -13.498  -3.847
  408   HG21  ILE  54          HG21      ILE  54  -6.625 -13.085   0.133
  409   HG22  ILE  54          HG22      ILE  54  -4.897 -13.289  -0.154
  410   HG23  ILE  54          HG23      ILE  54  -6.004 -14.630  -0.451
  411   HD11  ILE  54          HD11      ILE  54  -3.374 -13.021  -1.453
  412   HD12  ILE  54          HD12      ILE  54  -3.813 -11.801  -2.649
  413   HD13  ILE  54          HD13      ILE  54  -2.850 -13.200  -3.127
  414    H    ALA  55           H        ALA  55  -8.756 -14.555  -0.519
  415    HA   ALA  55           HA       ALA  55 -11.023 -12.826  -0.613
  416    HB1  ALA  55           HB1      ALA  55  -9.945 -14.852   1.215
  417    HB2  ALA  55           HB2      ALA  55 -11.621 -14.503   0.793
  418    HB3  ALA  55           HB3      ALA  55 -10.814 -13.565   2.050
  419    H    ALA  56           H        ALA  56 -11.124 -10.707  -0.135
  420    HA   ALA  56           HA       ALA  56  -8.885  -9.256   0.921
  421    HB1  ALA  56           HB1      ALA  56 -11.333  -8.638  -0.329
  422    HB2  ALA  56           HB2      ALA  56 -10.043  -7.515   0.105
  423    HB3  ALA  56           HB3      ALA  56 -11.367  -7.816   1.231
  424    H    ASP  57           H        ASP  57 -11.805 -10.586   2.381
  425    HA   ASP  57           HA       ASP  57 -11.189  -9.292   4.964
  426    HB2  ASP  57           HB3      ASP  57 -13.442 -11.100   4.085
  427    HB3  ASP  57           HB2      ASP  57 -13.290 -10.436   5.710
  428    H    ASP  58           H        ASP  58  -9.843 -11.816   3.479
  429    HA   ASP  58           HA       ASP  58 -10.108 -14.049   5.173
  430    HB2  ASP  58           HB3      ASP  58  -8.775 -13.931   3.026
  431    HB3  ASP  58           HB2      ASP  58  -7.507 -13.127   3.949
  432    H    VAL  59           H        VAL  59  -8.068 -11.174   5.542
  433    HA   VAL  59           HA       VAL  59  -7.788 -11.862   8.423
  434    HB   VAL  59           HB       VAL  59  -5.714 -12.588   7.243
  435   HG11  VAL  59          HG11      VAL  59  -4.436 -11.152   5.942
  436   HG12  VAL  59          HG12      VAL  59  -5.062  -9.707   6.737
  437   HG13  VAL  59          HG13      VAL  59  -6.057 -10.569   5.563
  438   HG21  VAL  59          HG21      VAL  59  -5.884 -11.391   9.608
  439   HG22  VAL  59          HG22      VAL  59  -4.964 -10.129   8.787
  440   HG23  VAL  59          HG23      VAL  59  -4.312 -11.764   8.902
  441    H    GLU  60           H        GLU  60  -7.769 -10.032   9.776
  442    HA   GLU  60           HA       GLU  60  -8.434  -7.478   8.397
  443    HB2  GLU  60           HB3      GLU  60 -10.032  -8.355  10.099
  444    HB3  GLU  60           HB2      GLU  60  -8.768  -8.217  11.317
  445    HG2  GLU  60           HG3      GLU  60  -8.588  -5.800  10.823
  446    HG3  GLU  60           HG2      GLU  60  -9.909  -5.955   9.673
  447    H    LEU  61           H        LEU  61  -7.152  -5.671   8.650
  448    HA   LEU  61           HA       LEU  61  -4.608  -6.068  10.144
  449    HB2  LEU  61           HB3      LEU  61  -5.251  -3.960   8.065
  450    HB3  LEU  61           HB2      LEU  61  -3.662  -4.379   8.700
  451    HG   LEU  61           HG       LEU  61  -5.455  -6.105   6.993
  452   HD11  LEU  61          HD11      LEU  61  -3.679  -4.212   6.213
  453   HD12  LEU  61          HD12      LEU  61  -4.010  -5.670   5.278
  454   HD13  LEU  61          HD13      LEU  61  -2.607  -5.607   6.343
  455   HD21  LEU  61          HD21      LEU  61  -3.373  -7.663   7.170
  456   HD22  LEU  61          HD22      LEU  61  -4.533  -7.657   8.499
  457   HD23  LEU  61          HD23      LEU  61  -3.023  -6.758   8.642
  458    H    SER  62           H        SER  62  -3.966  -4.561  11.705
  459    HA   SER  62           HA       SER  62  -6.118  -2.914  12.836
  460    HB2  SER  62           HB3      SER  62  -3.759  -2.375  14.240
  461    HB3  SER  62           HB2      SER  62  -5.005  -3.532  14.699
  462    HG   SER  62           HG       SER  62  -3.404  -4.894  14.462
  463    HA   PRO  63           HA       PRO  63  -5.073   0.993  11.118
  464    HB2  PRO  63           HB3      PRO  63  -4.893   2.557  13.434
  465    HB3  PRO  63           HB2      PRO  63  -6.381   2.195  12.544
  466    HG2  PRO  63           HG3      PRO  63  -5.311   0.974  15.021
  467    HG3  PRO  63           HG2      PRO  63  -6.989   1.249  14.523
  468    HD2  PRO  63           HD3      PRO  63  -5.842  -1.214  14.447
  469    HD3  PRO  63           HD2      PRO  63  -7.087  -0.708  13.282
  470    H    GLU  64           H        GLU  64  -3.105  -0.073  13.845
  471    HA   GLU  64           HA       GLU  64  -0.939   1.771  13.472
  472    HB2  GLU  64           HB3      GLU  64  -0.975  -1.003  14.670
  473    HB3  GLU  64           HB2      GLU  64   0.375   0.116  14.792
  474    HG2  GLU  64           HG3      GLU  64  -1.118   1.755  15.893
  475    HG3  GLU  64           HG2      GLU  64  -2.424   0.578  15.830
  476    H    HIS  65           H        HIS  65  -1.884  -1.152  11.845
  477    HA   HIS  65           HA       HIS  65   0.664  -1.825  10.697
  478    HB2  HIS  65           HB3      HIS  65  -1.267  -3.383  10.767
  479    HB3  HIS  65           HB2      HIS  65  -2.118  -2.356   9.613
  480    HD1  HIS  65           HD1      HIS  65   1.254  -4.154   9.822
  481    HD2  HIS  65           HD2      HIS  65  -1.642  -3.114   7.004
  482    HE1  HIS  65           HE1      HIS  65   2.006  -5.151   7.615
  483    HE2  HIS  65           HE2      HIS  65   0.254  -4.520   5.896
  484    H    PHE  66           H        PHE  66  -1.774   0.545   9.866
  485    HA   PHE  66           HA       PHE  66  -0.499   1.033   7.233
  486    HB2  PHE  66           HB3      PHE  66  -2.902   2.352   8.536
  487    HB3  PHE  66           HB2      PHE  66  -2.371   2.588   6.871
  488    HD1  PHE  66           HD1      PHE  66  -2.561   0.775   5.211
  489    HD2  PHE  66           HD2      PHE  66  -3.985   0.295   9.234
  490    HE1  PHE  66           HE1      PHE  66  -3.832  -1.240   4.521
  491    HE2  PHE  66           HE2      PHE  66  -5.256  -1.719   8.546
  492    HZ   PHE  66           HZ       PHE  66  -5.180  -2.487   6.190
  493    H    ARG  67           H        ARG  67   0.260   1.828  10.275
  494    HA   ARG  67           HA       ARG  67   0.455   4.642  10.379
  495    HB2  ARG  67           HB3      ARG  67   0.968   3.082  12.270
  496    HB3  ARG  67           HB2      ARG  67   2.471   2.648  11.462
  497    HG2  ARG  67           HG3      ARG  67   3.167   4.317  12.949
  498    HG3  ARG  67           HG2      ARG  67   2.913   5.225  11.462
  499    HD2  ARG  67           HD3      ARG  67   0.657   5.873  12.235
  500    HD3  ARG  67           HD2      ARG  67   0.906   4.957  13.720
  501    HE   ARG  67           HE       ARG  67   2.940   7.007  13.200
  502   HH11  ARG  67          HH11      ARG  67   3.003   8.672  14.728
  503   HH12  ARG  67          HH12      ARG  67   1.700   8.847  15.854
  504   HH21  ARG  67          HH21      ARG  67  -0.084   6.144  14.614
  505   HH22  ARG  67          HH22      ARG  67  -0.049   7.415  15.789
  506    H    SER  68           H        SER  68   2.644   2.272   8.870
  507    HA   SER  68           HA       SER  68   3.907   4.557   7.420
  508    HB2  SER  68           HB3      SER  68   6.111   3.577   7.709
  509    HB3  SER  68           HB2      SER  68   5.380   3.797   9.296
  510    HG   SER  68           HG       SER  68   5.013   1.387   7.898
  511    H    ILE  69           H        ILE  69   4.748   3.984   5.321
  512    HA   ILE  69           HA       ILE  69   3.185   2.073   3.892
  513    HB   ILE  69           HB       ILE  69   5.815   3.373   3.128
  514   HG12  ILE  69          HG13      ILE  69   2.978   4.195   2.489
  515   HG13  ILE  69          HG12      ILE  69   3.959   4.939   3.742
  516   HG21  ILE  69          HG21      ILE  69   5.648   2.201   1.227
  517   HG22  ILE  69          HG22      ILE  69   4.054   2.900   0.950
  518   HG23  ILE  69          HG23      ILE  69   4.212   1.394   1.850
  519   HD11  ILE  69          HD11      ILE  69   5.116   6.167   2.242
  520   HD12  ILE  69          HD12      ILE  69   3.892   5.694   1.064
  521   HD13  ILE  69          HD13      ILE  69   5.384   4.765   1.206
  522    H    ARG  70           H        ARG  70   6.429   1.924   5.308
  523    HA   ARG  70           HA       ARG  70   7.267  -0.516   4.107
  524    HB2  ARG  70           HB3      ARG  70   7.926   0.635   6.834
  525    HB3  ARG  70           HB2      ARG  70   8.788  -0.706   6.078
  526    HG2  ARG  70           HG3      ARG  70   9.308   0.778   4.136
  527    HG3  ARG  70           HG2      ARG  70   8.552   2.118   5.000
  528    HD2  ARG  70           HD3      ARG  70  10.948   0.516   5.938
  529    HD3  ARG  70           HD2      ARG  70  10.973   2.178   5.350
  530    HE   ARG  70           HE       ARG  70   9.205   2.331   7.432
  531   HH11  ARG  70          HH11      ARG  70   9.798   2.655   9.589
  532   HH12  ARG  70          HH12      ARG  70  11.367   2.153  10.125
  533   HH21  ARG  70          HH21      ARG  70  12.334   0.943   7.023
  534   HH22  ARG  70          HH22      ARG  70  12.802   1.184   8.673
  535    H    SER  71           H        SER  71   5.295   0.097   7.002
  536    HA   SER  71           HA       SER  71   5.238  -2.576   7.981
  537    HB2  SER  71           HB3      SER  71   4.338  -0.546   9.177
  538    HB3  SER  71           HB2      SER  71   2.960  -0.577   8.080
  539    HG   SER  71           HG       SER  71   2.393  -2.571   8.882
  540    H    ILE  72           H        ILE  72   3.146  -0.923   5.615
  541    HA   ILE  72           HA       ILE  72   1.396  -3.131   5.154
  542    HB   ILE  72           HB       ILE  72   2.203  -0.874   3.295
  543   HG12  ILE  72          HG13      ILE  72  -0.164  -1.129   5.179
  544   HG13  ILE  72          HG12      ILE  72   1.272  -0.158   5.505
  545   HG21  ILE  72          HG21      ILE  72   1.125  -2.703   2.099
  546   HG22  ILE  72          HG22      ILE  72  -0.003  -1.355   2.247
  547   HG23  ILE  72          HG23      ILE  72  -0.165  -2.760   3.298
  548   HD11  ILE  72          HD11      ILE  72   0.814   1.043   3.308
  549   HD12  ILE  72          HD12      ILE  72  -0.360   1.341   4.591
  550   HD13  ILE  72          HD13      ILE  72  -0.748   0.223   3.283
  551    H    ASP  73           H        ASP  73   4.469  -2.147   3.682
  552    HA   ASP  73           HA       ASP  73   4.526  -3.966   1.521
  553    HB2  ASP  73           HB3      ASP  73   6.207  -2.144   1.975
  554    HB3  ASP  73           HB2      ASP  73   6.902  -3.173   3.229
  555    H    ALA  74           H        ALA  74   5.348  -4.458   4.942
  556    HA   ALA  74           HA       ALA  74   6.429  -7.090   4.639
  557    HB1  ALA  74           HB1      ALA  74   5.953  -7.340   7.053
  558    HB2  ALA  74           HB2      ALA  74   4.958  -5.884   7.004
  559    HB3  ALA  74           HB3      ALA  74   6.695  -5.777   6.711
  560    H    PHE  75           H        PHE  75   3.118  -5.952   5.292
  561    HA   PHE  75           HA       PHE  75   1.951  -8.563   5.485
  562    HB2  PHE  75           HB3      PHE  75   0.760  -6.558   6.244
  563    HB3  PHE  75           HB2      PHE  75   0.699  -5.961   4.587
  564    HD1  PHE  75           HD1      PHE  75  -0.934  -6.740   3.044
  565    HD2  PHE  75           HD2      PHE  75  -0.426  -8.717   6.823
  566    HE1  PHE  75           HE1      PHE  75  -2.994  -8.056   2.631
  567    HE2  PHE  75           HE2      PHE  75  -2.488 -10.033   6.410
  568    HZ   PHE  75           HZ       PHE  75  -3.772  -9.702   4.312
  569    H    VAL  76           H        VAL  76   2.274  -6.318   2.732
  570    HA   VAL  76           HA       VAL  76   0.997  -8.013   0.826
  571    HB   VAL  76           HB       VAL  76   3.071  -5.827   0.528
  572   HG11  VAL  76          HG11      VAL  76   2.228  -5.842  -1.882
  573   HG12  VAL  76          HG12      VAL  76   1.545  -7.428  -1.526
  574   HG13  VAL  76          HG13      VAL  76   3.286  -7.175  -1.423
  575   HG21  VAL  76          HG21      VAL  76   0.065  -5.952   0.139
  576   HG22  VAL  76          HG22      VAL  76   1.065  -4.569  -0.306
  577   HG23  VAL  76          HG23      VAL  76   0.929  -5.051   1.386
  578    H    VAL  77           H        VAL  77   4.412  -7.671   1.798
  579    HA   VAL  77           HA       VAL  77   5.493  -9.450  -0.143
  580    HB   VAL  77           HB       VAL  77   6.409  -8.687   2.637
  581   HG11  VAL  77          HG11      VAL  77   7.606 -10.483   0.552
  582   HG12  VAL  77          HG12      VAL  77   7.537 -10.700   2.300
  583   HG13  VAL  77          HG13      VAL  77   8.659  -9.533   1.600
  584   HG21  VAL  77          HG21      VAL  77   6.257  -7.071   0.536
  585   HG22  VAL  77          HG22      VAL  77   7.736  -7.908   0.062
  586   HG23  VAL  77          HG23      VAL  77   7.669  -7.034   1.593
  587    H    GLY  78           H        GLY  78   4.297 -10.029   3.164
  588    HA2  GLY  78           HA3      GLY  78   4.969 -12.794   3.283
  589    HA3  GLY  78           HA2      GLY  78   3.697 -12.028   4.232
  590    H    ALA  79           H        ALA  79   2.088 -11.152   2.002
  591    HA   ALA  79           HA       ALA  79   0.835 -13.743   1.375
  592    HB1  ALA  79           HB1      ALA  79  -1.103 -12.532   0.859
  593    HB2  ALA  79           HB2      ALA  79  -0.196 -11.081   0.433
  594    HB3  ALA  79           HB3      ALA  79  -0.366 -11.551   2.124
  595    H    THR  80           H        THR  80   1.997 -10.906  -0.446
  596    HA   THR  80           HA       THR  80   2.405 -12.722  -2.785
  597    HB   THR  80           HB       THR  80   1.526  -9.836  -2.945
  598    HG1  THR  80           HG1      THR  80  -0.464 -10.886  -3.663
  599   HG21  THR  80          HG21      THR  80   2.804 -11.324  -4.821
  600   HG22  THR  80          HG22      THR  80   1.639 -10.060  -5.211
  601   HG23  THR  80          HG23      THR  80   1.127 -11.747  -5.167
  602    H    THR  81           H        THR  81   4.382 -12.480  -3.808
  603    HA   THR  81           HA       THR  81   6.146 -10.286  -2.805
  604    HB   THR  81           HB       THR  81   7.037 -12.237  -1.835
  605    HG1  THR  81           HG1      THR  81   8.489 -11.008  -3.273
  606   HG21  THR  81          HG21      THR  81   5.790 -13.987  -2.779
  607   HG22  THR  81          HG22      THR  81   7.417 -14.292  -3.386
  608   HG23  THR  81          HG23      THR  81   6.215 -13.528  -4.427
  609    HA   PRO  82           HA       PRO  82   5.772  -9.848  -7.391
  610    HB2  PRO  82           HB3      PRO  82   6.412  -7.043  -6.833
  611    HB3  PRO  82           HB2      PRO  82   4.989  -7.725  -7.635
  612    HG2  PRO  82           HG3      PRO  82   4.928  -6.595  -5.172
  613    HG3  PRO  82           HG2      PRO  82   3.801  -7.850  -5.710
  614    HD2  PRO  82           HD3      PRO  82   6.144  -8.086  -3.872
  615    HD3  PRO  82           HD2      PRO  82   4.613  -8.992  -3.880
  616    HA   PRO  83           HA       PRO  83  10.076  -9.901  -8.369
  617    HB2  PRO  83           HB3      PRO  83  10.111  -8.385 -10.702
  618    HB3  PRO  83           HB2      PRO  83   9.689 -10.104 -10.610
  619    HG2  PRO  83           HG3      PRO  83   7.923  -7.729 -10.794
  620    HG3  PRO  83           HG2      PRO  83   7.720  -9.349 -11.481
  621    HD2  PRO  83           HD3      PRO  83   6.349  -8.517  -9.281
  622    HD3  PRO  83           HD2      PRO  83   6.817 -10.214  -9.530
  623    H    VAL  84           H        VAL  84  11.985  -8.625  -8.199
  624    HA   VAL  84           HA       VAL  84  11.500  -5.807  -7.334
  625    HB   VAL  84           HB       VAL  84  13.884  -7.594  -6.763
  626   HG11  VAL  84          HG11      VAL  84  13.144  -4.779  -6.134
  627   HG12  VAL  84          HG12      VAL  84  14.737  -5.499  -6.367
  628   HG13  VAL  84          HG13      VAL  84  13.889  -5.710  -4.835
  629   HG21  VAL  84          HG21      VAL  84  12.834  -7.548  -4.414
  630   HG22  VAL  84          HG22      VAL  84  12.044  -8.570  -5.615
  631   HG23  VAL  84          HG23      VAL  84  11.360  -6.995  -5.210
  632    H    GLU  85           H        GLU  85  12.485  -4.158  -8.451
  633    HA   GLU  85           HA       GLU  85  14.754  -4.739 -10.237
  634    HB2  GLU  85           HB3      GLU  85  12.681  -5.199 -11.584
  635    HB3  GLU  85           HB2      GLU  85  12.198  -3.523 -11.325
  636    HG2  GLU  85           HG3      GLU  85  14.327  -2.777 -12.382
  637    HG3  GLU  85           HG2      GLU  85  14.727  -4.463 -12.710
  638    H    ALA  86           H        ALA  86  12.774  -2.583  -8.415
  639    HA   ALA  86           HA       ALA  86  14.828  -0.461  -8.785
  640    HB1  ALA  86           HB1      ALA  86  11.846  -0.178  -9.159
  641    HB2  ALA  86           HB2      ALA  86  13.143   0.358 -10.228
  642    HB3  ALA  86           HB3      ALA  86  12.847   1.204  -8.709
  643    H    LYS  87           H        LYS  87  14.841   1.088  -6.985
  644    HA   LYS  87           HA       LYS  87  14.799   1.596  -4.699
  645    HB2  LYS  87           HB3      LYS  87  12.303   1.645  -5.220
  646    HB3  LYS  87           HB2      LYS  87  12.230  -0.002  -4.597
  647    HG2  LYS  87           HG3      LYS  87  13.191   0.782  -2.448
  648    HG3  LYS  87           HG2      LYS  87  13.201   2.431  -3.071
  649    HD2  LYS  87           HD3      LYS  87  10.731   2.274  -3.411
  650    HD3  LYS  87           HD2      LYS  87  10.762   0.679  -2.659
  651    HE2  LYS  87           HE3      LYS  87  11.256   3.368  -1.413
  652    HE3  LYS  87           HE2      LYS  87  10.238   2.047  -0.839
  653    HZ1  LYS  87           HZ1      LYS  87  12.528   0.814  -0.748
  654    HZ2  LYS  87           HZ2      LYS  87  12.026   1.815   0.530
  655    HZ3  LYS  87           HZ3      LYS  87  13.139   2.391  -0.618
  656    H    LEU  88           H        LEU  88  16.510  -0.384  -5.206
  657    HA   LEU  88           HA       LEU  88  15.840  -2.663  -3.416
  658    HB2  LEU  88           HB3      LEU  88  16.798  -3.126  -5.686
  659    HB3  LEU  88           HB2      LEU  88  18.259  -2.268  -5.202
  660    HG   LEU  88           HG       LEU  88  18.460  -3.867  -3.257
  661   HD11  LEU  88          HD11      LEU  88  17.047  -6.073  -4.222
  662   HD12  LEU  88          HD12      LEU  88  15.905  -4.738  -4.368
  663   HD13  LEU  88          HD13      LEU  88  16.631  -5.109  -2.806
  664   HD21  LEU  88          HD21      LEU  88  18.410  -5.289  -5.929
  665   HD22  LEU  88          HD22      LEU  88  19.499  -5.574  -4.571
  666   HD23  LEU  88          HD23      LEU  88  19.638  -4.092  -5.517
  667    H    GLN  89           H        GLN  89  16.723  -2.785  -1.397
  668    HA   GLN  89           HA       GLN  89  18.135  -0.598  -0.242
  669    HB2  GLN  89           HB3      GLN  89  16.841  -2.317   1.043
  670    HB3  GLN  89           HB2      GLN  89  18.130  -3.476   0.714
  671    HG2  GLN  89           HG3      GLN  89  19.752  -2.019   1.854
  672    HG3  GLN  89           HG2      GLN  89  18.482  -0.835   2.163
  673   HE21  GLN  89          HE21      GLN  89  19.712  -1.796   4.419
  674   HE22  GLN  89          HE22      GLN  89  18.719  -2.908   5.230
  675    H3   7V9 101          1H1       NIA 101 -10.764   4.794   9.884
  676    H4   7V9 101          2H1       NIA 101  -9.214   4.672   9.053
  677    H5   7V9 101          1HE1      NIA 101 -11.816   2.624  10.836
  678    H6   7V9 101          2HE1      NIA 101 -10.719   3.586  11.825
  679    H7   7V9 101          3HE1      NIA 101 -10.542   1.833  11.762
  680    H8   7V9 101          2HE2      NIA 101  -8.151   3.831  10.882
  681    H9   7V9 101          3HE2      NIA 101  -7.740   2.590   9.698
  682    H10  7V9 101          1HE2      NIA 101  -8.303   2.126  11.303
  683    H11  7V9 101          3H        NIA 101  -9.385   1.774   8.208
  684    H12  7V9 101          3HO       NIA 101 -11.861   0.952   9.062
  685    H13  7V9 101          5H        NIA 101  -7.885   0.301  10.454
  686    H14  7V9 101          1H6       NIA 101  -7.657  -0.745   7.993
  687    H15  7V9 101          2H6       NIA 101  -7.381  -1.783   9.391
  688    H16  7V9 101          1H7       NIA 101  -9.982  -1.408   7.880
  689    H17  7V9 101          2H7       NIA 101  -9.856  -2.282   9.407
  690    H18  7V9 101          9H        NIA 101  -7.056  -2.615   7.298
  691    H19  7V9 101          1H10      NIA 101  -8.744  -3.298   5.101
  692    H20  7V9 101          2H10      NIA 101  -6.981  -3.331   5.067
  693    H21  7V9 101          1H11      NIA 101  -8.852  -5.544   5.288
  694    H22  7V9 101          2H11      NIA 101  -7.709  -5.542   6.632
  695    H25  7V9 101          5H1       NIA 101  -4.856  -3.933   4.050
  696    H26  7V9 101          7H1       NIA 101  -2.793  -3.778   0.403
  697    H27  7V9 101          8H1       NIA 101  -4.810  -4.696  -0.748
  698    H28  7V9 101          9H1       NIA 101  -6.535  -5.851   0.607
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1  11.319  -2.560  -1.903
    2    H2   MET   1           H2       MET   1  12.657  -2.012  -1.010
    3    H3   MET   1           H3       MET   1  11.191  -2.357  -0.224
    4    HA   MET   1           HA       MET   1  13.346  -4.094  -0.824
    5    HB2  MET   1           HB3      MET   1  10.688  -4.540   0.573
    6    HB3  MET   1           HB2      MET   1  12.124  -5.554   0.728
    7    HG2  MET   1           HG3      MET   1  11.911  -2.637   1.532
    8    HG3  MET   1           HG2      MET   1  11.967  -4.013   2.633
    9    HE1  MET   1           HE1      MET   1  13.590  -5.727   2.602
   10    HE2  MET   1           HE2      MET   1  15.328  -5.491   2.442
   11    HE3  MET   1           HE3      MET   1  14.369  -5.902   1.024
   12    H    GLN   2           H        GLN   2  11.044  -6.279  -0.604
   13    HA   GLN   2           HA       GLN   2  11.302  -7.266  -3.254
   14    HB2  GLN   2           HB3      GLN   2   9.148  -7.805  -1.188
   15    HB3  GLN   2           HB2      GLN   2   9.381  -8.750  -2.659
   16    HG2  GLN   2           HG3      GLN   2  11.658  -9.334  -1.946
   17    HG3  GLN   2           HG2      GLN   2  11.461  -8.361  -0.487
   18   HE21  GLN   2          HE21      GLN   2  12.009 -11.137  -0.260
   19   HE22  GLN   2          HE22      GLN   2  10.634 -11.922   0.351
   20    H    HIS   3           H        HIS   3   8.891  -5.139  -1.790
   21    HA   HIS   3           HA       HIS   3   8.071  -4.226  -4.445
   22    HB2  HIS   3           HB3      HIS   3   5.832  -4.967  -4.428
   23    HB3  HIS   3           HB2      HIS   3   6.731  -6.381  -3.880
   24    HD1  HIS   3           HD1      HIS   3   4.031  -4.132  -2.894
   25    HD2  HIS   3           HD2      HIS   3   6.741  -6.602  -0.906
   26    HE1  HIS   3           HE1      HIS   3   3.120  -4.457  -0.551
   27    HE2  HIS   3           HE2      HIS   3   4.763  -5.958   0.668
   28    H    ALA   4           H        ALA   4   9.107  -3.279  -1.733
   29    HA   ALA   4           HA       ALA   4   7.086  -1.751  -0.426
   30    HB1  ALA   4           HB1      ALA   4  10.029  -1.069  -0.700
   31    HB2  ALA   4           HB2      ALA   4   9.367  -2.178   0.501
   32    HB3  ALA   4           HB3      ALA   4   8.927  -0.471   0.540
   33    H    SER   5           H        SER   5   9.183  -1.000  -3.196
   34    HA   SER   5           HA       SER   5   8.434   1.755  -3.426
   35    HB2  SER   5           HB3      SER   5   9.350   1.636  -5.665
   36    HB3  SER   5           HB2      SER   5  10.368   0.661  -4.610
   37    HG   SER   5           HG       SER   5   9.711  -1.097  -5.596
   38    H    VAL   6           H        VAL   6   6.954  -1.231  -4.579
   39    HA   VAL   6           HA       VAL   6   5.033   0.004  -6.324
   40    HB   VAL   6           HB       VAL   6   4.984  -2.630  -4.843
   41   HG11  VAL   6          HG11      VAL   6   3.022  -1.309  -6.675
   42   HG12  VAL   6          HG12      VAL   6   2.725  -2.361  -5.292
   43   HG13  VAL   6          HG13      VAL   6   3.261  -3.050  -6.824
   44   HG21  VAL   6          HG21      VAL   6   6.404  -1.705  -7.119
   45   HG22  VAL   6          HG22      VAL   6   5.136  -2.777  -7.714
   46   HG23  VAL   6          HG23      VAL   6   6.296  -3.362  -6.521
   47    H    ILE   7           H        ILE   7   5.013  -0.807  -2.879
   48    HA   ILE   7           HA       ILE   7   2.270  -0.252  -2.374
   49    HB   ILE   7           HB       ILE   7   4.658   0.159  -0.551
   50   HG12  ILE   7          HG13      ILE   7   2.780  -2.210  -0.814
   51   HG13  ILE   7          HG12      ILE   7   4.385  -2.141  -1.541
   52   HG21  ILE   7          HG21      ILE   7   1.677  -0.015  -0.057
   53   HG22  ILE   7          HG22      ILE   7   2.774   1.287   0.403
   54   HG23  ILE   7          HG23      ILE   7   2.867  -0.274   1.218
   55   HD11  ILE   7          HD11      ILE   7   5.208  -2.922   0.403
   56   HD12  ILE   7          HD12      ILE   7   3.646  -2.737   1.200
   57   HD13  ILE   7          HD13      ILE   7   4.768  -1.378   1.133
   58    H    ALA   8           H        ALA   8   5.116   1.897  -2.100
   59    HA   ALA   8           HA       ALA   8   3.611   4.250  -1.446
   60    HB1  ALA   8           HB1      ALA   8   5.936   4.965  -2.948
   61    HB2  ALA   8           HB2      ALA   8   6.347   3.582  -1.935
   62    HB3  ALA   8           HB3      ALA   8   5.702   5.050  -1.202
   63    H    GLN   9           H        GLN   9   4.789   2.945  -4.522
   64    HA   GLN   9           HA       GLN   9   3.778   5.070  -6.167
   65    HB2  GLN   9           HB3      GLN   9   5.491   3.429  -6.911
   66    HB3  GLN   9           HB2      GLN   9   4.270   2.158  -6.867
   67    HG2  GLN   9           HG3      GLN   9   3.116   4.216  -8.385
   68    HG3  GLN   9           HG2      GLN   9   4.789   4.121  -8.935
   69   HE21  GLN   9          HE21      GLN   9   2.051   1.901  -8.144
   70   HE22  GLN   9          HE22      GLN   9   2.401   0.797  -9.385
   71    H    PHE  10           H        PHE  10   2.436   1.972  -5.129
   72    HA   PHE  10           HA       PHE  10   0.050   2.074  -6.698
   73    HB2  PHE  10           HB3      PHE  10   0.976   0.031  -5.610
   74    HB3  PHE  10           HB2      PHE  10   0.498   0.686  -4.046
   75    HD1  PHE  10           HD1      PHE  10  -1.796   0.683  -3.330
   76    HD2  PHE  10           HD2      PHE  10  -0.745  -0.565  -7.303
   77    HE1  PHE  10           HE1      PHE  10  -4.079  -0.235  -3.645
   78    HE2  PHE  10           HE2      PHE  10  -3.028  -1.481  -7.620
   79    HZ   PHE  10           HZ       PHE  10  -4.694  -1.318  -5.789
   80    H    VAL  11           H        VAL  11   0.587   2.929  -3.269
   81    HA   VAL  11           HA       VAL  11  -2.129   3.799  -2.880
   82    HB   VAL  11           HB       VAL  11  -0.824   3.141  -0.964
   83   HG11  VAL  11          HG11      VAL  11   1.321   3.768  -0.617
   84   HG12  VAL  11          HG12      VAL  11   0.946   5.470  -0.878
   85   HG13  VAL  11          HG13      VAL  11   1.273   4.418  -2.253
   86   HG21  VAL  11          HG21      VAL  11  -1.146   6.148  -0.819
   87   HG22  VAL  11          HG22      VAL  11  -1.286   4.987   0.501
   88   HG23  VAL  11          HG23      VAL  11  -2.509   5.031  -0.768
   89    H    VAL  12           H        VAL  12   0.875   5.635  -3.529
   90    HA   VAL  12           HA       VAL  12  -0.386   8.207  -3.400
   91    HB   VAL  12           HB       VAL  12   1.637   9.045  -4.439
   92   HG11  VAL  12          HG11      VAL  12   3.353   7.686  -3.010
   93   HG12  VAL  12          HG12      VAL  12   1.925   6.847  -2.411
   94   HG13  VAL  12          HG13      VAL  12   2.080   8.588  -2.188
   95   HG21  VAL  12          HG21      VAL  12   2.246   7.733  -6.215
   96   HG22  VAL  12          HG22      VAL  12   1.780   6.238  -5.404
   97   HG23  VAL  12          HG23      VAL  12   3.313   7.015  -5.007
   98    H    GLU  13           H        GLU  13   0.053   5.901  -6.041
   99    HA   GLU  13           HA       GLU  13  -0.478   7.542  -8.249
  100    HB2  GLU  13           HB3      GLU  13   0.085   5.121  -8.388
  101    HB3  GLU  13           HB2      GLU  13  -1.540   4.744  -7.835
  102    HG2  GLU  13           HG3      GLU  13  -2.441   6.011  -9.800
  103    HG3  GLU  13           HG2      GLU  13  -0.784   6.193 -10.371
  104    H    GLU  14           H        GLU  14  -2.749   6.174  -5.918
  105    HA   GLU  14           HA       GLU  14  -5.133   6.921  -7.329
  106    HB2  GLU  14           HB3      GLU  14  -4.643   6.472  -4.373
  107    HB3  GLU  14           HB2      GLU  14  -6.238   6.648  -5.105
  108    HG2  GLU  14           HG3      GLU  14  -5.755   4.703  -6.575
  109    HG3  GLU  14           HG2      GLU  14  -4.198   4.504  -5.769
  110    H    PHE  15           H        PHE  15  -3.052   8.677  -5.066
  111    HA   PHE  15           HA       PHE  15  -4.969  10.939  -5.057
  112    HB2  PHE  15           HB3      PHE  15  -2.324  10.666  -3.606
  113    HB3  PHE  15           HB2      PHE  15  -3.558  11.894  -3.322
  114    HD1  PHE  15           HD1      PHE  15  -5.724  11.293  -2.287
  115    HD2  PHE  15           HD2      PHE  15  -2.604   8.402  -2.848
  116    HE1  PHE  15           HE1      PHE  15  -6.879   9.745  -0.730
  117    HE2  PHE  15           HE2      PHE  15  -3.754   6.852  -1.300
  118    HZ   PHE  15           HZ       PHE  15  -5.894   7.522  -0.235
  119    H    LEU  16           H        LEU  16  -1.404  10.709  -5.484
  120    HA   LEU  16           HA       LEU  16  -1.673  12.835  -7.580
  121    HB2  LEU  16           HB3      LEU  16   0.002  12.681  -5.168
  122    HB3  LEU  16           HB2      LEU  16   0.883  13.123  -6.629
  123    HG   LEU  16           HG       LEU  16  -0.710  14.930  -7.077
  124   HD11  LEU  16          HD11      LEU  16  -2.166  13.575  -4.868
  125   HD12  LEU  16          HD12      LEU  16  -2.799  14.419  -6.281
  126   HD13  LEU  16          HD13      LEU  16  -2.236  15.337  -4.885
  127   HD21  LEU  16          HD21      LEU  16  -0.119  15.333  -4.179
  128   HD22  LEU  16          HD22      LEU  16   0.214  16.391  -5.551
  129   HD23  LEU  16          HD23      LEU  16   1.249  14.998  -5.241
  130    HA   PRO  17           HA       PRO  17   0.570   9.312  -9.513
  131    HB2  PRO  17           HB3      PRO  17  -0.992   9.081 -11.712
  132    HB3  PRO  17           HB2      PRO  17  -1.433   8.348 -10.159
  133    HG2  PRO  17           HG3      PRO  17  -2.500  10.771 -11.470
  134    HG3  PRO  17           HG2      PRO  17  -3.307   9.602 -10.414
  135    HD2  PRO  17           HD3      PRO  17  -2.332  12.130  -9.640
  136    HD3  PRO  17           HD2      PRO  17  -2.827  10.820  -8.547
  137    H    ASP  18           H        ASP  18  -0.337  12.494 -10.572
  138    HA   ASP  18           HA       ASP  18   1.200  12.466 -13.041
  139    HB2  ASP  18           HB3      ASP  18   0.042  14.709 -11.381
  140    HB3  ASP  18           HB2      ASP  18   0.838  14.949 -12.931
  141    H    VAL  19           H        VAL  19   2.081  12.408  -9.848
  142    HA   VAL  19           HA       VAL  19   4.586  13.968 -10.331
  143    HB   VAL  19           HB       VAL  19   3.408  13.020  -7.698
  144   HG11  VAL  19          HG11      VAL  19   5.664  13.337  -7.249
  145   HG12  VAL  19          HG12      VAL  19   5.057  14.975  -6.996
  146   HG13  VAL  19          HG13      VAL  19   5.851  14.553  -8.514
  147   HG21  VAL  19          HG21      VAL  19   2.794  15.395  -7.376
  148   HG22  VAL  19          HG22      VAL  19   1.980  14.717  -8.787
  149   HG23  VAL  19          HG23      VAL  19   3.383  15.765  -8.998
  150    H    ALA  20           H        ALA  20   6.591  12.885 -10.031
  151    HA   ALA  20           HA       ALA  20   6.625  10.103 -10.569
  152    HB1  ALA  20           HB1      ALA  20   8.996  10.213 -10.265
  153    HB2  ALA  20           HB2      ALA  20   8.856  11.610  -9.200
  154    HB3  ALA  20           HB3      ALA  20   8.517  11.777 -10.922
  155    HA   PRO  21           HA       PRO  21   5.522   8.943  -6.332
  156    HB2  PRO  21           HB3      PRO  21   5.695   6.206  -6.695
  157    HB3  PRO  21           HB2      PRO  21   4.268   7.189  -7.063
  158    HG2  PRO  21           HG3      PRO  21   6.298   6.064  -8.884
  159    HG3  PRO  21           HG2      PRO  21   4.575   6.373  -9.147
  160    HD2  PRO  21           HD3      PRO  21   6.598   7.953 -10.137
  161    HD3  PRO  21           HD2      PRO  21   4.939   8.525  -9.857
  162    H    ALA  22           H        ALA  22   8.360   7.793  -8.047
  163    HA   ALA  22           HA       ALA  22   9.693   6.713  -5.708
  164    HB1  ALA  22           HB1      ALA  22  10.620   5.853  -7.655
  165    HB2  ALA  22           HB2      ALA  22  11.757   7.158  -7.321
  166    HB3  ALA  22           HB3      ALA  22  10.483   7.383  -8.519
  167    H    ASP  23           H        ASP  23   9.079   9.870  -6.849
  168    HA   ASP  23           HA       ASP  23  11.420  11.053  -5.491
  169    HB2  ASP  23           HB3      ASP  23   9.111  12.280  -7.026
  170    HB3  ASP  23           HB2      ASP  23  10.405  13.219  -6.281
  171    H    VAL  24           H        VAL  24   8.723   9.733  -4.366
  172    HA   VAL  24           HA       VAL  24   8.018  11.932  -2.492
  173    HB   VAL  24           HB       VAL  24   6.754   9.192  -2.836
  174   HG11  VAL  24          HG11      VAL  24   5.860  11.693  -1.367
  175   HG12  VAL  24          HG12      VAL  24   6.366  10.175  -0.624
  176   HG13  VAL  24          HG13      VAL  24   4.882  10.240  -1.575
  177   HG21  VAL  24          HG21      VAL  24   5.643  11.847  -3.762
  178   HG22  VAL  24          HG22      VAL  24   5.109  10.226  -4.207
  179   HG23  VAL  24          HG23      VAL  24   6.645  10.846  -4.813
  180    H    ASP  25           H        ASP  25   8.573  11.812  -0.329
  181    HA   ASP  25           HA       ASP  25  10.680  10.031   0.452
  182    HB2  ASP  25           HB3      ASP  25   8.834  11.775   2.108
  183    HB3  ASP  25           HB2      ASP  25  10.246  10.937   2.753
  184    H    VAL  26           H        VAL  26   9.786   7.913  -0.027
  185    HA   VAL  26           HA       VAL  26   7.375   6.896   1.102
  186    HB   VAL  26           HB       VAL  26   8.309   4.681   0.662
  187   HG11  VAL  26          HG11      VAL  26   8.203   4.964  -1.589
  188   HG12  VAL  26          HG12      VAL  26   9.560   6.090  -1.598
  189   HG13  VAL  26          HG13      VAL  26   7.940   6.667  -1.211
  190   HG21  VAL  26          HG21      VAL  26  10.867   5.215  -0.370
  191   HG22  VAL  26          HG22      VAL  26  10.497   4.365   1.130
  192   HG23  VAL  26          HG23      VAL  26  10.797   6.103   1.152
  193    H    ASP  27           H        ASP  27   9.968   8.108   2.729
  194    HA   ASP  27           HA       ASP  27   9.916   6.137   4.940
  195    HB2  ASP  27           HB3      ASP  27  11.498   8.695   4.528
  196    HB3  ASP  27           HB2      ASP  27  11.643   7.655   5.945
  197    H    LEU  28           H        LEU  28   7.885   8.429   3.972
  198    HA   LEU  28           HA       LEU  28   7.490   9.766   6.588
  199    HB2  LEU  28           HB3      LEU  28   7.331  11.055   4.444
  200    HB3  LEU  28           HB2      LEU  28   5.932  10.080   4.006
  201    HG   LEU  28           HG       LEU  28   5.064  10.844   6.394
  202   HD11  LEU  28          HD11      LEU  28   6.611  13.307   5.663
  203   HD12  LEU  28          HD12      LEU  28   7.391  12.054   6.630
  204   HD13  LEU  28          HD13      LEU  28   5.926  12.840   7.220
  205   HD21  LEU  28          HD21      LEU  28   3.793  11.395   4.477
  206   HD22  LEU  28          HD22      LEU  28   5.079  12.402   3.809
  207   HD23  LEU  28          HD23      LEU  28   4.160  12.958   5.208
  208    H    ASP  29           H        ASP  29   5.824   9.219   7.964
  209    HA   ASP  29           HA       ASP  29   4.476   6.715   7.616
  210    HB2  ASP  29           HB3      ASP  29   3.851   9.062   9.440
  211    HB3  ASP  29           HB2      ASP  29   3.074   7.483   9.554
  212    H    LEU  30           H        LEU  30   2.794   6.322   6.266
  213    HA   LEU  30           HA       LEU  30   1.525   8.434   4.788
  214    HB2  LEU  30           HB3      LEU  30   0.009   6.618   3.973
  215    HB3  LEU  30           HB2      LEU  30   1.720   6.213   3.817
  216    HG   LEU  30           HG       LEU  30   0.626   5.449   6.418
  217   HD11  LEU  30          HD11      LEU  30  -0.643   4.436   3.874
  218   HD12  LEU  30          HD12      LEU  30  -1.432   4.965   5.361
  219   HD13  LEU  30          HD13      LEU  30  -0.567   3.429   5.320
  220   HD21  LEU  30          HD21      LEU  30   1.724   3.310   5.785
  221   HD22  LEU  30          HD22      LEU  30   2.796   4.690   5.548
  222   HD23  LEU  30          HD23      LEU  30   1.995   3.947   4.165
  223    H    VAL  31           H        VAL  31   1.169   7.807   7.961
  224    HA   VAL  31           HA       VAL  31  -1.594   7.553   8.451
  225    HB   VAL  31           HB       VAL  31   0.347   7.712  10.151
  226   HG11  VAL  31          HG11      VAL  31  -0.366  10.649  10.069
  227   HG12  VAL  31          HG12      VAL  31   1.029   9.997   9.211
  228   HG13  VAL  31          HG13      VAL  31   0.937   9.872  10.967
  229   HG21  VAL  31          HG21      VAL  31  -1.261   8.956  11.807
  230   HG22  VAL  31          HG22      VAL  31  -1.779   7.428  11.096
  231   HG23  VAL  31          HG23      VAL  31  -2.380   8.952  10.443
  232    H    ASP  32           H        ASP  32   0.294  10.410   7.554
  233    HA   ASP  32           HA       ASP  32  -1.774  12.350   7.825
  234    HB2  ASP  32           HB3      ASP  32   0.669  12.815   7.289
  235    HB3  ASP  32           HB2      ASP  32   0.328  12.298   5.637
  236    H    ASN  33           H        ASN  33  -1.006  10.001   5.334
  237    HA   ASN  33           HA       ASN  33  -3.177  10.918   3.578
  238    HB2  ASN  33           HB3      ASN  33  -1.394   8.482   3.388
  239    HB3  ASN  33           HB2      ASN  33  -2.475   9.069   2.126
  240   HD21  ASN  33          HD21      ASN  33   0.660   8.937   2.562
  241   HD22  ASN  33          HD22      ASN  33   1.164  10.466   2.027
  242    H    GLY  34           H        GLY  34  -3.491   9.735   6.402
  243    HA2  GLY  34           HA3      GLY  34  -4.589   7.209   6.509
  244    HA3  GLY  34           HA2      GLY  34  -5.278   8.564   7.405
  245    H    VAL  35           H        VAL  35  -5.649   9.778   4.529
  246    HA   VAL  35           HA       VAL  35  -8.422   9.357   4.279
  247    HB   VAL  35           HB       VAL  35  -6.339   9.997   2.169
  248   HG11  VAL  35          HG11      VAL  35  -8.221   9.062   0.996
  249   HG12  VAL  35          HG12      VAL  35  -8.339  10.815   0.849
  250   HG13  VAL  35          HG13      VAL  35  -9.362   9.956   1.999
  251   HG21  VAL  35          HG21      VAL  35  -7.079  11.527   4.237
  252   HG22  VAL  35          HG22      VAL  35  -8.415  11.906   3.151
  253   HG23  VAL  35          HG23      VAL  35  -6.755  12.217   2.646
  254    H    ILE  36           H        ILE  36  -5.718   7.498   2.991
  255    HA   ILE  36           HA       ILE  36  -7.295   5.738   1.342
  256    HB   ILE  36           HB       ILE  36  -4.758   6.138   1.250
  257   HG12  ILE  36          HG13      ILE  36  -6.195   3.523   1.074
  258   HG13  ILE  36          HG12      ILE  36  -5.395   4.447  -0.196
  259   HG21  ILE  36          HG21      ILE  36  -3.367   4.930   2.747
  260   HG22  ILE  36          HG22      ILE  36  -4.714   3.957   3.340
  261   HG23  ILE  36          HG23      ILE  36  -4.596   5.661   3.780
  262   HD11  ILE  36          HD11      ILE  36  -3.198   3.867   1.054
  263   HD12  ILE  36          HD12      ILE  36  -3.975   2.587   0.124
  264   HD13  ILE  36          HD13      ILE  36  -4.159   2.638   1.877
  265    H    ASP  37           H        ASP  37  -6.670   5.892   4.741
  266    HA   ASP  37           HA       ASP  37  -6.822   3.227   5.551
  267    HB2  ASP  37           HB3      ASP  37  -8.070   5.654   6.864
  268    HB3  ASP  37           HB2      ASP  37  -7.874   4.088   7.646
  269    H    SER  38           H        SER  38  -9.508   5.313   4.517
  270    HA   SER  38           HA       SER  38 -11.293   2.926   4.802
  271    HB2  SER  38          2HB       SER  38 -11.889   5.866   5.103
  272    HB3  SER  38          1HB       SER  38 -13.153   4.654   4.919
  273    H    LEU  39           H        LEU  39 -11.257   5.979   2.913
  274    HA   LEU  39           HA       LEU  39 -12.869   4.932   0.820
  275    HB2  LEU  39           HB3      LEU  39 -12.409   7.362   1.222
  276    HB3  LEU  39           HB2      LEU  39 -10.792   7.108   0.578
  277    HG   LEU  39           HG       LEU  39 -12.976   6.089  -1.129
  278   HD11  LEU  39          HD11      LEU  39 -13.226   8.537  -2.006
  279   HD12  LEU  39          HD12      LEU  39 -12.691   8.993  -0.389
  280   HD13  LEU  39          HD13      LEU  39 -14.163   8.044  -0.595
  281   HD21  LEU  39          HD21      LEU  39 -11.557   7.194  -2.861
  282   HD22  LEU  39          HD22      LEU  39 -10.636   6.075  -1.857
  283   HD23  LEU  39          HD23      LEU  39 -10.516   7.811  -1.578
  284    H    GLY  40           H        GLY  40  -9.333   5.362   0.922
  285    HA2  GLY  40           HA3      GLY  40  -8.926   3.968  -1.573
  286    HA3  GLY  40           HA2      GLY  40  -7.670   4.381  -0.412
  287    H    LEU  41           H        LEU  41  -8.720   3.041   1.848
  288    HA   LEU  41           HA       LEU  41  -7.691   0.424   1.474
  289    HB2  LEU  41           HB3      LEU  41  -7.938   1.544   3.693
  290    HB3  LEU  41           HB2      LEU  41  -9.682   1.317   3.580
  291    HG   LEU  41           HG       LEU  41  -8.071  -1.122   3.115
  292   HD11  LEU  41          HD11      LEU  41  -7.993   0.429   5.692
  293   HD12  LEU  41          HD12      LEU  41  -6.692  -0.444   4.881
  294   HD13  LEU  41          HD13      LEU  41  -7.959  -1.334   5.726
  295   HD21  LEU  41          HD21      LEU  41 -10.488  -0.414   4.814
  296   HD22  LEU  41          HD22      LEU  41  -9.840  -2.043   4.636
  297   HD23  LEU  41          HD23      LEU  41 -10.510  -1.205   3.240
  298    H    LEU  42           H        LEU  42 -11.043   1.612   1.427
  299    HA   LEU  42           HA       LEU  42 -12.309  -0.925   1.173
  300    HB2  LEU  42           HB3      LEU  42 -13.494   1.261   1.564
  301    HB3  LEU  42           HB2      LEU  42 -13.191   1.672  -0.117
  302    HG   LEU  42           HG       LEU  42 -14.321  -0.622  -0.637
  303   HD11  LEU  42          HD11      LEU  42 -14.371  -0.755   2.112
  304   HD12  LEU  42          HD12      LEU  42 -15.405  -1.697   1.038
  305   HD13  LEU  42          HD13      LEU  42 -15.996  -0.189   1.736
  306   HD21  LEU  42          HD21      LEU  42 -16.614   0.545  -0.368
  307   HD22  LEU  42          HD22      LEU  42 -15.406   1.355  -1.366
  308   HD23  LEU  42          HD23      LEU  42 -15.697   1.902   0.286
  309    H    LYS  43           H        LYS  43 -11.035   1.295  -1.307
  310    HA   LYS  43           HA       LYS  43 -11.758  -0.340  -3.548
  311    HB2  LYS  43           HB3      LYS  43  -9.547   1.695  -3.210
  312    HB3  LYS  43           HB2      LYS  43 -10.033   1.000  -4.751
  313    HG2  LYS  43           HG3      LYS  43 -12.346   1.858  -4.362
  314    HG3  LYS  43           HG2      LYS  43 -11.769   2.648  -2.894
  315    HD2  LYS  43           HD3      LYS  43 -10.099   3.895  -4.271
  316    HD3  LYS  43           HD2      LYS  43 -10.806   3.178  -5.720
  317    HE2  LYS  43           HE3      LYS  43 -12.297   4.893  -3.712
  318    HE3  LYS  43           HE2      LYS  43 -11.729   5.434  -5.291
  319    HZ1  LYS  43           HZ1      LYS  43 -14.129   4.647  -5.100
  320    HZ2  LYS  43           HZ2      LYS  43 -13.487   3.077  -5.014
  321    HZ3  LYS  43           HZ3      LYS  43 -13.209   4.039  -6.387
  322    H    VAL  44           H        VAL  44  -8.977  -0.248  -1.391
  323    HA   VAL  44           HA       VAL  44  -7.254  -1.958  -2.888
  324    HB   VAL  44           HB       VAL  44  -7.483  -1.501   0.097
  325   HG11  VAL  44          HG11      VAL  44  -5.420  -2.973  -1.559
  326   HG12  VAL  44          HG12      VAL  44  -6.348  -3.594  -0.194
  327   HG13  VAL  44          HG13      VAL  44  -5.095  -2.382   0.071
  328   HG21  VAL  44          HG21      VAL  44  -6.167   0.324  -0.230
  329   HG22  VAL  44          HG22      VAL  44  -6.694   0.217  -1.911
  330   HG23  VAL  44          HG23      VAL  44  -5.162  -0.505  -1.419
  331    H    ILE  45           H        ILE  45  -9.746  -2.739  -0.446
  332    HA   ILE  45           HA       ILE  45  -9.197  -5.517  -0.280
  333    HB   ILE  45           HB       ILE  45 -11.912  -4.173  -0.112
  334   HG12  ILE  45          HG13      ILE  45 -10.459  -3.046   1.441
  335   HG13  ILE  45          HG12      ILE  45 -11.406  -4.194   2.377
  336   HG21  ILE  45          HG21      ILE  45 -11.924  -6.643  -0.272
  337   HG22  ILE  45          HG22      ILE  45 -12.479  -6.080   1.304
  338   HG23  ILE  45          HG23      ILE  45 -10.847  -6.722   1.121
  339   HD11  ILE  45          HD11      ILE  45  -9.419  -5.822   1.970
  340   HD12  ILE  45          HD12      ILE  45  -9.221  -4.544   3.167
  341   HD13  ILE  45          HD13      ILE  45  -8.513  -4.365   1.563
  342    H    ALA  46           H        ALA  46 -11.491  -3.784  -2.419
  343    HA   ALA  46           HA       ALA  46 -12.298  -6.148  -3.840
  344    HB1  ALA  46           HB1      ALA  46 -12.867  -3.348  -3.933
  345    HB2  ALA  46           HB2      ALA  46 -13.753  -4.663  -4.705
  346    HB3  ALA  46           HB3      ALA  46 -12.434  -3.867  -5.562
  347    H    TRP  47           H        TRP  47  -9.770  -3.728  -4.419
  348    HA   TRP  47           HA       TRP  47  -8.899  -4.795  -6.948
  349    HB2  TRP  47           HB3      TRP  47  -8.276  -2.545  -6.318
  350    HB3  TRP  47           HB2      TRP  47  -7.503  -3.118  -4.842
  351    HD1  TRP  47           HD1      TRP  47  -7.092  -3.270  -8.664
  352    HE1  TRP  47           HE1      TRP  47  -4.601  -3.675  -9.191
  353    HE3  TRP  47           HE3      TRP  47  -5.286  -3.935  -3.935
  354    HZ2  TRP  47           HZ2      TRP  47  -2.163  -4.209  -7.790
  355    HZ3  TRP  47           HZ3      TRP  47  -2.879  -4.389  -3.559
  356    HH2  TRP  47           HH2      TRP  47  -1.316  -4.528  -5.480
  357    H    LEU  48           H        LEU  48  -7.885  -5.350  -3.586
  358    HA   LEU  48           HA       LEU  48  -5.675  -7.048  -4.136
  359    HB2  LEU  48           HB3      LEU  48  -6.300  -6.078  -1.891
  360    HB3  LEU  48           HB2      LEU  48  -7.594  -7.261  -1.802
  361    HG   LEU  48           HG       LEU  48  -5.721  -8.999  -2.269
  362   HD11  LEU  48          HD11      LEU  48  -3.563  -8.319  -2.170
  363   HD12  LEU  48          HD12      LEU  48  -3.880  -7.248  -0.805
  364   HD13  LEU  48          HD13      LEU  48  -4.209  -6.702  -2.447
  365   HD21  LEU  48          HD21      LEU  48  -6.545  -7.601   0.198
  366   HD22  LEU  48          HD22      LEU  48  -5.046  -8.519   0.340
  367   HD23  LEU  48          HD23      LEU  48  -6.529  -9.327  -0.163
  368    H    GLU  49           H        GLU  49  -9.113  -7.824  -3.571
  369    HA   GLU  49           HA       GLU  49  -8.792 -10.656  -3.992
  370    HB2  GLU  49           HB3      GLU  49 -10.745  -9.747  -2.806
  371    HB3  GLU  49           HB2      GLU  49 -11.259  -8.914  -4.266
  372    HG2  GLU  49           HG3      GLU  49 -11.469 -11.088  -5.418
  373    HG3  GLU  49           HG2      GLU  49 -10.996 -11.908  -3.938
  374    H    ASP  50           H        ASP  50  -9.448  -7.918  -6.100
  375    HA   ASP  50           HA       ASP  50 -10.260  -9.321  -8.414
  376    HB2  ASP  50           HB3      ASP  50  -8.717  -6.757  -8.064
  377    HB3  ASP  50           HB2      ASP  50  -9.324  -7.301  -9.617
  378    H    ARG  51           H        ARG  51  -6.971  -8.390  -7.378
  379    HA   ARG  51           HA       ARG  51  -5.816  -9.883  -9.630
  380    HB2  ARG  51           HB3      ARG  51  -4.571  -8.303  -7.371
  381    HB3  ARG  51           HB2      ARG  51  -3.652  -9.090  -8.651
  382    HG2  ARG  51           HG3      ARG  51  -4.951  -7.781 -10.336
  383    HG3  ARG  51           HG2      ARG  51  -5.742  -6.927  -9.010
  384    HD2  ARG  51           HD3      ARG  51  -3.912  -5.544  -9.715
  385    HD3  ARG  51           HD2      ARG  51  -3.428  -6.286  -8.190
  386    HE   ARG  51           HE       ARG  51  -2.415  -8.051 -10.007
  387   HH11  ARG  51          HH11      ARG  51  -0.413  -7.836 -11.036
  388   HH12  ARG  51          HH12      ARG  51   0.265  -6.258 -11.261
  389   HH21  ARG  51          HH21      ARG  51  -2.384  -4.613  -9.742
  390   HH22  ARG  51          HH22      ARG  51  -0.851  -4.434 -10.528
  391    H    PHE  52           H        PHE  52  -5.556 -10.059  -6.049
  392    HA   PHE  52           HA       PHE  52  -4.120 -12.585  -6.215
  393    HB2  PHE  52           HB3      PHE  52  -5.312 -11.094  -3.867
  394    HB3  PHE  52           HB2      PHE  52  -4.290 -12.522  -3.734
  395    HD1  PHE  52           HD1      PHE  52  -1.920 -12.455  -4.492
  396    HD2  PHE  52           HD2      PHE  52  -4.387  -8.939  -4.418
  397    HE1  PHE  52           HE1      PHE  52   0.103 -11.032  -4.675
  398    HE2  PHE  52           HE2      PHE  52  -2.364  -7.516  -4.601
  399    HZ   PHE  52           HZ       PHE  52  -0.119  -8.562  -4.730
  400    H    GLY  53           H        GLY  53  -7.499 -11.694  -5.845
  401    HA2  GLY  53           HA3      GLY  53  -9.368 -13.154  -5.978
  402    HA3  GLY  53           HA2      GLY  53  -8.247 -14.504  -6.128
  403    H    ILE  54           H        ILE  54  -8.062 -12.178  -3.496
  404    HA   ILE  54           HA       ILE  54  -8.592 -14.401  -1.597
  405    HB   ILE  54           HB       ILE  54  -7.484 -11.619  -1.107
  406   HG12  ILE  54          HG13      ILE  54  -6.017 -14.268  -1.132
  407   HG13  ILE  54          HG12      ILE  54  -6.097 -13.207  -2.537
  408   HG21  ILE  54          HG21      ILE  54  -8.476 -13.667   0.654
  409   HG22  ILE  54          HG22      ILE  54  -7.791 -12.097   1.071
  410   HG23  ILE  54          HG23      ILE  54  -6.736 -13.498   0.886
  411   HD11  ILE  54          HD11      ILE  54  -5.025 -11.409  -1.310
  412   HD12  ILE  54          HD12      ILE  54  -4.037 -12.861  -1.145
  413   HD13  ILE  54          HD13      ILE  54  -5.076 -12.346   0.184
  414    H    ALA  55           H        ALA  55 -10.233 -14.238  -0.026
  415    HA   ALA  55           HA       ALA  55 -12.594 -12.823  -0.743
  416    HB1  ALA  55           HB1      ALA  55 -13.485 -14.154   0.841
  417    HB2  ALA  55           HB2      ALA  55 -12.515 -13.383   2.095
  418    HB3  ALA  55           HB3      ALA  55 -11.860 -14.745   1.187
  419    H    ALA  56           H        ALA  56 -13.505 -10.918   0.069
  420    HA   ALA  56           HA       ALA  56 -11.733  -8.798   0.750
  421    HB1  ALA  56           HB1      ALA  56 -14.028  -7.739   1.544
  422    HB2  ALA  56           HB2      ALA  56 -14.706  -9.167   0.764
  423    HB3  ALA  56           HB3      ALA  56 -13.728  -8.036  -0.168
  424    H    ASP  57           H        ASP  57 -13.715 -10.929   2.767
  425    HA   ASP  57           HA       ASP  57 -12.770  -9.508   5.196
  426    HB2  ASP  57           HB3      ASP  57 -14.815 -11.697   4.803
  427    HB3  ASP  57           HB2      ASP  57 -14.379 -11.026   6.373
  428    H    ASP  58           H        ASP  58 -11.431 -11.714   3.275
  429    HA   ASP  58           HA       ASP  58 -10.852 -13.978   4.855
  430    HB2  ASP  58           HB3      ASP  58 -10.216 -13.626   2.437
  431    HB3  ASP  58           HB2      ASP  58  -8.894 -12.613   3.010
  432    H    VAL  59           H        VAL  59  -9.276 -10.796   4.805
  433    HA   VAL  59           HA       VAL  59  -8.032 -11.500   7.425
  434    HB   VAL  59           HB       VAL  59  -5.954 -10.385   6.755
  435   HG11  VAL  59          HG11      VAL  59  -6.820 -12.411   4.668
  436   HG12  VAL  59          HG12      VAL  59  -6.260 -12.822   6.289
  437   HG13  VAL  59          HG13      VAL  59  -5.163 -12.044   5.148
  438   HG21  VAL  59          HG21      VAL  59  -7.432  -9.996   4.136
  439   HG22  VAL  59          HG22      VAL  59  -5.691  -9.777   4.314
  440   HG23  VAL  59          HG23      VAL  59  -6.806  -8.739   5.203
  441    H    GLU  60           H        GLU  60  -7.660  -9.649   8.803
  442    HA   GLU  60           HA       GLU  60  -8.930  -7.110   7.883
  443    HB2  GLU  60           HB3      GLU  60  -9.441  -8.485  10.537
  444    HB3  GLU  60           HB2      GLU  60 -10.057  -6.904  10.074
  445    HG2  GLU  60           HG3      GLU  60 -11.225  -7.951   8.156
  446    HG3  GLU  60           HG2      GLU  60 -10.666  -9.527   8.706
  447    H    LEU  61           H        LEU  61  -7.407  -5.547   8.103
  448    HA   LEU  61           HA       LEU  61  -5.385  -5.842  10.277
  449    HB2  LEU  61           HB3      LEU  61  -5.190  -4.157   7.764
  450    HB3  LEU  61           HB2      LEU  61  -3.906  -4.465   8.930
  451    HG   LEU  61           HG       LEU  61  -3.533  -5.941   7.065
  452   HD11  LEU  61          HD11      LEU  61  -3.466  -6.827   9.511
  453   HD12  LEU  61          HD12      LEU  61  -3.407  -7.996   8.193
  454   HD13  LEU  61          HD13      LEU  61  -4.918  -7.721   9.059
  455   HD21  LEU  61          HD21      LEU  61  -6.057  -7.450   7.312
  456   HD22  LEU  61          HD22      LEU  61  -5.177  -6.962   5.866
  457   HD23  LEU  61          HD23      LEU  61  -6.252  -5.820   6.671
  458    H    SER  62           H        SER  62  -5.141  -4.186  11.755
  459    HA   SER  62           HA       SER  62  -7.294  -2.225  11.928
  460    HB2  SER  62           HB3      SER  62  -6.744  -2.413  14.105
  461    HB3  SER  62           HB2      SER  62  -5.308  -3.344  13.687
  462    HG   SER  62           HG       SER  62  -5.552  -0.739  14.428
  463    HA   PRO  63           HA       PRO  63  -5.531   1.284   9.963
  464    HB2  PRO  63           HB3      PRO  63  -5.643   3.187  12.023
  465    HB3  PRO  63           HB2      PRO  63  -6.945   2.814  10.882
  466    HG2  PRO  63           HG3      PRO  63  -6.567   1.925  13.680
  467    HG3  PRO  63           HG2      PRO  63  -8.061   2.243  12.782
  468    HD2  PRO  63           HD3      PRO  63  -7.205  -0.279  13.317
  469    HD3  PRO  63           HD2      PRO  63  -8.107   0.122  11.838
  470    H    GLU  64           H        GLU  64  -4.220   0.404  13.098
  471    HA   GLU  64           HA       GLU  64  -1.886   2.058  13.051
  472    HB2  GLU  64           HB3      GLU  64  -2.344  -0.646  14.322
  473    HB3  GLU  64           HB2      GLU  64  -0.956   0.381  14.648
  474    HG2  GLU  64           HG3      GLU  64  -2.493   2.172  15.398
  475    HG3  GLU  64           HG2      GLU  64  -3.853   1.086  15.141
  476    H    HIS  65           H        HIS  65  -2.713  -0.929  11.450
  477    HA   HIS  65           HA       HIS  65  -0.046  -1.759  10.766
  478    HB2  HIS  65           HB3      HIS  65  -2.021  -3.251  10.628
  479    HB3  HIS  65           HB2      HIS  65  -2.655  -2.273   9.304
  480    HD1  HIS  65           HD1      HIS  65  -2.074  -3.143   7.052
  481    HD2  HIS  65           HD2      HIS  65   0.798  -4.211   9.883
  482    HE1  HIS  65           HE1      HIS  65  -0.363  -4.567   5.838
  483    HE2  HIS  65           HE2      HIS  65   1.393  -5.215   7.551
  484    H    PHE  66           H        PHE  66  -2.227   0.629   9.438
  485    HA   PHE  66           HA       PHE  66  -0.597   0.915   6.980
  486    HB2  PHE  66           HB3      PHE  66  -2.812   2.790   7.760
  487    HB3  PHE  66           HB2      PHE  66  -2.329   2.249   6.154
  488    HD1  PHE  66           HD1      PHE  66  -5.130   2.204   7.684
  489    HD2  PHE  66           HD2      PHE  66  -2.130  -0.739   6.791
  490    HE1  PHE  66           HE1      PHE  66  -6.849   0.420   7.778
  491    HE2  PHE  66           HE2      PHE  66  -3.849  -2.520   6.886
  492    HZ   PHE  66           HZ       PHE  66  -6.209  -1.942   7.381
  493    H    ARG  67           H        ARG  67  -0.089   1.764  10.044
  494    HA   ARG  67           HA       ARG  67   0.287   4.555  10.120
  495    HB2  ARG  67           HB3      ARG  67   0.528   3.004  12.069
  496    HB3  ARG  67           HB2      ARG  67   2.064   2.458  11.406
  497    HG2  ARG  67           HG3      ARG  67   2.733   4.105  12.928
  498    HG3  ARG  67           HG2      ARG  67   2.675   4.999  11.413
  499    HD2  ARG  67           HD3      ARG  67   0.407   5.808  11.970
  500    HD3  ARG  67           HD2      ARG  67   0.463   4.907  13.484
  501    HE   ARG  67           HE       ARG  67   1.835   7.430  12.929
  502   HH11  ARG  67          HH11      ARG  67   2.966   8.304  14.681
  503   HH12  ARG  67          HH12      ARG  67   3.279   7.319  16.071
  504   HH21  ARG  67          HH21      ARG  67   1.693   4.522  14.775
  505   HH22  ARG  67          HH22      ARG  67   2.558   5.177  16.124
  506    H    SER  68           H        SER  68   2.451   2.031   8.840
  507    HA   SER  68           HA       SER  68   3.962   4.207   7.467
  508    HB2  SER  68           HB3      SER  68   6.086   3.136   8.006
  509    HB3  SER  68           HB2      SER  68   5.217   3.488   9.498
  510    HG   SER  68           HG       SER  68   5.854   1.398   9.675
  511    H    ILE  69           H        ILE  69   4.962   3.542   5.483
  512    HA   ILE  69           HA       ILE  69   3.497   1.604   3.977
  513    HB   ILE  69           HB       ILE  69   6.187   2.882   3.409
  514   HG12  ILE  69          HG13      ILE  69   3.440   3.660   2.424
  515   HG13  ILE  69          HG12      ILE  69   4.234   4.433   3.787
  516   HG21  ILE  69          HG21      ILE  69   4.674   0.865   2.049
  517   HG22  ILE  69          HG22      ILE  69   6.211   1.592   1.581
  518   HG23  ILE  69          HG23      ILE  69   4.694   2.335   1.078
  519   HD11  ILE  69          HD11      ILE  69   4.532   5.119   1.094
  520   HD12  ILE  69          HD12      ILE  69   6.013   4.252   1.498
  521   HD13  ILE  69          HD13      ILE  69   5.541   5.672   2.430
  522    H    ARG  70           H        ARG  70   6.623   1.481   5.649
  523    HA   ARG  70           HA       ARG  70   7.527  -0.994   4.583
  524    HB2  ARG  70           HB3      ARG  70   9.005  -1.100   6.513
  525    HB3  ARG  70           HB2      ARG  70   8.919   0.569   5.945
  526    HG2  ARG  70           HG3      ARG  70   7.062   0.921   7.637
  527    HG3  ARG  70           HG2      ARG  70   7.486  -0.651   8.311
  528    HD2  ARG  70           HD3      ARG  70   9.834   0.161   8.607
  529    HD3  ARG  70           HD2      ARG  70   9.313   1.756   8.065
  530    HE   ARG  70           HE       ARG  70   8.388   2.096  10.203
  531   HH11  ARG  70          HH11      ARG  70   7.769   1.429  12.273
  532   HH12  ARG  70          HH12      ARG  70   7.760  -0.259  12.658
  533   HH21  ARG  70          HH21      ARG  70   8.837  -1.252   9.514
  534   HH22  ARG  70          HH22      ARG  70   8.365  -1.777  11.097
  535    H    SER  71           H        SER  71   5.439  -0.309   7.387
  536    HA   SER  71           HA       SER  71   5.283  -2.962   8.381
  537    HB2  SER  71           HB3      SER  71   3.079  -0.881   8.369
  538    HB3  SER  71           HB2      SER  71   3.228  -2.246   9.468
  539    HG   SER  71           HG       SER  71   4.023  -0.213  10.304
  540    H    ILE  72           H        ILE  72   3.410  -1.315   5.845
  541    HA   ILE  72           HA       ILE  72   1.574  -3.458   5.376
  542    HB   ILE  72           HB       ILE  72   2.577  -1.311   3.483
  543   HG12  ILE  72          HG13      ILE  72   0.103  -1.372   5.240
  544   HG13  ILE  72          HG12      ILE  72   1.575  -0.483   5.632
  545   HG21  ILE  72          HG21      ILE  72   1.372  -2.492   1.985
  546   HG22  ILE  72          HG22      ILE  72  -0.047  -1.936   2.870
  547   HG23  ILE  72          HG23      ILE  72   0.662  -3.507   3.239
  548   HD11  ILE  72          HD11      ILE  72   0.926   1.223   4.319
  549   HD12  ILE  72          HD12      ILE  72  -0.583   0.371   3.992
  550   HD13  ILE  72          HD13      ILE  72   0.809   0.137   2.935
  551    H    ASP  73           H        ASP  73   4.742  -2.646   3.996
  552    HA   ASP  73           HA       ASP  73   4.794  -4.581   1.924
  553    HB2  ASP  73           HB3      ASP  73   6.484  -2.748   2.293
  554    HB3  ASP  73           HB2      ASP  73   7.159  -3.711   3.609
  555    H    ALA  74           H        ALA  74   5.596  -4.884   5.373
  556    HA   ALA  74           HA       ALA  74   6.655  -7.537   5.212
  557    HB1  ALA  74           HB1      ALA  74   5.572  -5.798   7.384
  558    HB2  ALA  74           HB2      ALA  74   7.143  -6.590   7.260
  559    HB3  ALA  74           HB3      ALA  74   5.717  -7.525   7.713
  560    H    PHE  75           H        PHE  75   3.351  -6.341   5.782
  561    HA   PHE  75           HA       PHE  75   2.181  -8.909   6.245
  562    HB2  PHE  75           HB3      PHE  75   1.051  -6.743   6.736
  563    HB3  PHE  75           HB2      PHE  75   0.871  -6.487   5.002
  564    HD1  PHE  75           HD1      PHE  75  -0.077  -8.695   7.830
  565    HD2  PHE  75           HD2      PHE  75  -0.800  -7.639   3.729
  566    HE1  PHE  75           HE1      PHE  75  -2.129 -10.090   7.831
  567    HE2  PHE  75           HE2      PHE  75  -2.851  -9.033   3.731
  568    HZ   PHE  75           HZ       PHE  75  -3.515 -10.259   5.781
  569    H    VAL  76           H        VAL  76   2.445  -6.974   3.253
  570    HA   VAL  76           HA       VAL  76   1.211  -8.928   1.568
  571    HB   VAL  76           HB       VAL  76   3.155  -6.678   1.000
  572   HG11  VAL  76          HG11      VAL  76   2.053  -7.091  -1.379
  573   HG12  VAL  76          HG12      VAL  76   1.908  -8.738  -0.767
  574   HG13  VAL  76          HG13      VAL  76   3.494  -7.975  -0.880
  575   HG21  VAL  76          HG21      VAL  76   0.434  -6.710   1.665
  576   HG22  VAL  76          HG22      VAL  76   0.457  -6.516  -0.088
  577   HG23  VAL  76          HG23      VAL  76   1.315  -5.367   0.938
  578    H    VAL  77           H        VAL  77   4.614  -8.307   2.429
  579    HA   VAL  77           HA       VAL  77   5.780 -10.212   0.674
  580    HB   VAL  77           HB       VAL  77   6.654  -9.166   3.377
  581   HG11  VAL  77          HG11      VAL  77   8.944  -9.974   2.363
  582   HG12  VAL  77          HG12      VAL  77   7.920 -11.084   1.453
  583   HG13  VAL  77          HG13      VAL  77   7.907 -11.116   3.216
  584   HG21  VAL  77          HG21      VAL  77   8.088  -8.495   0.876
  585   HG22  VAL  77          HG22      VAL  77   7.638  -7.455   2.227
  586   HG23  VAL  77          HG23      VAL  77   6.449  -7.856   0.988
  587    H    GLY  78           H        GLY  78   4.538 -10.530   3.986
  588    HA2  GLY  78           HA3      GLY  78   5.359 -13.214   4.435
  589    HA3  GLY  78           HA2      GLY  78   3.997 -12.434   5.235
  590    H    ALA  79           H        ALA  79   2.572 -11.922   2.677
  591    HA   ALA  79           HA       ALA  79   1.554 -14.691   2.321
  592    HB1  ALA  79           HB1      ALA  79  -0.092 -13.021   3.026
  593    HB2  ALA  79           HB2      ALA  79  -0.466 -13.592   1.400
  594    HB3  ALA  79           HB3      ALA  79   0.303 -12.022   1.627
  595    H    THR  80           H        THR  80   2.308 -11.816   0.334
  596    HA   THR  80           HA       THR  80   2.938 -13.697  -1.905
  597    HB   THR  80           HB       THR  80   1.867 -12.269  -3.485
  598    HG1  THR  80           HG1      THR  80   0.875 -10.278  -2.584
  599   HG21  THR  80          HG21      THR  80   0.455 -13.534  -1.526
  600   HG22  THR  80          HG22      THR  80  -0.286 -12.738  -2.914
  601   HG23  THR  80          HG23      THR  80  -0.164 -11.890  -1.372
  602    H    THR  81           H        THR  81   4.540 -12.841  -3.423
  603    HA   THR  81           HA       THR  81   6.101 -10.529  -2.389
  604    HB   THR  81           HB       THR  81   7.362 -12.309  -1.508
  605    HG1  THR  81           HG1      THR  81   9.098 -12.549  -3.193
  606   HG21  THR  81          HG21      THR  81   6.602 -13.728  -4.057
  607   HG22  THR  81          HG22      THR  81   6.301 -14.223  -2.391
  608   HG23  THR  81          HG23      THR  81   7.933 -14.301  -3.053
  609    HA   PRO  82           HA       PRO  82   5.272 -10.136  -6.920
  610    HB2  PRO  82           HB3      PRO  82   5.648  -7.275  -6.336
  611    HB3  PRO  82           HB2      PRO  82   4.272  -8.096  -7.091
  612    HG2  PRO  82           HG3      PRO  82   4.186  -7.056  -4.602
  613    HG3  PRO  82           HG2      PRO  82   3.229  -8.459  -5.105
  614    HD2  PRO  82           HD3      PRO  82   5.693  -8.367  -3.417
  615    HD3  PRO  82           HD2      PRO  82   4.309  -9.482  -3.342
  616    HA   PRO  83           HA       PRO  83   9.282  -9.312  -8.605
  617    HB2  PRO  83           HB3      PRO  83   8.528  -6.770  -9.920
  618    HB3  PRO  83           HB2      PRO  83   9.082  -8.290 -10.642
  619    HG2  PRO  83           HG3      PRO  83   6.541  -7.454 -10.826
  620    HG3  PRO  83           HG2      PRO  83   6.977  -9.169 -10.739
  621    HD2  PRO  83           HD3      PRO  83   5.824  -7.409  -8.613
  622    HD3  PRO  83           HD2      PRO  83   5.555  -9.138  -8.920
  623    H    VAL  84           H        VAL  84  11.238  -8.131  -8.217
  624    HA   VAL  84           HA       VAL  84  10.956  -6.032  -6.128
  625    HB   VAL  84           HB       VAL  84  13.449  -7.503  -7.031
  626   HG11  VAL  84          HG11      VAL  84  12.981  -5.269  -5.299
  627   HG12  VAL  84          HG12      VAL  84  14.507  -6.079  -5.651
  628   HG13  VAL  84          HG13      VAL  84  13.500  -6.637  -4.315
  629   HG21  VAL  84          HG21      VAL  84  12.786  -8.449  -4.528
  630   HG22  VAL  84          HG22      VAL  84  12.453  -9.291  -6.041
  631   HG23  VAL  84          HG23      VAL  84  11.205  -8.292  -5.294
  632    H    GLU  85           H        GLU  85  11.408  -3.936  -6.607
  633    HA   GLU  85           HA       GLU  85  13.077  -3.349  -8.999
  634    HB2  GLU  85           HB3      GLU  85  10.435  -2.019  -8.322
  635    HB3  GLU  85           HB2      GLU  85  11.507  -1.550  -9.642
  636    HG2  GLU  85           HG3      GLU  85  11.271  -3.829 -10.611
  637    HG3  GLU  85           HG2      GLU  85  10.133  -4.234  -9.326
  638    H    ALA  86           H        ALA  86  14.015  -1.151  -8.915
  639    HA   ALA  86           HA       ALA  86  14.465  -0.321  -6.094
  640    HB1  ALA  86           HB1      ALA  86  15.959   0.227  -8.670
  641    HB2  ALA  86           HB2      ALA  86  16.515  -0.701  -7.277
  642    HB3  ALA  86           HB3      ALA  86  16.337   1.049  -7.156
  643    H    LYS  87           H        LYS  87  13.843   1.702  -5.369
  644    HA   LYS  87           HA       LYS  87  11.788   3.121  -6.722
  645    HB2  LYS  87           HB3      LYS  87  13.687   4.061  -4.552
  646    HB3  LYS  87           HB2      LYS  87  12.236   4.929  -5.055
  647    HG2  LYS  87           HG3      LYS  87  10.882   2.902  -4.498
  648    HG3  LYS  87           HG2      LYS  87  12.346   2.136  -3.880
  649    HD2  LYS  87           HD3      LYS  87  12.618   4.036  -2.282
  650    HD3  LYS  87           HD2      LYS  87  11.080   4.690  -2.847
  651    HE2  LYS  87           HE3      LYS  87  10.007   3.356  -1.387
  652    HE3  LYS  87           HE2      LYS  87  10.635   1.950  -2.249
  653    HZ1  LYS  87           HZ1      LYS  87  12.680   3.048  -0.668
  654    HZ2  LYS  87           HZ2      LYS  87  11.955   1.516  -0.547
  655    HZ3  LYS  87           HZ3      LYS  87  11.308   2.836   0.306
  656    H    LEU  88           H        LEU  88  15.298   3.561  -6.713
  657    HA   LEU  88           HA       LEU  88  14.983   5.882  -8.553
  658    HB2  LEU  88           HB3      LEU  88  16.502   6.111  -6.574
  659    HB3  LEU  88           HB2      LEU  88  17.495   4.813  -7.233
  660    HG   LEU  88           HG       LEU  88  17.748   6.178  -9.339
  661   HD11  LEU  88          HD11      LEU  88  16.126   8.065  -7.663
  662   HD12  LEU  88          HD12      LEU  88  16.023   7.736  -9.392
  663   HD13  LEU  88          HD13      LEU  88  17.336   8.728  -8.760
  664   HD21  LEU  88          HD21      LEU  88  18.692   7.610  -6.840
  665   HD22  LEU  88          HD22      LEU  88  19.476   7.589  -8.419
  666   HD23  LEU  88          HD23      LEU  88  19.424   6.122  -7.441
  667    H    GLN  89           H        GLN  89  15.384   5.623 -10.703
  668    HA   GLN  89           HA       GLN  89  16.561   3.019 -11.579
  669    HB2  GLN  89           HB3      GLN  89  14.772   4.978 -13.050
  670    HB3  GLN  89           HB2      GLN  89  15.442   3.508 -13.755
  671    HG2  GLN  89           HG3      GLN  89  14.290   2.148 -12.065
  672    HG3  GLN  89           HG2      GLN  89  13.648   3.608 -11.312
  673   HE21  GLN  89          HE21      GLN  89  11.880   1.619 -12.336
  674   HE22  GLN  89          HE22      GLN  89  11.075   2.252 -13.690
  675    H3   7V9 101          1H1       NIA 101 -10.785   2.630   7.229
  676    H4   7V9 101          2H1       NIA 101 -11.735   1.149   7.127
  677    H5   7V9 101          1HE1      NIA 101 -12.055   1.952  10.479
  678    H6   7V9 101          2HE1      NIA 101 -10.876   3.198  10.074
  679    H7   7V9 101          3HE1      NIA 101 -10.393   1.812  11.052
  680    H8   7V9 101          2HE2      NIA 101  -8.611   0.779   9.304
  681    H9   7V9 101          3HE2      NIA 101  -8.821   2.502   8.994
  682    H10  7V9 101          1HE2      NIA 101  -8.939   1.347   7.666
  683    H11  7V9 101          3H        NIA 101 -12.040  -0.258   8.895
  684    H12  7V9 101          3HO       NIA 101 -10.031   0.044  10.823
  685    H13  7V9 101          5H        NIA 101  -8.552  -1.718   9.155
  686    H14  7V9 101          1H6       NIA 101  -9.269  -3.959   9.261
  687    H15  7V9 101          2H6       NIA 101 -10.918  -3.389   9.010
  688    H16  7V9 101          1H7       NIA 101 -10.409  -3.102   6.584
  689    H17  7V9 101          2H7       NIA 101 -10.245  -4.775   7.114
  690    H18  7V9 101          9H        NIA 101  -8.921  -3.534   4.833
  691    H19  7V9 101          1H10      NIA 101  -6.663  -2.697   4.313
  692    H20  7V9 101          2H10      NIA 101  -6.077  -3.535   5.749
  693    H21  7V9 101          1H11      NIA 101  -6.817  -4.662   3.068
  694    H22  7V9 101          2H11      NIA 101  -6.977  -5.677   4.501
  695    H25  7V9 101          5H1       NIA 101  -1.582  -3.632   2.796
  696    H26  7V9 101          7H1       NIA 101  -1.915  -4.837  -1.207
  697    H27  7V9 101          8H1       NIA 101  -4.389  -4.938  -1.000
  698    H28  7V9 101          9H1       NIA 101  -5.348  -4.988   1.322
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1  11.950  -5.861   3.435
    2    H2   MET   1           H2       MET   1  10.634  -5.111   4.206
    3    H3   MET   1           H3       MET   1  12.207  -4.507   4.422
    4    HA   MET   1           HA       MET   1  10.356  -3.691   2.548
    5    HB2  MET   1           HB3      MET   1  13.349  -3.244   2.771
    6    HB3  MET   1           HB2      MET   1  12.261  -2.268   1.783
    7    HG2  MET   1           HG3      MET   1  10.930  -1.778   3.856
    8    HG3  MET   1           HG2      MET   1  12.177  -2.599   4.793
    9    HE1  MET   1           HE1      MET   1  14.519  -2.255   4.479
   10    HE2  MET   1           HE2      MET   1  15.296  -0.673   4.461
   11    HE3  MET   1           HE3      MET   1  14.941  -1.488   2.941
   12    H    GLN   2           H        GLN   2  10.828  -6.484   2.021
   13    HA   GLN   2           HA       GLN   2  12.591  -6.956  -0.159
   14    HB2  GLN   2           HB3      GLN   2   9.917  -8.256   0.448
   15    HB3  GLN   2           HB2      GLN   2  11.130  -8.896  -0.661
   16    HG2  GLN   2           HG3      GLN   2  11.557  -8.391   2.299
   17    HG3  GLN   2           HG2      GLN   2  11.293  -9.971   1.561
   18   HE21  GLN   2          HE21      GLN   2  13.755  -8.344   2.845
   19   HE22  GLN   2          HE22      GLN   2  15.020  -8.763   1.794
   20    H    HIS   3           H        HIS   3   9.273  -5.711  -0.077
   21    HA   HIS   3           HA       HIS   3   9.640  -4.830  -2.897
   22    HB2  HIS   3           HB3      HIS   3   7.085  -6.109  -1.880
   23    HB3  HIS   3           HB2      HIS   3   7.438  -5.603  -3.533
   24    HD1  HIS   3           HD1      HIS   3   9.729  -6.864  -4.543
   25    HD2  HIS   3           HD2      HIS   3   7.643  -8.783  -1.483
   26    HE1  HIS   3           HE1      HIS   3  10.438  -9.295  -4.608
   27    HE2  HIS   3           HE2      HIS   3   9.174 -10.472  -2.750
   28    H    ALA   4           H        ALA   4   9.676  -3.503  -0.216
   29    HA   ALA   4           HA       ALA   4   7.266  -2.074   0.265
   30    HB1  ALA   4           HB1      ALA   4   8.763  -1.806   2.003
   31    HB2  ALA   4           HB2      ALA   4   9.046  -0.295   1.139
   32    HB3  ALA   4           HB3      ALA   4  10.150  -1.652   0.924
   33    H    SER   5           H        SER   5   9.915  -1.444  -2.007
   34    HA   SER   5           HA       SER   5   9.224   1.223  -2.694
   35    HB2  SER   5           HB3      SER   5  10.311  -0.900  -4.562
   36    HB3  SER   5           HB2      SER   5  10.443   0.844  -4.766
   37    HG   SER   5           HG       SER   5  11.977  -0.839  -3.322
   38    H    VAL   6           H        VAL   6   7.983  -1.867  -3.919
   39    HA   VAL   6           HA       VAL   6   6.316  -0.747  -5.966
   40    HB   VAL   6           HB       VAL   6   6.086  -3.313  -4.385
   41   HG11  VAL   6          HG11      VAL   6   4.722  -3.701  -6.738
   42   HG12  VAL   6          HG12      VAL   6   4.282  -2.041  -6.334
   43   HG13  VAL   6          HG13      VAL   6   3.961  -3.343  -5.189
   44   HG21  VAL   6          HG21      VAL   6   6.639  -3.611  -7.186
   45   HG22  VAL   6          HG22      VAL   6   7.650  -4.074  -5.817
   46   HG23  VAL   6          HG23      VAL   6   7.782  -2.454  -6.504
   47    H    ILE   7           H        ILE   7   5.840  -1.367  -2.534
   48    HA   ILE   7           HA       ILE   7   3.035  -0.829  -2.443
   49    HB   ILE   7           HB       ILE   7   5.086  -0.343  -0.282
   50   HG12  ILE   7          HG13      ILE   7   5.379  -2.603  -1.036
   51   HG13  ILE   7          HG12      ILE   7   4.418  -2.669   0.437
   52   HG21  ILE   7          HG21      ILE   7   2.189  -1.144   0.011
   53   HG22  ILE   7          HG22      ILE   7   2.699   0.546  -0.012
   54   HG23  ILE   7          HG23      ILE   7   3.280  -0.534   1.253
   55   HD11  ILE   7          HD11      ILE   7   2.373  -2.576  -1.147
   56   HD12  ILE   7          HD12      ILE   7   3.254  -4.097  -1.009
   57   HD13  ILE   7          HD13      ILE   7   3.519  -3.047  -2.401
   58    H    ALA   8           H        ALA   8   5.853   1.305  -1.962
   59    HA   ALA   8           HA       ALA   8   4.338   3.623  -1.288
   60    HB1  ALA   8           HB1      ALA   8   6.696   3.601  -0.834
   61    HB2  ALA   8           HB2      ALA   8   6.413   4.871  -2.025
   62    HB3  ALA   8           HB3      ALA   8   7.078   3.318  -2.532
   63    H    GLN   9           H        GLN   9   5.703   2.652  -4.458
   64    HA   GLN   9           HA       GLN   9   4.479   4.881  -5.827
   65    HB2  GLN   9           HB3      GLN   9   4.991   3.528  -7.906
   66    HB3  GLN   9           HB2      GLN   9   6.382   3.845  -6.871
   67    HG2  GLN   9           HG3      GLN   9   6.740   1.636  -6.701
   68    HG3  GLN   9           HG2      GLN   9   5.162   1.455  -5.938
   69   HE21  GLN   9          HE21      GLN   9   3.247   1.395  -7.592
   70   HE22  GLN   9          HE22      GLN   9   3.524   0.551  -9.039
   71    H    PHE  10           H        PHE  10   3.528   1.509  -5.294
   72    HA   PHE  10           HA       PHE  10   1.205   1.576  -6.972
   73    HB2  PHE  10           HB3      PHE  10   2.256  -0.513  -6.097
   74    HB3  PHE  10           HB2      PHE  10   1.668  -0.097  -4.487
   75    HD1  PHE  10           HD1      PHE  10  -0.662  -0.319  -3.898
   76    HD2  PHE  10           HD2      PHE  10   0.659  -1.050  -7.919
   77    HE1  PHE  10           HE1      PHE  10  -2.859  -1.337  -4.434
   78    HE2  PHE  10           HE2      PHE  10  -1.538  -2.067  -8.456
   79    HZ   PHE  10           HZ       PHE  10  -3.298  -2.211  -6.713
   80    H    VAL  11           H        VAL  11   1.531   1.981  -3.432
   81    HA   VAL  11           HA       VAL  11  -1.246   2.636  -3.046
   82    HB   VAL  11           HB       VAL  11   0.493   1.891  -1.283
   83   HG11  VAL  11          HG11      VAL  11   0.933   4.875  -1.076
   84   HG12  VAL  11          HG12      VAL  11   2.047   3.821  -1.944
   85   HG13  VAL  11          HG13      VAL  11   1.782   3.590  -0.218
   86   HG21  VAL  11          HG21      VAL  11  -1.704   3.877  -1.066
   87   HG22  VAL  11          HG22      VAL  11  -0.661   3.721   0.348
   88   HG23  VAL  11          HG23      VAL  11  -1.521   2.311  -0.273
   89    H    VAL  12           H        VAL  12   1.664   4.618  -3.524
   90    HA   VAL  12           HA       VAL  12   0.366   7.145  -3.145
   91    HB   VAL  12           HB       VAL  12   2.828   6.395  -4.723
   92   HG11  VAL  12          HG11      VAL  12   1.432   8.983  -4.268
   93   HG12  VAL  12          HG12      VAL  12   2.426   8.465  -5.628
   94   HG13  VAL  12          HG13      VAL  12   3.190   8.990  -4.129
   95   HG21  VAL  12          HG21      VAL  12   2.813   7.905  -2.137
   96   HG22  VAL  12          HG22      VAL  12   4.039   6.817  -2.787
   97   HG23  VAL  12          HG23      VAL  12   2.557   6.162  -2.092
   98    H    GLU  13           H        GLU  13   0.931   5.143  -6.014
   99    HA   GLU  13           HA       GLU  13   0.070   6.913  -8.010
  100    HB2  GLU  13           HB3      GLU  13   0.994   4.629  -8.416
  101    HB3  GLU  13           HB2      GLU  13  -0.548   3.960  -7.893
  102    HG2  GLU  13           HG3      GLU  13  -1.689   5.264  -9.679
  103    HG3  GLU  13           HG2      GLU  13  -0.111   5.812 -10.237
  104    H    GLU  14           H        GLU  14  -1.832   5.129  -5.659
  105    HA   GLU  14           HA       GLU  14  -4.385   5.471  -6.922
  106    HB2  GLU  14           HB3      GLU  14  -3.657   5.179  -3.992
  107    HB3  GLU  14           HB2      GLU  14  -5.299   5.074  -4.630
  108    HG2  GLU  14           HG3      GLU  14  -4.594   3.192  -6.087
  109    HG3  GLU  14           HG2      GLU  14  -2.978   3.273  -5.384
  110    H    PHE  15           H        PHE  15  -2.403   7.569  -4.914
  111    HA   PHE  15           HA       PHE  15  -4.276   9.787  -5.518
  112    HB2  PHE  15           HB3      PHE  15  -4.368  10.534  -3.212
  113    HB3  PHE  15           HB2      PHE  15  -4.899   8.853  -3.270
  114    HD1  PHE  15           HD1      PHE  15  -3.234   7.020  -2.705
  115    HD2  PHE  15           HD2      PHE  15  -2.466  11.176  -1.935
  116    HE1  PHE  15           HE1      PHE  15  -1.449   6.394  -1.100
  117    HE2  PHE  15           HE2      PHE  15  -0.681  10.550  -0.334
  118    HZ   PHE  15           HZ       PHE  15  -0.172   8.159   0.084
  119    H    LEU  16           H        LEU  16  -1.758   9.308  -6.685
  120    HA   LEU  16           HA       LEU  16   0.245  10.848  -5.249
  121    HB2  LEU  16           HB3      LEU  16   1.744  10.218  -6.891
  122    HB3  LEU  16           HB2      LEU  16   0.602   8.893  -6.951
  123    HG   LEU  16           HG       LEU  16   0.574  11.292  -8.811
  124   HD11  LEU  16          HD11      LEU  16   1.450   9.798 -10.482
  125   HD12  LEU  16          HD12      LEU  16   1.347   8.426  -9.379
  126   HD13  LEU  16          HD13      LEU  16   2.510   9.716  -9.075
  127   HD21  LEU  16          HD21      LEU  16  -1.155  10.130 -10.013
  128   HD22  LEU  16          HD22      LEU  16  -1.652  10.101  -8.324
  129   HD23  LEU  16          HD23      LEU  16  -0.931   8.672  -9.052
  130    HA   PRO  17           HA       PRO  17  -1.232  14.718  -6.961
  131    HB2  PRO  17           HB3      PRO  17   0.690  16.359  -5.955
  132    HB3  PRO  17           HB2      PRO  17  -0.582  15.662  -4.937
  133    HG2  PRO  17           HG3      PRO  17   2.253  14.825  -5.258
  134    HG3  PRO  17           HG2      PRO  17   1.255  14.897  -3.798
  135    HD2  PRO  17           HD3      PRO  17   1.768  12.571  -5.188
  136    HD3  PRO  17           HD2      PRO  17   0.337  12.828  -4.168
  137    H    ASP  18           H        ASP  18   0.752  16.747  -7.669
  138    HA   ASP  18           HA       ASP  18   1.531  15.708 -10.277
  139    HB2  ASP  18           HB3      ASP  18   2.001  18.364  -8.911
  140    HB3  ASP  18           HB2      ASP  18   2.482  18.012 -10.566
  141    H    VAL  19           H        VAL  19   2.776  14.854  -7.540
  142    HA   VAL  19           HA       VAL  19   5.632  15.325  -8.303
  143    HB   VAL  19           HB       VAL  19   4.498  14.552  -5.600
  144   HG11  VAL  19          HG11      VAL  19   7.249  15.143  -6.666
  145   HG12  VAL  19          HG12      VAL  19   6.724  13.816  -5.629
  146   HG13  VAL  19          HG13      VAL  19   6.871  15.446  -4.971
  147   HG21  VAL  19          HG21      VAL  19   4.788  16.840  -4.947
  148   HG22  VAL  19          HG22      VAL  19   3.906  16.880  -6.472
  149   HG23  VAL  19          HG23      VAL  19   5.634  17.230  -6.443
  150    H    ALA  20           H        ALA  20   6.887  13.537  -8.740
  151    HA   ALA  20           HA       ALA  20   5.576  10.974  -9.055
  152    HB1  ALA  20           HB1      ALA  20   7.368  10.468 -10.347
  153    HB2  ALA  20           HB2      ALA  20   8.510  10.950  -9.091
  154    HB3  ALA  20           HB3      ALA  20   7.805  12.167 -10.155
  155    HA   PRO  21           HA       PRO  21   6.127   9.317  -4.936
  156    HB2  PRO  21           HB3      PRO  21   7.072   6.830  -6.270
  157    HB3  PRO  21           HB2      PRO  21   5.774   7.049  -5.083
  158    HG2  PRO  21           HG3      PRO  21   5.326   6.624  -7.712
  159    HG3  PRO  21           HG2      PRO  21   4.229   7.539  -6.668
  160    HD2  PRO  21           HD3      PRO  21   5.991   8.520  -8.821
  161    HD3  PRO  21           HD2      PRO  21   4.566   9.280  -8.081
  162    H    ALA  22           H        ALA  22   8.645   8.880  -7.371
  163    HA   ALA  22           HA       ALA  22  10.758   8.124  -5.579
  164    HB1  ALA  22           HB1      ALA  22  11.315   7.715  -7.797
  165    HB2  ALA  22           HB2      ALA  22  12.160   9.241  -7.535
  166    HB3  ALA  22           HB3      ALA  22  10.601   9.226  -8.362
  167    H    ASP  23           H        ASP  23   9.228  11.143  -6.285
  168    HA   ASP  23           HA       ASP  23  11.440  12.689  -5.050
  169    HB2  ASP  23           HB3      ASP  23   8.859  13.545  -6.392
  170    HB3  ASP  23           HB2      ASP  23  10.016  14.666  -5.674
  171    H    VAL  24           H        VAL  24   8.927  10.903  -3.995
  172    HA   VAL  24           HA       VAL  24   8.192  12.785  -1.801
  173    HB   VAL  24           HB       VAL  24   6.913  10.146  -2.590
  174   HG11  VAL  24          HG11      VAL  24   5.180  11.879  -1.143
  175   HG12  VAL  24          HG12      VAL  24   6.705  11.809  -0.259
  176   HG13  VAL  24          HG13      VAL  24   5.830  10.323  -0.627
  177   HG21  VAL  24          HG21      VAL  24   6.471  11.668  -4.368
  178   HG22  VAL  24          HG22      VAL  24   6.264  13.023  -3.259
  179   HG23  VAL  24          HG23      VAL  24   5.045  11.752  -3.334
  180    H    ASP  25           H        ASP  25   8.824  12.296   0.292
  181    HA   ASP  25           HA       ASP  25  10.885  10.299   0.638
  182    HB2  ASP  25           HB3      ASP  25  10.722  12.439   1.956
  183    HB3  ASP  25           HB2      ASP  25   9.328  11.755   2.795
  184    H    VAL  26           H        VAL  26  10.072   8.234   0.234
  185    HA   VAL  26           HA       VAL  26   7.554   7.236   1.117
  186    HB   VAL  26           HB       VAL  26   8.487   5.015   0.723
  187   HG11  VAL  26          HG11      VAL  26   9.333   5.344  -1.565
  188   HG12  VAL  26          HG12      VAL  26   9.631   7.047  -1.218
  189   HG13  VAL  26          HG13      VAL  26   7.979   6.429  -1.245
  190   HG21  VAL  26          HG21      VAL  26  11.101   6.510   0.948
  191   HG22  VAL  26          HG22      VAL  26  11.001   4.968   0.098
  192   HG23  VAL  26          HG23      VAL  26  10.590   5.058   1.810
  193    H    ASP  27           H        ASP  27   9.994   8.379   3.009
  194    HA   ASP  27           HA       ASP  27   9.699   6.372   5.167
  195    HB2  ASP  27           HB3      ASP  27  11.333   8.924   4.979
  196    HB3  ASP  27           HB2      ASP  27  11.330   7.844   6.373
  197    H    LEU  28           H        LEU  28   7.787   8.680   4.033
  198    HA   LEU  28           HA       LEU  28   7.153  10.044   6.579
  199    HB2  LEU  28           HB3      LEU  28   7.116  11.268   4.392
  200    HB3  LEU  28           HB2      LEU  28   5.782  10.239   3.880
  201    HG   LEU  28           HG       LEU  28   4.760  11.062   6.218
  202   HD11  LEU  28          HD11      LEU  28   6.711  12.393   6.847
  203   HD12  LEU  28          HD12      LEU  28   5.336  13.457   6.550
  204   HD13  LEU  28          HD13      LEU  28   6.606  13.299   5.337
  205   HD21  LEU  28          HD21      LEU  28   4.765  12.360   3.502
  206   HD22  LEU  28          HD22      LEU  28   3.834  13.073   4.820
  207   HD23  LEU  28          HD23      LEU  28   3.486  11.429   4.282
  208    H    ASP  29           H        ASP  29   5.454   9.442   7.875
  209    HA   ASP  29           HA       ASP  29   4.142   6.923   7.417
  210    HB2  ASP  29           HB3      ASP  29   3.494   9.200   9.319
  211    HB3  ASP  29           HB2      ASP  29   2.693   7.628   9.351
  212    H    LEU  30           H        LEU  30   2.493   6.583   6.007
  213    HA   LEU  30           HA       LEU  30   1.206   8.819   4.685
  214    HB2  LEU  30           HB3      LEU  30  -0.044   7.113   3.460
  215    HB3  LEU  30           HB2      LEU  30   1.654   6.647   3.550
  216    HG   LEU  30           HG       LEU  30   0.465   5.607   5.875
  217   HD11  LEU  30          HD11      LEU  30  -1.179   4.917   3.425
  218   HD12  LEU  30          HD12      LEU  30  -1.722   6.014   4.696
  219   HD13  LEU  30          HD13      LEU  30  -1.418   4.317   5.067
  220   HD21  LEU  30          HD21      LEU  30   0.956   3.434   4.762
  221   HD22  LEU  30          HD22      LEU  30   2.286   4.579   4.595
  222   HD23  LEU  30          HD23      LEU  30   1.195   4.292   3.239
  223    H    VAL  31           H        VAL  31   0.790   7.914   7.732
  224    HA   VAL  31           HA       VAL  31  -1.933   7.326   8.128
  225    HB   VAL  31           HB       VAL  31  -0.070   7.592   9.893
  226   HG11  VAL  31          HG11      VAL  31   0.290   9.748  10.832
  227   HG12  VAL  31          HG12      VAL  31  -1.081  10.439   9.964
  228   HG13  VAL  31          HG13      VAL  31   0.383   9.990   9.088
  229   HG21  VAL  31          HG21      VAL  31  -2.316   7.062  10.588
  230   HG22  VAL  31          HG22      VAL  31  -2.859   8.713  10.287
  231   HG23  VAL  31          HG23      VAL  31  -1.757   8.377  11.622
  232    H    ASP  32           H        ASP  32  -0.367  10.427   7.463
  233    HA   ASP  32           HA       ASP  32  -2.641  12.106   7.793
  234    HB2  ASP  32           HB3      ASP  32  -0.326  12.307   5.837
  235    HB3  ASP  32           HB2      ASP  32  -1.500  13.594   6.113
  236    H    ASN  33           H        ASN  33  -1.576  10.019   5.180
  237    HA   ASN  33           HA       ASN  33  -3.798  10.797   3.427
  238    HB2  ASN  33           HB3      ASN  33  -1.792   8.550   3.157
  239    HB3  ASN  33           HB2      ASN  33  -2.878   9.124   1.896
  240   HD21  ASN  33          HD21      ASN  33   0.246   9.238   2.480
  241   HD22  ASN  33          HD22      ASN  33   0.629  10.831   2.039
  242    H    GLY  34           H        GLY  34  -4.004   9.424   6.183
  243    HA2  GLY  34           HA3      GLY  34  -4.863   6.806   6.139
  244    HA3  GLY  34           HA2      GLY  34  -5.670   8.038   7.112
  245    H    VAL  35           H        VAL  35  -6.161   9.359   4.291
  246    HA   VAL  35           HA       VAL  35  -8.887   8.731   4.039
  247    HB   VAL  35           HB       VAL  35  -6.882   9.605   1.943
  248   HG11  VAL  35          HG11      VAL  35  -9.704   8.796   1.696
  249   HG12  VAL  35          HG12      VAL  35  -8.472   8.976   0.447
  250   HG13  VAL  35          HG13      VAL  35  -9.351  10.390   1.029
  251   HG21  VAL  35          HG21      VAL  35  -7.340  11.168   3.821
  252   HG22  VAL  35          HG22      VAL  35  -9.061  11.092   3.444
  253   HG23  VAL  35          HG23      VAL  35  -7.934  11.798   2.285
  254    H    ILE  36           H        ILE  36  -6.072   7.092   2.683
  255    HA   ILE  36           HA       ILE  36  -7.548   5.303   0.971
  256    HB   ILE  36           HB       ILE  36  -5.006   5.866   0.976
  257   HG12  ILE  36          HG13      ILE  36  -6.260   3.157   0.573
  258   HG13  ILE  36          HG12      ILE  36  -5.715   4.314  -0.642
  259   HG21  ILE  36          HG21      ILE  36  -4.921   5.084   3.452
  260   HG22  ILE  36          HG22      ILE  36  -3.613   4.575   2.383
  261   HG23  ILE  36          HG23      ILE  36  -4.915   3.453   2.784
  262   HD11  ILE  36          HD11      ILE  36  -3.358   3.895   0.498
  263   HD12  ILE  36          HD12      ILE  36  -3.975   2.782  -0.724
  264   HD13  ILE  36          HD13      ILE  36  -4.114   2.379   0.988
  265    H    ASP  37           H        ASP  37  -6.837   5.338   4.372
  266    HA   ASP  37           HA       ASP  37  -6.950   2.606   5.016
  267    HB2  ASP  37           HB3      ASP  37  -8.033   4.967   6.576
  268    HB3  ASP  37           HB2      ASP  37  -7.808   3.352   7.236
  269    H    SER  38           H        SER  38  -9.608   4.798   4.218
  270    HA   SER  38           HA       SER  38 -11.485   2.500   4.603
  271    HB2  SER  38          2HB       SER  38 -11.604   5.069   5.677
  272    HB3  SER  38          1HB       SER  38 -12.761   5.097   4.351
  273    H    LEU  39           H        LEU  39 -11.432   5.515   2.664
  274    HA   LEU  39           HA       LEU  39 -13.111   4.467   0.619
  275    HB2  LEU  39           HB3      LEU  39 -11.025   6.617   0.291
  276    HB3  LEU  39           HB2      LEU  39 -12.482   6.399  -0.669
  277    HG   LEU  39           HG       LEU  39 -12.276   7.245   2.216
  278   HD11  LEU  39          HD11      LEU  39 -13.592   9.157   1.393
  279   HD12  LEU  39          HD12      LEU  39 -13.606   8.445  -0.221
  280   HD13  LEU  39          HD13      LEU  39 -12.087   8.989   0.489
  281   HD21  LEU  39          HD21      LEU  39 -14.632   6.160   0.669
  282   HD22  LEU  39          HD22      LEU  39 -14.851   7.253   2.035
  283   HD23  LEU  39          HD23      LEU  39 -14.069   5.691   2.275
  284    H    GLY  40           H        GLY  40  -9.577   4.902   0.630
  285    HA2  GLY  40           HA3      GLY  40  -9.233   3.508  -1.875
  286    HA3  GLY  40           HA2      GLY  40  -7.950   3.906  -0.740
  287    H    LEU  41           H        LEU  41  -9.096   2.552   1.531
  288    HA   LEU  41           HA       LEU  41  -8.021  -0.054   1.167
  289    HB2  LEU  41           HB3      LEU  41  -8.320   0.982   3.386
  290    HB3  LEU  41           HB2      LEU  41 -10.068   0.862   3.215
  291    HG   LEU  41           HG       LEU  41  -8.291  -1.570   2.957
  292   HD11  LEU  41          HD11      LEU  41  -8.532  -2.027   5.301
  293   HD12  LEU  41          HD12      LEU  41  -9.607  -0.646   5.523
  294   HD13  LEU  41          HD13      LEU  41  -7.901  -0.386   5.162
  295   HD21  LEU  41          HD21      LEU  41 -10.314  -2.460   2.457
  296   HD22  LEU  41          HD22      LEU  41 -11.178  -1.024   2.997
  297   HD23  LEU  41          HD23      LEU  41 -10.702  -2.255   4.162
  298    H    LEU  42           H        LEU  42 -11.358   1.128   0.989
  299    HA   LEU  42           HA       LEU  42 -12.592  -1.422   0.613
  300    HB2  LEU  42           HB3      LEU  42 -13.817   0.725   1.076
  301    HB3  LEU  42           HB2      LEU  42 -13.468   1.227  -0.570
  302    HG   LEU  42           HG       LEU  42 -14.554  -1.051  -1.242
  303   HD11  LEU  42          HD11      LEU  42 -15.690  -2.212   0.340
  304   HD12  LEU  42          HD12      LEU  42 -16.303  -0.745   1.100
  305   HD13  LEU  42          HD13      LEU  42 -14.687  -1.328   1.489
  306   HD21  LEU  42          HD21      LEU  42 -15.835   0.687  -2.002
  307   HD22  LEU  42          HD22      LEU  42 -15.760   1.547  -0.464
  308   HD23  LEU  42          HD23      LEU  42 -16.895   0.212  -0.674
  309    H    LYS  43           H        LYS  43 -11.270   0.928  -1.721
  310    HA   LYS  43           HA       LYS  43 -11.922  -0.628  -4.048
  311    HB2  LYS  43           HB3      LYS  43  -9.822   1.494  -3.594
  312    HB3  LYS  43           HB2      LYS  43 -10.248   0.841  -5.171
  313    HG2  LYS  43           HG3      LYS  43 -12.609   1.555  -4.784
  314    HG3  LYS  43           HG2      LYS  43 -12.097   2.313  -3.275
  315    HD2  LYS  43           HD3      LYS  43 -10.478   3.705  -4.574
  316    HD3  LYS  43           HD2      LYS  43 -11.127   3.013  -6.062
  317    HE2  LYS  43           HE3      LYS  43 -13.427   3.805  -4.839
  318    HE3  LYS  43           HE2      LYS  43 -12.308   5.032  -4.247
  319    HZ1  LYS  43           HZ1      LYS  43 -13.516   4.939  -6.724
  320    HZ2  LYS  43           HZ2      LYS  43 -11.889   4.541  -7.006
  321    HZ3  LYS  43           HZ3      LYS  43 -12.286   5.997  -6.226
  322    H    VAL  44           H        VAL  44  -9.019  -0.409  -2.008
  323    HA   VAL  44           HA       VAL  44  -7.382  -2.122  -3.621
  324    HB   VAL  44           HB       VAL  44  -7.297  -1.491  -0.660
  325   HG11  VAL  44          HG11      VAL  44  -6.135  -3.573  -0.970
  326   HG12  VAL  44          HG12      VAL  44  -4.905  -2.312  -0.884
  327   HG13  VAL  44          HG13      VAL  44  -5.364  -2.991  -2.446
  328   HG21  VAL  44          HG21      VAL  44  -6.335   0.434  -1.328
  329   HG22  VAL  44          HG22      VAL  44  -6.623  -0.020  -3.009
  330   HG23  VAL  44          HG23      VAL  44  -5.113  -0.473  -2.218
  331    H    ILE  45           H        ILE  45  -9.514  -2.804  -0.850
  332    HA   ILE  45           HA       ILE  45  -8.887  -5.556  -0.583
  333    HB   ILE  45           HB       ILE  45 -11.101  -3.762   0.213
  334   HG12  ILE  45          HG13      ILE  45 -10.666  -4.721   2.370
  335   HG13  ILE  45          HG12      ILE  45  -9.812  -6.089   1.660
  336   HG21  ILE  45          HG21      ILE  45 -12.458  -5.780   0.969
  337   HG22  ILE  45          HG22      ILE  45 -11.488  -6.741  -0.145
  338   HG23  ILE  45          HG23      ILE  45 -12.505  -5.436  -0.758
  339   HD11  ILE  45          HD11      ILE  45  -7.886  -4.895   1.349
  340   HD12  ILE  45          HD12      ILE  45  -8.550  -3.903   2.645
  341   HD13  ILE  45          HD13      ILE  45  -8.751  -3.407   0.968
  342    H    ALA  46           H        ALA  46 -11.497  -4.016  -2.496
  343    HA   ALA  46           HA       ALA  46 -12.404  -6.480  -3.660
  344    HB1  ALA  46           HB1      ALA  46 -13.661  -4.269  -3.619
  345    HB2  ALA  46           HB2      ALA  46 -13.672  -5.106  -5.171
  346    HB3  ALA  46           HB3      ALA  46 -12.597  -3.731  -4.919
  347    H    TRP  47           H        TRP  47  -9.967  -4.099  -4.638
  348    HA   TRP  47           HA       TRP  47  -9.468  -5.270  -7.228
  349    HB2  TRP  47           HB3      TRP  47  -8.710  -3.040  -6.950
  350    HB3  TRP  47           HB2      TRP  47  -7.890  -3.421  -5.435
  351    HD1  TRP  47           HD1      TRP  47  -7.643  -4.225  -9.203
  352    HE1  TRP  47           HE1      TRP  47  -5.175  -4.725  -9.758
  353    HE3  TRP  47           HE3      TRP  47  -5.618  -3.983  -4.522
  354    HZ2  TRP  47           HZ2      TRP  47  -2.672  -4.985  -8.397
  355    HZ3  TRP  47           HZ3      TRP  47  -3.193  -4.360  -4.179
  356    HH2  TRP  47           HH2      TRP  47  -1.719  -4.860  -6.109
  357    H    LEU  48           H        LEU  48  -7.921  -5.629  -4.041
  358    HA   LEU  48           HA       LEU  48  -5.815  -7.333  -4.832
  359    HB2  LEU  48           HB3      LEU  48  -6.133  -6.297  -2.554
  360    HB3  LEU  48           HB2      LEU  48  -7.370  -7.502  -2.240
  361    HG   LEU  48           HG       LEU  48  -5.531  -9.213  -2.929
  362   HD11  LEU  48          HD11      LEU  48  -3.391  -8.479  -3.106
  363   HD12  LEU  48          HD12      LEU  48  -3.578  -7.345  -1.769
  364   HD13  LEU  48          HD13      LEU  48  -4.124  -6.901  -3.384
  365   HD21  LEU  48          HD21      LEU  48  -6.079  -9.483  -0.725
  366   HD22  LEU  48          HD22      LEU  48  -6.021  -7.751  -0.399
  367   HD23  LEU  48          HD23      LEU  48  -4.528  -8.689  -0.454
  368    H    GLU  49           H        GLU  49  -9.108  -8.179  -3.741
  369    HA   GLU  49           HA       GLU  49  -8.742 -11.013  -4.150
  370    HB2  GLU  49           HB3      GLU  49 -10.512 -10.124  -2.684
  371    HB3  GLU  49           HB2      GLU  49 -11.289  -9.366  -4.066
  372    HG2  GLU  49           HG3      GLU  49 -11.569 -11.598  -5.100
  373    HG3  GLU  49           HG2      GLU  49 -10.862 -12.331  -3.668
  374    H    ASP  50           H        ASP  50  -9.957  -8.363  -6.150
  375    HA   ASP  50           HA       ASP  50 -10.928  -9.950  -8.311
  376    HB2  ASP  50           HB3      ASP  50 -11.369  -7.504  -7.951
  377    HB3  ASP  50           HB2      ASP  50  -9.718  -7.191  -8.485
  378    H    ARG  51           H        ARG  51  -7.722  -8.538  -7.702
  379    HA   ARG  51           HA       ARG  51  -6.686  -9.657 -10.213
  380    HB2  ARG  51           HB3      ARG  51  -5.947  -7.437  -9.360
  381    HB3  ARG  51           HB2      ARG  51  -5.201  -8.248  -7.982
  382    HG2  ARG  51           HG3      ARG  51  -3.774  -9.550  -9.514
  383    HG3  ARG  51           HG2      ARG  51  -4.515  -8.739 -10.894
  384    HD2  ARG  51           HD3      ARG  51  -3.733  -6.553  -9.977
  385    HD3  ARG  51           HD2      ARG  51  -2.903  -7.425  -8.688
  386    HE   ARG  51           HE       ARG  51  -1.832  -8.619 -10.870
  387   HH11  ARG  51          HH11      ARG  51  -0.123  -7.827 -12.116
  388   HH12  ARG  51          HH12      ARG  51   0.152  -6.118 -12.201
  389   HH21  ARG  51          HH21      ARG  51  -2.501  -5.318 -10.118
  390   HH22  ARG  51          HH22      ARG  51  -1.193  -4.700 -11.070
  391    H    PHE  52           H        PHE  52  -5.808 -10.066  -6.750
  392    HA   PHE  52           HA       PHE  52  -4.167 -12.383  -7.386
  393    HB2  PHE  52           HB3      PHE  52  -5.058 -11.145  -4.776
  394    HB3  PHE  52           HB2      PHE  52  -3.994 -12.546  -4.872
  395    HD1  PHE  52           HD1      PHE  52  -4.275  -8.937  -5.332
  396    HD2  PHE  52           HD2      PHE  52  -1.758 -12.360  -5.951
  397    HE1  PHE  52           HE1      PHE  52  -2.336  -7.440  -5.716
  398    HE2  PHE  52           HE2      PHE  52   0.182 -10.864  -6.335
  399    HZ   PHE  52           HZ       PHE  52  -0.107  -8.404  -6.217
  400    H    GLY  53           H        GLY  53  -7.512 -11.932  -6.486
  401    HA2  GLY  53           HA3      GLY  53  -9.205 -13.605  -6.468
  402    HA3  GLY  53           HA2      GLY  53  -7.960 -14.806  -6.805
  403    H    ILE  54           H        ILE  54  -7.531 -12.567  -4.181
  404    HA   ILE  54           HA       ILE  54  -7.824 -14.840  -2.272
  405    HB   ILE  54           HB       ILE  54  -6.369 -12.201  -1.935
  406   HG12  ILE  54          HG13      ILE  54  -5.183 -14.956  -2.343
  407   HG13  ILE  54          HG12      ILE  54  -5.457 -13.835  -3.676
  408   HG21  ILE  54          HG21      ILE  54  -5.282 -13.706  -0.074
  409   HG22  ILE  54          HG22      ILE  54  -6.776 -14.632  -0.218
  410   HG23  ILE  54          HG23      ILE  54  -6.835 -12.929   0.236
  411   HD11  ILE  54          HD11      ILE  54  -3.141 -13.678  -2.779
  412   HD12  ILE  54          HD12      ILE  54  -3.805 -13.216  -1.211
  413   HD13  ILE  54          HD13      ILE  54  -4.031 -12.165  -2.609
  414    H    ALA  55           H        ALA  55  -9.122 -14.581  -0.424
  415    HA   ALA  55           HA       ALA  55 -11.399 -12.884  -0.643
  416    HB1  ALA  55           HB1      ALA  55 -10.395 -14.870   1.208
  417    HB2  ALA  55           HB2      ALA  55 -12.060 -14.371   0.915
  418    HB3  ALA  55           HB3      ALA  55 -11.074 -13.502   2.091
  419    H    ALA  56           H        ALA  56 -11.964 -11.009   0.599
  420    HA   ALA  56           HA       ALA  56  -9.969  -9.017   0.792
  421    HB1  ALA  56           HB1      ALA  56 -11.628  -7.676   1.939
  422    HB2  ALA  56           HB2      ALA  56 -12.539  -9.116   2.397
  423    HB3  ALA  56           HB3      ALA  56 -12.456  -8.628   0.704
  424    H    ASP  57           H        ASP  57 -11.003 -11.430   3.119
  425    HA   ASP  57           HA       ASP  57 -10.202 -11.941   5.262
  426    HB2  ASP  57           HB3      ASP  57  -7.773 -10.530   4.139
  427    HB3  ASP  57           HB2      ASP  57  -7.779 -11.469   5.629
  428    H    ASP  58           H        ASP  58 -11.844  -9.716   5.206
  429    HA   ASP  58           HA       ASP  58 -10.504  -7.546   6.684
  430    HB2  ASP  58           HB3      ASP  58 -12.670  -6.417   6.569
  431    HB3  ASP  58           HB2      ASP  58 -12.247  -7.040   4.976
  432    H    VAL  59           H        VAL  59 -11.222 -10.467   7.659
  433    HA   VAL  59           HA       VAL  59 -13.087 -10.323   9.758
  434    HB   VAL  59           HB       VAL  59 -10.510 -11.878   9.537
  435   HG11  VAL  59          HG11      VAL  59 -10.852 -11.937  11.842
  436   HG12  VAL  59          HG12      VAL  59 -11.808 -13.321  11.316
  437   HG13  VAL  59          HG13      VAL  59 -12.602 -11.791  11.685
  438   HG21  VAL  59          HG21      VAL  59 -12.603 -12.203   7.987
  439   HG22  VAL  59          HG22      VAL  59 -13.308 -12.970   9.411
  440   HG23  VAL  59          HG23      VAL  59 -11.832 -13.620   8.698
  441    H    GLU  60           H        GLU  60  -9.643  -9.447   9.766
  442    HA   GLU  60           HA       GLU  60 -10.120  -8.050  12.372
  443    HB2  GLU  60           HB3      GLU  60  -8.594 -10.016  12.567
  444    HB3  GLU  60           HB2      GLU  60  -7.517  -9.255  11.401
  445    HG2  GLU  60           HG3      GLU  60  -7.319  -7.297  12.899
  446    HG3  GLU  60           HG2      GLU  60  -8.330  -8.120  14.078
  447    H    LEU  61           H        LEU  61  -9.546  -5.907  12.441
  448    HA   LEU  61           HA       LEU  61  -8.407  -4.754   9.943
  449    HB2  LEU  61           HB3      LEU  61  -9.811  -3.288  12.190
  450    HB3  LEU  61           HB2      LEU  61  -9.463  -2.683  10.577
  451    HG   LEU  61           HG       LEU  61 -11.387  -4.883  11.321
  452   HD11  LEU  61          HD11      LEU  61 -12.000  -2.470   9.650
  453   HD12  LEU  61          HD12      LEU  61 -11.919  -2.306  11.403
  454   HD13  LEU  61          HD13      LEU  61 -13.077  -3.419  10.674
  455   HD21  LEU  61          HD21      LEU  61 -11.815  -4.795   8.759
  456   HD22  LEU  61          HD22      LEU  61 -10.405  -5.687   9.333
  457   HD23  LEU  61          HD23      LEU  61 -10.212  -4.065   8.669
  458    H    SER  62           H        SER  62  -6.492  -3.534  10.054
  459    HA   SER  62           HA       SER  62  -5.269  -3.241  12.761
  460    HB2  SER  62           HB3      SER  62  -3.897  -4.923  12.038
  461    HB3  SER  62           HB2      SER  62  -4.217  -4.586  10.341
  462    HG   SER  62           HG       SER  62  -2.484  -3.245  12.129
  463    HA   PRO  63           HA       PRO  63  -5.444   0.860  10.570
  464    HB2  PRO  63           HB3      PRO  63  -5.459   1.758  13.389
  465    HB3  PRO  63           HB2      PRO  63  -6.538   2.208  12.060
  466    HG2  PRO  63           HG3      PRO  63  -7.314   0.611  14.075
  467    HG3  PRO  63           HG2      PRO  63  -7.947   0.455  12.429
  468    HD2  PRO  63           HD3      PRO  63  -5.980  -1.271  13.858
  469    HD3  PRO  63           HD2      PRO  63  -7.164  -1.704  12.607
  470    H    GLU  64           H        GLU  64  -3.458  -0.460  13.127
  471    HA   GLU  64           HA       GLU  64  -1.469   1.611  13.198
  472    HB2  GLU  64           HB3      GLU  64  -1.294  -1.321  13.897
  473    HB3  GLU  64           HB2      GLU  64  -0.053  -0.134  14.274
  474    HG2  GLU  64           HG3      GLU  64  -1.722   1.162  15.564
  475    HG3  GLU  64           HG2      GLU  64  -2.914  -0.090  15.239
  476    H    HIS  65           H        HIS  65  -2.070  -1.019  11.003
  477    HA   HIS  65           HA       HIS  65   0.588  -1.273   9.945
  478    HB2  HIS  65           HB3      HIS  65  -2.058  -2.297   9.351
  479    HB3  HIS  65           HB2      HIS  65  -1.203  -1.877   7.869
  480    HD1  HIS  65           HD1      HIS  65   0.491  -3.535   7.064
  481    HD2  HIS  65           HD2      HIS  65  -0.405  -4.078  11.102
  482    HE1  HIS  65           HE1      HIS  65   1.721  -5.627   7.796
  483    HE2  HIS  65           HE2      HIS  65   1.184  -5.965  10.253
  484    H    PHE  66           H        PHE  66  -1.986   1.036   9.329
  485    HA   PHE  66           HA       PHE  66  -0.779   1.971   6.834
  486    HB2  PHE  66           HB3      PHE  66  -2.975   3.106   8.582
  487    HB3  PHE  66           HB2      PHE  66  -2.452   3.843   7.066
  488    HD1  PHE  66           HD1      PHE  66  -2.321   2.201   4.999
  489    HD2  PHE  66           HD2      PHE  66  -4.677   1.506   8.521
  490    HE1  PHE  66           HE1      PHE  66  -3.751   0.621   3.730
  491    HE2  PHE  66           HE2      PHE  66  -6.107  -0.074   7.250
  492    HZ   PHE  66           HZ       PHE  66  -5.642  -0.519   4.860
  493    H    ARG  67           H        ARG  67   0.116   2.317  10.028
  494    HA   ARG  67           HA       ARG  67   0.774   5.084  10.206
  495    HB2  ARG  67           HB3      ARG  67   2.208   2.696  11.410
  496    HB3  ARG  67           HB2      ARG  67   2.437   4.371  11.903
  497    HG2  ARG  67           HG3      ARG  67  -0.281   3.077  11.918
  498    HG3  ARG  67           HG2      ARG  67   0.802   2.967  13.303
  499    HD2  ARG  67           HD3      ARG  67   0.953   5.515  13.218
  500    HD3  ARG  67           HD2      ARG  67  -0.389   5.468  12.074
  501    HE   ARG  67           HE       ARG  67  -0.557   4.896  14.946
  502   HH11  ARG  67          HH11      ARG  67  -2.659   4.566  15.712
  503   HH12  ARG  67          HH12      ARG  67  -3.949   4.325  14.581
  504   HH21  ARG  67          HH21      ARG  67  -1.910   4.596  11.790
  505   HH22  ARG  67          HH22      ARG  67  -3.525   4.343  12.361
  506    H    SER  68           H        SER  68   2.500   2.368   8.715
  507    HA   SER  68           HA       SER  68   4.249   4.378   7.383
  508    HB2  SER  68           HB3      SER  68   6.243   3.058   7.810
  509    HB3  SER  68           HB2      SER  68   5.465   3.406   9.350
  510    HG   SER  68           HG       SER  68   5.941   1.029   8.145
  511    H    ILE  69           H        ILE  69   5.028   3.682   5.314
  512    HA   ILE  69           HA       ILE  69   3.268   1.958   3.863
  513    HB   ILE  69           HB       ILE  69   6.045   2.933   3.133
  514   HG12  ILE  69          HG13      ILE  69   3.338   4.097   2.464
  515   HG13  ILE  69          HG12      ILE  69   4.395   4.719   3.722
  516   HG21  ILE  69          HG21      ILE  69   3.741   1.980   1.431
  517   HG22  ILE  69          HG22      ILE  69   5.218   1.068   1.744
  518   HG23  ILE  69          HG23      ILE  69   5.286   2.577   0.834
  519   HD11  ILE  69          HD11      ILE  69   5.158   4.469   0.803
  520   HD12  ILE  69          HD12      ILE  69   6.147   5.174   2.081
  521   HD13  ILE  69          HD13      ILE  69   4.652   5.966   1.583
  522    H    ARG  70           H        ARG  70   6.454   1.462   5.331
  523    HA   ARG  70           HA       ARG  70   7.039  -1.067   4.169
  524    HB2  ARG  70           HB3      ARG  70   8.663   0.294   5.478
  525    HB3  ARG  70           HB2      ARG  70   7.770  -0.102   6.948
  526    HG2  ARG  70           HG3      ARG  70   8.195  -2.491   6.593
  527    HG3  ARG  70           HG2      ARG  70   9.037  -2.132   5.086
  528    HD2  ARG  70           HD3      ARG  70  10.721  -2.421   6.784
  529    HD3  ARG  70           HD2      ARG  70  10.631  -0.697   6.429
  530    HE   ARG  70           HE       ARG  70   8.857  -1.297   8.591
  531   HH11  ARG  70          HH11      ARG  70   9.518  -0.766  10.686
  532   HH12  ARG  70          HH12      ARG  70  11.199  -0.506  11.008
  533   HH21  ARG  70          HH21      ARG  70  12.193  -1.109   7.742
  534   HH22  ARG  70          HH22      ARG  70  12.713  -0.700   9.342
  535    H    SER  71           H        SER  71   5.121  -0.233   7.049
  536    HA   SER  71           HA       SER  71   4.784  -2.852   8.066
  537    HB2  SER  71           HB3      SER  71   2.741  -0.615   8.060
  538    HB3  SER  71           HB2      SER  71   2.784  -1.985   9.160
  539    HG   SER  71           HG       SER  71   3.888  -0.557  10.295
  540    H    ILE  72           H        ILE  72   2.978  -1.121   5.532
  541    HA   ILE  72           HA       ILE  72   1.000  -3.153   5.125
  542    HB   ILE  72           HB       ILE  72   2.102  -1.235   3.062
  543   HG12  ILE  72          HG13      ILE  72   1.572   0.134   4.944
  544   HG13  ILE  72          HG12      ILE  72   0.181   0.238   3.865
  545   HG21  ILE  72          HG21      ILE  72   0.067  -3.201   3.030
  546   HG22  ILE  72          HG22      ILE  72   0.450  -2.026   1.772
  547   HG23  ILE  72          HG23      ILE  72  -0.731  -1.630   3.020
  548   HD11  ILE  72          HD11      ILE  72  -0.778  -1.732   5.210
  549   HD12  ILE  72          HD12      ILE  72  -0.763  -0.155   5.996
  550   HD13  ILE  72          HD13      ILE  72   0.461  -1.356   6.403
  551    H    ASP  73           H        ASP  73   4.214  -2.587   3.733
  552    HA   ASP  73           HA       ASP  73   4.144  -4.556   1.699
  553    HB2  ASP  73           HB3      ASP  73   5.977  -2.855   2.098
  554    HB3  ASP  73           HB2      ASP  73   6.555  -3.887   3.407
  555    H    ALA  74           H        ALA  74   4.845  -4.860   5.168
  556    HA   ALA  74           HA       ALA  74   5.686  -7.590   5.099
  557    HB1  ALA  74           HB1      ALA  74   5.816  -7.365   7.355
  558    HB2  ALA  74           HB2      ALA  74   4.147  -6.810   7.480
  559    HB3  ALA  74           HB3      ALA  74   5.426  -5.671   7.062
  560    H    PHE  75           H        PHE  75   2.478  -6.106   5.457
  561    HA   PHE  75           HA       PHE  75   1.042  -8.544   5.880
  562    HB2  PHE  75           HB3      PHE  75   0.102  -6.267   6.274
  563    HB3  PHE  75           HB2      PHE  75   0.059  -6.024   4.529
  564    HD1  PHE  75           HD1      PHE  75  -1.321  -8.017   7.331
  565    HD2  PHE  75           HD2      PHE  75  -1.603  -7.084   3.147
  566    HE1  PHE  75           HE1      PHE  75  -3.501  -9.193   7.215
  567    HE2  PHE  75           HE2      PHE  75  -3.783  -8.259   3.032
  568    HZ   PHE  75           HZ       PHE  75  -4.732  -9.314   5.066
  569    H    VAL  76           H        VAL  76   1.741  -6.708   2.901
  570    HA   VAL  76           HA       VAL  76   0.399  -8.505   1.132
  571    HB   VAL  76           HB       VAL  76   2.683  -6.562   0.709
  572   HG11  VAL  76          HG11      VAL  76   2.877  -8.150  -1.052
  573   HG12  VAL  76          HG12      VAL  76   1.968  -6.800  -1.732
  574   HG13  VAL  76          HG13      VAL  76   1.128  -8.269  -1.236
  575   HG21  VAL  76          HG21      VAL  76   0.238  -5.870   1.361
  576   HG22  VAL  76          HG22      VAL  76  -0.142  -6.315  -0.302
  577   HG23  VAL  76          HG23      VAL  76   1.033  -5.041   0.022
  578    H    VAL  77           H        VAL  77   3.772  -8.344   2.269
  579    HA   VAL  77           HA       VAL  77   4.798 -10.428   0.631
  580    HB   VAL  77           HB       VAL  77   5.593  -9.439   3.379
  581   HG11  VAL  77          HG11      VAL  77   7.818 -10.601   2.567
  582   HG12  VAL  77          HG12      VAL  77   6.708 -11.590   1.620
  583   HG13  VAL  77          HG13      VAL  77   6.568 -11.545   3.377
  584   HG21  VAL  77          HG21      VAL  77   7.275  -9.073   0.957
  585   HG22  VAL  77          HG22      VAL  77   6.953  -7.955   2.281
  586   HG23  VAL  77          HG23      VAL  77   5.766  -8.160   0.994
  587    H    GLY  78           H        GLY  78   3.248 -10.494   3.829
  588    HA2  GLY  78           HA3      GLY  78   3.650 -13.238   4.412
  589    HA3  GLY  78           HA2      GLY  78   2.300 -12.279   5.016
  590    H    ALA  79           H        ALA  79   1.216 -11.657   2.376
  591    HA   ALA  79           HA       ALA  79  -0.103 -14.259   1.897
  592    HB1  ALA  79           HB1      ALA  79  -1.079 -11.689   2.034
  593    HB2  ALA  79           HB2      ALA  79  -1.930 -13.052   1.309
  594    HB3  ALA  79           HB3      ALA  79  -0.986 -11.961   0.295
  595    H    THR  80           H        THR  80   1.472 -11.694  -0.023
  596    HA   THR  80           HA       THR  80   2.420 -13.793  -1.889
  597    HB   THR  80           HB       THR  80   0.215 -12.834  -2.727
  598    HG1  THR  80           HG1      THR  80   1.142 -13.528  -4.460
  599   HG21  THR  80          HG21      THR  80   1.318 -10.426  -1.990
  600   HG22  THR  80          HG22      THR  80  -0.051 -10.614  -3.087
  601   HG23  THR  80          HG23      THR  80   1.578 -10.431  -3.735
  602    H    THR  81           H        THR  81   4.274 -13.099  -3.131
  603    HA   THR  81           HA       THR  81   5.453 -10.501  -2.268
  604    HB   THR  81           HB       THR  81   6.642 -12.011  -0.917
  605    HG1  THR  81           HG1      THR  81   8.221 -10.934  -1.900
  606   HG21  THR  81          HG21      THR  81   7.452 -14.199  -1.732
  607   HG22  THR  81          HG22      THR  81   6.722 -13.877  -3.305
  608   HG23  THR  81          HG23      THR  81   5.700 -14.066  -1.881
  609    HA   PRO  82           HA       PRO  82   5.763 -10.910  -6.836
  610    HB2  PRO  82           HB3      PRO  82   4.951  -8.390  -7.444
  611    HB3  PRO  82           HB2      PRO  82   3.812  -9.704  -7.090
  612    HG2  PRO  82           HG3      PRO  82   4.645  -7.419  -5.409
  613    HG3  PRO  82           HG2      PRO  82   3.102  -8.284  -5.465
  614    HD2  PRO  82           HD3      PRO  82   5.128  -8.641  -3.539
  615    HD3  PRO  82           HD2      PRO  82   3.743  -9.717  -3.810
  616    HA   PRO  83           HA       PRO  83   9.737  -9.075  -7.430
  617    HB2  PRO  83           HB3      PRO  83   9.495  -8.116 -10.030
  618    HB3  PRO  83           HB2      PRO  83   9.869  -9.793  -9.593
  619    HG2  PRO  83           HG3      PRO  83   7.292  -8.584 -10.429
  620    HG3  PRO  83           HG2      PRO  83   7.951 -10.193 -10.766
  621    HD2  PRO  83           HD3      PRO  83   6.001  -9.781  -8.914
  622    HD3  PRO  83           HD2      PRO  83   7.215 -11.068  -8.748
  623    H    VAL  84           H        VAL  84  10.821  -7.038  -7.417
  624    HA   VAL  84           HA       VAL  84   9.043  -4.635  -7.565
  625    HB   VAL  84           HB       VAL  84   9.548  -5.243  -5.207
  626   HG11  VAL  84          HG11      VAL  84  12.401  -4.479  -5.564
  627   HG12  VAL  84          HG12      VAL  84  11.945  -6.085  -6.129
  628   HG13  VAL  84          HG13      VAL  84  11.679  -5.634  -4.446
  629   HG21  VAL  84          HG21      VAL  84   9.453  -3.014  -4.886
  630   HG22  VAL  84          HG22      VAL  84  10.049  -2.739  -6.523
  631   HG23  VAL  84          HG23      VAL  84  11.188  -2.912  -5.188
  632    H    GLU  85           H        GLU  85   9.939  -2.851  -8.575
  633    HA   GLU  85           HA       GLU  85  12.730  -3.153  -9.596
  634    HB2  GLU  85           HB3      GLU  85  10.371  -1.802 -10.940
  635    HB3  GLU  85           HB2      GLU  85  12.008  -1.888 -11.590
  636    HG2  GLU  85           HG3      GLU  85  11.857  -4.374 -11.561
  637    HG3  GLU  85           HG2      GLU  85  10.188  -4.243 -11.005
  638    H    ALA  86           H        ALA  86  13.975  -1.185  -9.690
  639    HA   ALA  86           HA       ALA  86  13.492   0.635  -7.527
  640    HB1  ALA  86           HB1      ALA  86  15.496   1.661  -8.147
  641    HB2  ALA  86           HB2      ALA  86  15.223   1.381  -9.867
  642    HB3  ALA  86           HB3      ALA  86  15.707   0.046  -8.822
  643    H    LYS  87           H        LYS  87  12.612   2.719  -7.531
  644    HA   LYS  87           HA       LYS  87  10.579   3.330  -9.419
  645    HB2  LYS  87           HB3      LYS  87  12.097   5.170  -7.543
  646    HB3  LYS  87           HB2      LYS  87  10.619   5.610  -8.399
  647    HG2  LYS  87           HG3      LYS  87   9.459   3.689  -7.303
  648    HG3  LYS  87           HG2      LYS  87  10.926   3.373  -6.377
  649    HD2  LYS  87           HD3      LYS  87  10.802   5.700  -5.469
  650    HD3  LYS  87           HD2      LYS  87   9.263   5.907  -6.307
  651    HE2  LYS  87           HE3      LYS  87   8.672   5.259  -4.097
  652    HE3  LYS  87           HE2      LYS  87   8.487   3.796  -5.064
  653    HZ1  LYS  87           HZ1      LYS  87   9.797   3.708  -2.853
  654    HZ2  LYS  87           HZ2      LYS  87  11.064   4.375  -3.768
  655    HZ3  LYS  87           HZ3      LYS  87  10.393   2.876  -4.206
  656    H    LEU  88           H        LEU  88  13.983   4.289  -9.272
  657    HA   LEU  88           HA       LEU  88  13.632   5.780 -11.831
  658    HB2  LEU  88           HB3      LEU  88  14.749   6.956  -9.921
  659    HB3  LEU  88           HB2      LEU  88  16.020   5.735  -9.963
  660    HG   LEU  88           HG       LEU  88  16.422   6.336 -12.374
  661   HD11  LEU  88          HD11      LEU  88  14.773   7.530 -13.362
  662   HD12  LEU  88          HD12      LEU  88  15.431   8.927 -12.513
  663   HD13  LEU  88          HD13      LEU  88  14.092   8.020 -11.811
  664   HD21  LEU  88          HD21      LEU  88  16.702   8.534 -10.302
  665   HD22  LEU  88          HD22      LEU  88  17.568   8.492 -11.837
  666   HD23  LEU  88          HD23      LEU  88  17.862   7.246 -10.623
  667    H    GLN  89           H        GLN  89  14.424   4.893 -13.690
  668    HA   GLN  89           HA       GLN  89  15.443   2.216 -13.739
  669    HB2  GLN  89           HB3      GLN  89  15.554   4.394 -15.847
  670    HB3  GLN  89           HB2      GLN  89  15.928   2.695 -16.138
  671    HG2  GLN  89           HG3      GLN  89  13.656   2.058 -15.454
  672    HG3  GLN  89           HG2      GLN  89  13.275   3.746 -15.113
  673   HE21  GLN  89          HE21      GLN  89  11.765   2.306 -17.049
  674   HE22  GLN  89          HE22      GLN  89  12.105   2.939 -18.587
  675    H3   7V9 101          1H1       NIA 101 -11.348   4.207   9.245
  676    H4   7V9 101          2H1       NIA 101  -9.754   4.353   8.504
  677    H5   7V9 101          1HE1      NIA 101 -10.988   1.020  10.752
  678    H6   7V9 101          2HE1      NIA 101 -12.190   1.960   9.868
  679    H7   7V9 101          3HE1      NIA 101 -11.267   2.711  11.170
  680    H8   7V9 101          2HE2      NIA 101  -8.694   1.914  10.843
  681    H9   7V9 101          3HE2      NIA 101  -8.878   3.646  10.571
  682    H10  7V9 101          1HE2      NIA 101  -8.022   2.654   9.392
  683    H11  7V9 101          3H        NIA 101  -9.313   1.665   7.533
  684    H12  7V9 101          3HO       NIA 101 -11.404   0.033   8.079
  685    H13  7V9 101          5H        NIA 101  -7.539   0.991   9.103
  686    H14  7V9 101          1H6       NIA 101  -6.197  -0.913   9.356
  687    H15  7V9 101          2H6       NIA 101  -7.502  -1.559  10.346
  688    H16  7V9 101          1H7       NIA 101  -8.122  -1.571   7.482
  689    H17  7V9 101          2H7       NIA 101  -8.262  -2.872   8.661
  690    H18  7V9 101          9H        NIA 101  -5.658  -1.515   6.316
  691    H19  7V9 101          1H10      NIA 101  -7.161  -3.930   5.610
  692    H20  7V9 101          2H10      NIA 101  -6.459  -2.776   4.476
  693    H21  7V9 101          1H11      NIA 101  -5.441  -5.300   5.090
  694    H22  7V9 101          2H11      NIA 101  -4.410  -4.193   5.996
  695    H25  7V9 101          5H1       NIA 101  -1.858  -4.605   2.428
  696    H26  7V9 101          7H1       NIA 101  -2.100  -4.236  -1.743
  697    H27  7V9 101          8H1       NIA 101  -4.469  -4.965  -1.713
  698    H28  7V9 101          9H1       NIA 101  -5.612  -5.270   0.480
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1  12.851  -5.097   4.068
    2    H2   MET   1           H2       MET   1  12.840  -3.645   4.950
    3    H3   MET   1           H3       MET   1  14.186  -4.054   3.999
    4    HA   MET   1           HA       MET   1  11.496  -3.204   3.110
    5    HB2  MET   1           HB3      MET   1  14.327  -2.258   2.574
    6    HB3  MET   1           HB2      MET   1  12.896  -1.613   1.768
    7    HG2  MET   1           HG3      MET   1  11.952  -1.010   3.990
    8    HG3  MET   1           HG2      MET   1  13.438  -1.578   4.750
    9    HE1  MET   1           HE1      MET   1  13.333   2.285   5.028
   10    HE2  MET   1           HE2      MET   1  14.215   0.992   5.839
   11    HE3  MET   1           HE3      MET   1  12.491   0.811   5.524
   12    H    GLN   2           H        GLN   2  11.802  -5.812   2.573
   13    HA   GLN   2           HA       GLN   2  13.322  -6.593   0.324
   14    HB2  GLN   2           HB3      GLN   2  11.947  -8.100   1.823
   15    HB3  GLN   2           HB2      GLN   2  10.515  -7.545   0.956
   16    HG2  GLN   2           HG3      GLN   2  11.460  -8.360  -1.160
   17    HG3  GLN   2           HG2      GLN   2  12.915  -8.890  -0.317
   18   HE21  GLN   2          HE21      GLN   2  11.573 -10.885  -1.642
   19   HE22  GLN   2          HE22      GLN   2  10.721 -11.873  -0.556
   20    H    HIS   3           H        HIS   3  10.162  -4.996   0.506
   21    HA   HIS   3           HA       HIS   3  10.518  -4.026  -2.250
   22    HB2  HIS   3           HB3      HIS   3   8.237  -5.840  -1.431
   23    HB3  HIS   3           HB2      HIS   3   8.165  -4.793  -2.848
   24    HD1  HIS   3           HD1      HIS   3   9.335  -8.071  -1.755
   25    HD2  HIS   3           HD2      HIS   3  10.381  -5.378  -4.765
   26    HE1  HIS   3           HE1      HIS   3  10.712  -9.374  -3.438
   27    HE2  HIS   3           HE2      HIS   3  11.353  -7.745  -5.274
   28    H    ALA   4           H        ALA   4  10.332  -2.935   0.514
   29    HA   ALA   4           HA       ALA   4   7.805  -1.724   0.993
   30    HB1  ALA   4           HB1      ALA   4   9.196   0.013   2.243
   31    HB2  ALA   4           HB2      ALA   4  10.620  -0.876   1.704
   32    HB3  ALA   4           HB3      ALA   4   9.432  -1.661   2.743
   33    H    SER   5           H        SER   5  10.473  -0.788  -1.124
   34    HA   SER   5           HA       SER   5   9.661   1.878  -1.665
   35    HB2  SER   5           HB3      SER   5  10.931  -0.071  -3.609
   36    HB3  SER   5           HB2      SER   5  10.961   1.687  -3.722
   37    HG   SER   5           HG       SER   5  11.826   0.611  -1.325
   38    H    VAL   6           H        VAL   6   8.605  -1.196  -3.090
   39    HA   VAL   6           HA       VAL   6   6.965  -0.029  -5.137
   40    HB   VAL   6           HB       VAL   6   6.798  -2.694  -3.720
   41   HG11  VAL   6          HG11      VAL   6   4.702  -2.792  -4.589
   42   HG12  VAL   6          HG12      VAL   6   5.508  -2.964  -6.148
   43   HG13  VAL   6          HG13      VAL   6   4.969  -1.375  -5.605
   44   HG21  VAL   6          HG21      VAL   6   8.009  -3.554  -5.537
   45   HG22  VAL   6          HG22      VAL   6   8.767  -1.980  -5.293
   46   HG23  VAL   6          HG23      VAL   6   7.584  -2.198  -6.581
   47    H    ILE   7           H        ILE   7   6.338  -0.933  -1.772
   48    HA   ILE   7           HA       ILE   7   3.528  -0.497  -1.787
   49    HB   ILE   7           HB       ILE   7   5.514  -0.051   0.461
   50   HG12  ILE   7          HG13      ILE   7   3.813  -2.478  -0.193
   51   HG13  ILE   7          HG12      ILE   7   5.520  -2.332  -0.614
   52   HG21  ILE   7          HG21      ILE   7   3.549  -0.422   1.920
   53   HG22  ILE   7          HG22      ILE   7   2.516  -0.534   0.496
   54   HG23  ILE   7          HG23      ILE   7   3.315   0.988   0.887
   55   HD11  ILE   7          HD11      ILE   7   4.335  -3.061   1.918
   56   HD12  ILE   7          HD12      ILE   7   5.337  -1.623   2.111
   57   HD13  ILE   7          HD13      ILE   7   6.031  -3.097   1.436
   58    H    ALA   8           H        ALA   8   6.181   1.739  -0.917
   59    HA   ALA   8           HA       ALA   8   4.486   4.016  -0.511
   60    HB1  ALA   8           HB1      ALA   8   7.286   4.307  -1.553
   61    HB2  ALA   8           HB2      ALA   8   7.034   3.630   0.056
   62    HB3  ALA   8           HB3      ALA   8   6.455   5.253  -0.318
   63    H    GLN   9           H        GLN   9   6.297   2.864  -3.333
   64    HA   GLN   9           HA       GLN   9   5.534   5.005  -5.085
   65    HB2  GLN   9           HB3      GLN   9   7.410   3.425  -5.536
   66    HB3  GLN   9           HB2      GLN   9   6.234   2.134  -5.779
   67    HG2  GLN   9           HG3      GLN   9   5.320   4.210  -7.406
   68    HG3  GLN   9           HG2      GLN   9   7.069   4.229  -7.618
   69   HE21  GLN   9          HE21      GLN   9   4.279   1.957  -7.634
   70   HE22  GLN   9          HE22      GLN   9   4.959   0.892  -8.768
   71    H    PHE  10           H        PHE  10   4.174   1.794  -4.482
   72    HA   PHE  10           HA       PHE  10   2.074   1.903  -6.400
   73    HB2  PHE  10           HB3      PHE  10   2.837  -0.141  -5.151
   74    HB3  PHE  10           HB2      PHE  10   2.051   0.501  -3.711
   75    HD1  PHE  10           HD1      PHE  10   1.503  -0.781  -7.138
   76    HD2  PHE  10           HD2      PHE  10  -0.344   0.458  -3.465
   77    HE1  PHE  10           HE1      PHE  10  -0.649  -1.756  -7.893
   78    HE2  PHE  10           HE2      PHE  10  -2.499  -0.514  -4.221
   79    HZ   PHE  10           HZ       PHE  10  -2.647  -1.624  -6.434
   80    H    VAL  11           H        VAL  11   2.120   2.744  -2.947
   81    HA   VAL  11           HA       VAL  11  -0.613   3.710  -2.932
   82    HB   VAL  11           HB       VAL  11   1.675   4.212  -1.008
   83   HG11  VAL  11          HG11      VAL  11   0.280   5.667  -0.012
   84   HG12  VAL  11          HG12      VAL  11  -0.837   4.333   0.276
   85   HG13  VAL  11          HG13      VAL  11  -0.989   5.312  -1.183
   86   HG21  VAL  11          HG21      VAL  11   1.343   2.069  -0.400
   87   HG22  VAL  11          HG22      VAL  11   0.023   1.908  -1.558
   88   HG23  VAL  11          HG23      VAL  11  -0.301   2.502   0.071
   89    H    VAL  12           H        VAL  12   2.572   5.271  -3.153
   90    HA   VAL  12           HA       VAL  12   1.634   7.958  -3.050
   91    HB   VAL  12           HB       VAL  12   4.100   6.762  -4.307
   92   HG11  VAL  12          HG11      VAL  12   4.956   9.139  -4.173
   93   HG12  VAL  12          HG12      VAL  12   3.295   9.647  -3.863
   94   HG13  VAL  12          HG13      VAL  12   3.711   8.875  -5.392
   95   HG21  VAL  12          HG21      VAL  12   4.190   8.493  -1.901
   96   HG22  VAL  12          HG22      VAL  12   5.088   7.019  -2.257
   97   HG23  VAL  12          HG23      VAL  12   3.425   6.919  -1.679
   98    H    GLU  13           H        GLU  13   2.156   5.802  -5.841
   99    HA   GLU  13           HA       GLU  13   1.714   7.708  -7.877
  100    HB2  GLU  13           HB3      GLU  13   1.218   4.750  -7.726
  101    HB3  GLU  13           HB2      GLU  13   0.830   5.667  -9.175
  102    HG2  GLU  13           HG3      GLU  13   3.147   6.485  -9.292
  103    HG3  GLU  13           HG2      GLU  13   3.540   5.568  -7.844
  104    H    GLU  14           H        GLU  14  -0.547   6.113  -5.744
  105    HA   GLU  14           HA       GLU  14  -2.923   6.653  -7.255
  106    HB2  GLU  14           HB3      GLU  14  -2.796   5.075  -5.319
  107    HB3  GLU  14           HB2      GLU  14  -2.636   6.462  -4.244
  108    HG2  GLU  14           HG3      GLU  14  -4.804   7.337  -5.100
  109    HG3  GLU  14           HG2      GLU  14  -4.973   5.881  -6.082
  110    H    PHE  15           H        PHE  15  -0.959   8.612  -5.091
  111    HA   PHE  15           HA       PHE  15  -2.552  10.975  -5.903
  112    HB2  PHE  15           HB3      PHE  15  -2.873  11.762  -3.645
  113    HB3  PHE  15           HB2      PHE  15  -3.492  10.113  -3.723
  114    HD1  PHE  15           HD1      PHE  15  -1.999   8.208  -2.933
  115    HD2  PHE  15           HD2      PHE  15  -1.108  12.338  -2.164
  116    HE1  PHE  15           HE1      PHE  15  -0.451   7.535  -1.117
  117    HE2  PHE  15           HE2      PHE  15   0.442  11.665  -0.350
  118    HZ   PHE  15           HZ       PHE  15   0.771   9.264   0.175
  119    H    LEU  16           H        LEU  16   0.013  10.302  -6.799
  120    HA   LEU  16           HA       LEU  16   1.991  11.635  -5.140
  121    HB2  LEU  16           HB3      LEU  16   3.564  10.795  -6.558
  122    HB3  LEU  16           HB2      LEU  16   2.257   9.702  -6.959
  123    HG   LEU  16           HG       LEU  16   2.995  12.215  -8.501
  124   HD11  LEU  16          HD11      LEU  16   4.511  10.888  -9.481
  125   HD12  LEU  16          HD12      LEU  16   3.175   9.916 -10.099
  126   HD13  LEU  16          HD13      LEU  16   3.945   9.485  -8.573
  127   HD21  LEU  16          HD21      LEU  16   0.513  10.969  -8.378
  128   HD22  LEU  16          HD22      LEU  16   1.268  10.204  -9.769
  129   HD23  LEU  16          HD23      LEU  16   1.088  11.957  -9.716
  130    HA   PRO  17           HA       PRO  17   1.094  15.655  -6.931
  131    HB2  PRO  17           HB3      PRO  17   3.004  17.092  -5.638
  132    HB3  PRO  17           HB2      PRO  17   1.570  16.477  -4.799
  133    HG2  PRO  17           HG3      PRO  17   4.344  15.397  -4.840
  134    HG3  PRO  17           HG2      PRO  17   3.207  15.540  -3.488
  135    HD2  PRO  17           HD3      PRO  17   3.643  13.198  -4.873
  136    HD3  PRO  17           HD2      PRO  17   2.137  13.580  -4.011
  137    H    ASP  18           H        ASP  18   3.458  17.450  -7.272
  138    HA   ASP  18           HA       ASP  18   4.387  16.371  -9.819
  139    HB2  ASP  18           HB3      ASP  18   5.520  18.526 -10.051
  140    HB3  ASP  18           HB2      ASP  18   3.865  18.787  -9.510
  141    H    VAL  19           H        VAL  19   5.184  15.333  -6.968
  142    HA   VAL  19           HA       VAL  19   8.146  15.424  -7.399
  143    HB   VAL  19           HB       VAL  19   6.630  14.776  -4.854
  144   HG11  VAL  19          HG11      VAL  19   8.727  13.777  -4.622
  145   HG12  VAL  19          HG12      VAL  19   9.029  15.388  -3.974
  146   HG13  VAL  19          HG13      VAL  19   9.527  14.992  -5.619
  147   HG21  VAL  19          HG21      VAL  19   6.231  17.055  -5.064
  148   HG22  VAL  19          HG22      VAL  19   7.692  17.328  -6.013
  149   HG23  VAL  19          HG23      VAL  19   7.804  17.087  -4.270
  150    H    ALA  20           H        ALA  20   9.203  13.489  -7.722
  151    HA   ALA  20           HA       ALA  20   7.642  11.137  -8.317
  152    HB1  ALA  20           HB1      ALA  20  10.634  11.470  -7.971
  153    HB2  ALA  20           HB2      ALA  20   9.745  11.605  -9.489
  154    HB3  ALA  20           HB3      ALA  20   9.845  10.051  -8.661
  155    HA   PRO  21           HA       PRO  21   7.239   9.327  -4.244
  156    HB2  PRO  21           HB3      PRO  21   8.070   6.762  -5.494
  157    HB3  PRO  21           HB2      PRO  21   6.611   7.141  -4.561
  158    HG2  PRO  21           HG3      PRO  21   6.633   6.826  -7.250
  159    HG3  PRO  21           HG2      PRO  21   5.469   7.838  -6.387
  160    HD2  PRO  21           HD3      PRO  21   7.694   8.655  -8.134
  161    HD3  PRO  21           HD2      PRO  21   6.264   9.571  -7.610
  162    H    ALA  22           H        ALA  22  10.045   8.531  -6.240
  163    HA   ALA  22           HA       ALA  22  11.702   7.521  -4.117
  164    HB1  ALA  22           HB1      ALA  22  12.087   8.435  -6.921
  165    HB2  ALA  22           HB2      ALA  22  12.650   6.960  -6.131
  166    HB3  ALA  22           HB3      ALA  22  13.514   8.478  -5.882
  167    H    ASP  23           H        ASP  23  10.758  10.699  -5.087
  168    HA   ASP  23           HA       ASP  23  12.938  11.950  -3.509
  169    HB2  ASP  23           HB3      ASP  23  10.802  13.121  -5.313
  170    HB3  ASP  23           HB2      ASP  23  11.967  14.091  -4.410
  171    H    VAL  24           H        VAL  24  10.099  10.567  -2.824
  172    HA   VAL  24           HA       VAL  24   9.204  12.680  -0.923
  173    HB   VAL  24           HB       VAL  24   7.846  10.079  -1.703
  174   HG11  VAL  24          HG11      VAL  24   5.853  11.324  -0.691
  175   HG12  VAL  24          HG12      VAL  24   7.027  12.458  -0.022
  176   HG13  VAL  24          HG13      VAL  24   7.072  10.759   0.452
  177   HG21  VAL  24          HG21      VAL  24   6.466  11.368  -3.166
  178   HG22  VAL  24          HG22      VAL  24   8.120  11.865  -3.520
  179   HG23  VAL  24          HG23      VAL  24   7.085  12.890  -2.526
  180    H    ASP  25           H        ASP  25   9.439  12.350   1.274
  181    HA   ASP  25           HA       ASP  25  11.269  10.320   2.163
  182    HB2  ASP  25           HB3      ASP  25   9.388  12.112   3.730
  183    HB3  ASP  25           HB2      ASP  25  10.659  11.123   4.447
  184    H    VAL  26           H        VAL  26  10.443   8.268   1.657
  185    HA   VAL  26           HA       VAL  26   7.780   7.380   2.134
  186    HB   VAL  26           HB       VAL  26   8.680   5.123   1.968
  187   HG11  VAL  26          HG11      VAL  26   8.585   6.394  -0.117
  188   HG12  VAL  26          HG12      VAL  26  10.025   5.375  -0.119
  189   HG13  VAL  26          HG13      VAL  26  10.167   7.101   0.213
  190   HG21  VAL  26          HG21      VAL  26  11.277   6.527   2.610
  191   HG22  VAL  26          HG22      VAL  26  11.256   4.951   1.818
  192   HG23  VAL  26          HG23      VAL  26  10.552   5.140   3.424
  193    H    ASP  27           H        ASP  27   9.885   8.533   4.388
  194    HA   ASP  27           HA       ASP  27   9.312   6.591   6.512
  195    HB2  ASP  27           HB3      ASP  27  10.613   8.089   7.926
  196    HB3  ASP  27           HB2      ASP  27  11.471   7.844   6.410
  197    H    LEU  28           H        LEU  28   7.362   8.597   4.985
  198    HA   LEU  28           HA       LEU  28   6.169  10.004   7.278
  199    HB2  LEU  28           HB3      LEU  28   6.235  11.012   4.985
  200    HB3  LEU  28           HB2      LEU  28   5.146   9.741   4.439
  201    HG   LEU  28           HG       LEU  28   3.530  10.468   6.241
  202   HD11  LEU  28          HD11      LEU  28   4.351  11.863   7.814
  203   HD12  LEU  28          HD12      LEU  28   4.303  13.134   6.593
  204   HD13  LEU  28          HD13      LEU  28   5.784  12.213   6.849
  205   HD21  LEU  28          HD21      LEU  28   2.765  12.464   4.979
  206   HD22  LEU  28          HD22      LEU  28   3.240  11.155   3.897
  207   HD23  LEU  28          HD23      LEU  28   4.322  12.524   4.153
  208    H    ASP  29           H        ASP  29   4.408   9.292   8.409
  209    HA   ASP  29           HA       ASP  29   3.607   6.554   8.179
  210    HB2  ASP  29           HB3      ASP  29   2.308   8.895   9.604
  211    HB3  ASP  29           HB2      ASP  29   1.793   7.218   9.788
  212    H    LEU  30           H        LEU  30   2.258   5.707   6.674
  213    HA   LEU  30           HA       LEU  30   0.955   7.249   4.697
  214    HB2  LEU  30           HB3      LEU  30   0.200   4.481   5.695
  215    HB3  LEU  30           HB2      LEU  30  -0.324   5.195   4.170
  216    HG   LEU  30           HG       LEU  30   2.546   4.621   4.965
  217   HD11  LEU  30          HD11      LEU  30   1.803   3.314   2.576
  218   HD12  LEU  30          HD12      LEU  30   0.478   3.038   3.705
  219   HD13  LEU  30          HD13      LEU  30   2.120   2.568   4.141
  220   HD21  LEU  30          HD21      LEU  30   2.813   6.416   3.532
  221   HD22  LEU  30          HD22      LEU  30   1.269   6.136   2.728
  222   HD23  LEU  30          HD23      LEU  30   2.663   5.130   2.335
  223    H    VAL  31           H        VAL  31   0.110   6.696   7.972
  224    HA   VAL  31           HA       VAL  31  -2.686   6.762   7.950
  225    HB   VAL  31           HB       VAL  31  -0.716   8.078   9.831
  226   HG11  VAL  31          HG11      VAL  31  -2.860   8.049  11.352
  227   HG12  VAL  31          HG12      VAL  31  -3.724   8.077   9.815
  228   HG13  VAL  31          HG13      VAL  31  -2.616   9.386  10.227
  229   HG21  VAL  31          HG21      VAL  31  -2.575   5.792  10.434
  230   HG22  VAL  31          HG22      VAL  31  -1.012   6.172  11.154
  231   HG23  VAL  31          HG23      VAL  31  -1.091   5.491   9.529
  232    H    ASP  32           H        ASP  32  -0.405   9.454   7.574
  233    HA   ASP  32           HA       ASP  32  -2.286  11.580   7.528
  234    HB2  ASP  32           HB3      ASP  32   0.283  11.215   5.947
  235    HB3  ASP  32           HB2      ASP  32  -0.616  12.730   6.031
  236    H    ASN  33           H        ASN  33  -1.308   9.233   5.106
  237    HA   ASN  33           HA       ASN  33  -3.052  10.385   3.043
  238    HB2  ASN  33           HB3      ASN  33  -1.619   7.723   3.027
  239    HB3  ASN  33           HB2      ASN  33  -2.241   8.602   1.633
  240   HD21  ASN  33          HD21      ASN  33  -1.316  11.247   2.508
  241   HD22  ASN  33          HD22      ASN  33   0.377  11.245   2.380
  242    H    GLY  34           H        GLY  34  -3.941   9.244   5.740
  243    HA2  GLY  34           HA3      GLY  34  -5.245   6.836   5.681
  244    HA3  GLY  34           HA2      GLY  34  -5.962   8.255   6.438
  245    H    VAL  35           H        VAL  35  -5.850   9.430   3.518
  246    HA   VAL  35           HA       VAL  35  -8.577   9.118   2.896
  247    HB   VAL  35           HB       VAL  35  -6.201   9.633   1.083
  248   HG11  VAL  35          HG11      VAL  35  -7.930   8.734  -0.329
  249   HG12  VAL  35          HG12      VAL  35  -7.970  10.487  -0.519
  250   HG13  VAL  35          HG13      VAL  35  -9.171   9.682   0.491
  251   HG21  VAL  35          HG21      VAL  35  -6.989  11.269   2.950
  252   HG22  VAL  35          HG22      VAL  35  -8.371  11.562   1.896
  253   HG23  VAL  35          HG23      VAL  35  -6.739  11.914   1.328
  254    H    ILE  36           H        ILE  36  -5.790   7.178   1.894
  255    HA   ILE  36           HA       ILE  36  -7.279   5.406   0.170
  256    HB   ILE  36           HB       ILE  36  -4.712   5.856   0.293
  257   HG12  ILE  36          HG13      ILE  36  -6.056   3.184  -0.111
  258   HG13  ILE  36          HG12      ILE  36  -5.469   4.314  -1.330
  259   HG21  ILE  36          HG21      ILE  36  -4.841   3.473   2.140
  260   HG22  ILE  36          HG22      ILE  36  -4.779   5.116   2.778
  261   HG23  ILE  36          HG23      ILE  36  -3.460   4.509   1.778
  262   HD11  ILE  36          HD11      ILE  36  -3.129   3.893  -0.361
  263   HD12  ILE  36          HD12      ILE  36  -3.851   2.577  -1.287
  264   HD13  ILE  36          HD13      ILE  36  -3.850   2.518   0.475
  265    H    ASP  37           H        ASP  37  -6.773   5.531   3.609
  266    HA   ASP  37           HA       ASP  37  -6.964   2.848   4.348
  267    HB2  ASP  37           HB3      ASP  37  -8.092   5.297   5.705
  268    HB3  ASP  37           HB2      ASP  37  -8.107   3.702   6.443
  269    H    SER  38           H        SER  38  -9.637   4.956   3.321
  270    HA   SER  38           HA       SER  38 -11.413   2.557   3.576
  271    HB2  SER  38          2HB       SER  38 -11.832   5.398   4.273
  272    HB3  SER  38          1HB       SER  38 -13.178   4.606   3.463
  273    H    LEU  39           H        LEU  39 -11.331   5.612   1.688
  274    HA   LEU  39           HA       LEU  39 -12.922   4.574  -0.429
  275    HB2  LEU  39           HB3      LEU  39 -12.450   7.003  -0.040
  276    HB3  LEU  39           HB2      LEU  39 -10.814   6.729  -0.629
  277    HG   LEU  39           HG       LEU  39 -12.949   5.712  -2.397
  278   HD11  LEU  39          HD11      LEU  39 -12.645   8.632  -1.708
  279   HD12  LEU  39          HD12      LEU  39 -14.127   7.691  -1.878
  280   HD13  LEU  39          HD13      LEU  39 -13.192   8.130  -3.307
  281   HD21  LEU  39          HD21      LEU  39 -10.349   5.949  -2.726
  282   HD22  LEU  39          HD22      LEU  39 -10.742   7.622  -3.116
  283   HD23  LEU  39          HD23      LEU  39 -11.429   6.310  -4.072
  284    H    GLY  40           H        GLY  40  -9.387   4.971  -0.227
  285    HA2  GLY  40           HA3      GLY  40  -8.908   3.551  -2.697
  286    HA3  GLY  40           HA2      GLY  40  -7.693   3.951  -1.492
  287    H    LEU  41           H        LEU  41  -8.983   2.632   0.720
  288    HA   LEU  41           HA       LEU  41  -7.900   0.025   0.470
  289    HB2  LEU  41           HB3      LEU  41  -8.297   0.974   2.653
  290    HB3  LEU  41           HB2      LEU  41 -10.030   1.083   2.350
  291    HG   LEU  41           HG       LEU  41  -8.834  -1.611   1.994
  292   HD11  LEU  41          HD11      LEU  41  -8.684  -0.113   4.565
  293   HD12  LEU  41          HD12      LEU  41  -7.691  -1.445   3.977
  294   HD13  LEU  41          HD13      LEU  41  -9.286  -1.766   4.648
  295   HD21  LEU  41          HD21      LEU  41 -10.950  -2.320   2.617
  296   HD22  LEU  41          HD22      LEU  41 -11.351  -0.721   1.994
  297   HD23  LEU  41          HD23      LEU  41 -11.188  -0.975   3.730
  298    H    LEU  42           H        LEU  42 -11.217   1.198   0.009
  299    HA   LEU  42           HA       LEU  42 -12.422  -1.351  -0.408
  300    HB2  LEU  42           HB3      LEU  42 -13.091   1.383  -1.521
  301    HB3  LEU  42           HB2      LEU  42 -14.109  -0.027  -1.762
  302    HG   LEU  42           HG       LEU  42 -13.244   0.773   1.007
  303   HD11  LEU  42          HD11      LEU  42 -15.113   2.174  -0.799
  304   HD12  LEU  42          HD12      LEU  42 -14.333   2.748   0.674
  305   HD13  LEU  42          HD13      LEU  42 -15.792   1.763   0.776
  306   HD21  LEU  42          HD21      LEU  42 -15.941  -0.263   0.474
  307   HD22  LEU  42          HD22      LEU  42 -14.743  -0.807   1.647
  308   HD23  LEU  42          HD23      LEU  42 -14.657  -1.362  -0.024
  309    H    LYS  43           H        LYS  43 -10.878   0.928  -2.671
  310    HA   LYS  43           HA       LYS  43 -11.296  -0.711  -4.998
  311    HB2  LYS  43           HB3      LYS  43  -9.251   1.434  -4.410
  312    HB3  LYS  43           HB2      LYS  43  -9.507   0.718  -5.996
  313    HG2  LYS  43           HG3      LYS  43 -11.898   1.439  -5.889
  314    HG3  LYS  43           HG2      LYS  43 -11.544   2.260  -4.367
  315    HD2  LYS  43           HD3      LYS  43  -9.804   3.608  -5.542
  316    HD3  LYS  43           HD2      LYS  43 -10.275   2.842  -7.060
  317    HE2  LYS  43           HE3      LYS  43 -12.547   3.940  -5.554
  318    HE3  LYS  43           HE2      LYS  43 -11.377   5.163  -6.050
  319    HZ1  LYS  43           HZ1      LYS  43 -11.575   4.507  -8.296
  320    HZ2  LYS  43           HZ2      LYS  43 -13.162   4.652  -7.704
  321    HZ3  LYS  43           HZ3      LYS  43 -12.462   3.117  -7.899
  322    H    VAL  44           H        VAL  44  -8.673  -0.441  -2.637
  323    HA   VAL  44           HA       VAL  44  -6.817  -2.158  -3.980
  324    HB   VAL  44           HB       VAL  44  -7.160  -1.497  -1.047
  325   HG11  VAL  44          HG11      VAL  44  -5.063  -3.088  -2.525
  326   HG12  VAL  44          HG12      VAL  44  -5.953  -3.541  -1.072
  327   HG13  VAL  44          HG13      VAL  44  -4.711  -2.291  -0.990
  328   HG21  VAL  44          HG21      VAL  44  -6.112   0.422  -1.591
  329   HG22  VAL  44          HG22      VAL  44  -6.153  -0.053  -3.289
  330   HG23  VAL  44          HG23      VAL  44  -4.774  -0.494  -2.284
  331    H    ILE  45           H        ILE  45  -9.395  -2.840  -1.624
  332    HA   ILE  45           HA       ILE  45  -8.754  -5.553  -1.136
  333    HB   ILE  45           HB       ILE  45 -11.126  -3.818  -0.871
  334   HG12  ILE  45          HG13      ILE  45 -11.152  -4.733   1.340
  335   HG13  ILE  45          HG12      ILE  45 -10.171  -6.114   0.854
  336   HG21  ILE  45          HG21      ILE  45 -12.262  -5.528  -2.107
  337   HG22  ILE  45          HG22      ILE  45 -12.596  -5.839  -0.405
  338   HG23  ILE  45          HG23      ILE  45 -11.397  -6.809  -1.255
  339   HD11  ILE  45          HD11      ILE  45  -9.163  -3.872   2.035
  340   HD12  ILE  45          HD12      ILE  45  -8.949  -3.474   0.333
  341   HD13  ILE  45          HD13      ILE  45  -8.225  -4.938   0.992
  342    H    ALA  46           H        ALA  46 -10.957  -4.193  -3.619
  343    HA   ALA  46           HA       ALA  46 -11.477  -6.747  -4.842
  344    HB1  ALA  46           HB1      ALA  46 -13.060  -5.312  -5.630
  345    HB2  ALA  46           HB2      ALA  46 -11.861  -4.953  -6.874
  346    HB3  ALA  46           HB3      ALA  46 -12.007  -3.906  -5.461
  347    H    TRP  47           H        TRP  47  -9.072  -4.207  -5.461
  348    HA   TRP  47           HA       TRP  47  -7.993  -5.449  -7.832
  349    HB2  TRP  47           HB3      TRP  47  -7.545  -3.119  -7.517
  350    HB3  TRP  47           HB2      TRP  47  -6.891  -3.397  -5.902
  351    HD1  TRP  47           HD1      TRP  47  -6.073  -4.008  -9.602
  352    HE1  TRP  47           HE1      TRP  47  -3.532  -4.378  -9.825
  353    HE3  TRP  47           HE3      TRP  47  -4.743  -4.052  -4.671
  354    HZ2  TRP  47           HZ2      TRP  47  -1.239  -4.649  -8.143
  355    HZ3  TRP  47           HZ3      TRP  47  -2.375  -4.368  -4.012
  356    HH2  TRP  47           HH2      TRP  47  -0.624  -4.666  -5.739
  357    H    LEU  48           H        LEU  48  -7.081  -5.520  -4.403
  358    HA   LEU  48           HA       LEU  48  -4.693  -7.016  -4.710
  359    HB2  LEU  48           HB3      LEU  48  -5.479  -5.828  -2.620
  360    HB3  LEU  48           HB2      LEU  48  -6.605  -7.153  -2.369
  361    HG   LEU  48           HG       LEU  48  -4.483  -8.654  -2.629
  362   HD11  LEU  48          HD11      LEU  48  -2.441  -7.656  -2.488
  363   HD12  LEU  48          HD12      LEU  48  -3.019  -6.427  -1.362
  364   HD13  LEU  48          HD13      LEU  48  -3.305  -6.242  -3.090
  365   HD21  LEU  48          HD21      LEU  48  -5.562  -7.118  -0.338
  366   HD22  LEU  48          HD22      LEU  48  -3.971  -7.837  -0.082
  367   HD23  LEU  48          HD23      LEU  48  -5.341  -8.858  -0.518
  368    H    GLU  49           H        GLU  49  -8.030  -8.139  -4.071
  369    HA   GLU  49           HA       GLU  49  -7.338 -10.926  -4.062
  370    HB2  GLU  49           HB3      GLU  49  -9.467 -10.173  -3.142
  371    HB3  GLU  49           HB2      GLU  49  -9.957  -9.533  -4.702
  372    HG2  GLU  49           HG3      GLU  49  -9.879 -11.814  -5.647
  373    HG3  GLU  49           HG2      GLU  49  -9.431 -12.443  -4.069
  374    H    ASP  50           H        ASP  50  -8.462  -8.725  -6.608
  375    HA   ASP  50           HA       ASP  50  -8.524 -10.685  -8.701
  376    HB2  ASP  50           HB3      ASP  50  -9.604  -8.413  -8.757
  377    HB3  ASP  50           HB2      ASP  50  -7.994  -7.725  -8.961
  378    H    ARG  51           H        ARG  51  -6.021  -8.469  -7.553
  379    HA   ARG  51           HA       ARG  51  -4.133  -8.930  -9.621
  380    HB2  ARG  51           HB3      ARG  51  -4.046  -7.077  -7.941
  381    HB3  ARG  51           HB2      ARG  51  -3.557  -8.255  -6.725
  382    HG2  ARG  51           HG3      ARG  51  -1.505  -7.376  -7.458
  383    HG3  ARG  51           HG2      ARG  51  -1.655  -8.855  -8.402
  384    HD2  ARG  51           HD3      ARG  51  -2.478  -7.598 -10.325
  385    HD3  ARG  51           HD2      ARG  51  -2.487  -6.110  -9.382
  386    HE   ARG  51           HE       ARG  51  -0.186  -5.928  -9.828
  387   HH11  ARG  51          HH11      ARG  51   1.823  -6.708 -10.502
  388   HH12  ARG  51          HH12      ARG  51   2.011  -8.396 -10.846
  389   HH21  ARG  51          HH21      ARG  51  -1.282  -9.187 -10.099
  390   HH22  ARG  51          HH22      ARG  51   0.254  -9.799 -10.618
  391    H    PHE  52           H        PHE  52  -4.461 -10.590  -6.446
  392    HA   PHE  52           HA       PHE  52  -2.655 -12.699  -7.551
  393    HB2  PHE  52           HB3      PHE  52  -2.745 -11.423  -4.830
  394    HB3  PHE  52           HB2      PHE  52  -2.037 -13.017  -5.068
  395    HD1  PHE  52           HD1      PHE  52  -1.665  -9.431  -5.647
  396    HD2  PHE  52           HD2      PHE  52  -0.085 -13.314  -6.587
  397    HE1  PHE  52           HE1      PHE  52   0.408  -8.380  -6.513
  398    HE2  PHE  52           HE2      PHE  52   1.987 -12.263  -7.451
  399    HZ   PHE  52           HZ       PHE  52   2.234  -9.796  -7.415
  400    H    GLY  53           H        GLY  53  -5.807 -12.192  -6.671
  401    HA2  GLY  53           HA3      GLY  53  -7.514 -13.809  -6.335
  402    HA3  GLY  53           HA2      GLY  53  -6.272 -15.056  -6.424
  403    H    ILE  54           H        ILE  54  -6.146 -12.320  -4.204
  404    HA   ILE  54           HA       ILE  54  -6.100 -14.254  -1.952
  405    HB   ILE  54           HB       ILE  54  -5.519 -11.276  -1.981
  406   HG12  ILE  54          HG13      ILE  54  -3.571 -13.600  -1.946
  407   HG13  ILE  54          HG12      ILE  54  -3.993 -12.703  -3.405
  408   HG21  ILE  54          HG21      ILE  54  -4.202 -12.789   0.077
  409   HG22  ILE  54          HG22      ILE  54  -5.933 -13.121   0.138
  410   HG23  ILE  54          HG23      ILE  54  -5.348 -11.461   0.253
  411   HD11  ILE  54          HD11      ILE  54  -2.826 -11.473  -0.891
  412   HD12  ILE  54          HD12      ILE  54  -3.189 -10.624  -2.393
  413   HD13  ILE  54          HD13      ILE  54  -1.913 -11.839  -2.354
  414    H    ALA  55           H        ALA  55  -7.745 -14.333  -0.443
  415    HA   ALA  55           HA       ALA  55 -10.295 -13.231  -1.063
  416    HB1  ALA  55           HB1      ALA  55 -10.906 -14.701   0.525
  417    HB2  ALA  55           HB2      ALA  55 -10.099 -13.730   1.757
  418    HB3  ALA  55           HB3      ALA  55  -9.206 -14.984   0.895
  419    H    ALA  56           H        ALA  56 -11.338 -11.387  -0.363
  420    HA   ALA  56           HA       ALA  56  -9.767  -9.120   0.376
  421    HB1  ALA  56           HB1      ALA  56 -11.946  -8.976  -0.809
  422    HB2  ALA  56           HB2      ALA  56 -11.916  -7.967   0.639
  423    HB3  ALA  56           HB3      ALA  56 -12.760  -9.515   0.660
  424    H    ASP  57           H        ASP  57 -11.705 -11.393   2.267
  425    HA   ASP  57           HA       ASP  57 -11.052  -9.895   4.748
  426    HB2  ASP  57           HB3      ASP  57 -12.939 -12.193   4.215
  427    HB3  ASP  57           HB2      ASP  57 -12.663 -11.496   5.810
  428    H    ASP  58           H        ASP  58  -9.321 -11.891   3.015
  429    HA   ASP  58           HA       ASP  58  -8.792 -14.191   4.585
  430    HB2  ASP  58           HB3      ASP  58  -6.654 -14.300   3.440
  431    HB3  ASP  58           HB2      ASP  58  -7.873 -13.752   2.289
  432    H    VAL  59           H        VAL  59  -7.629 -10.871   4.900
  433    HA   VAL  59           HA       VAL  59  -6.481 -11.631   7.554
  434    HB   VAL  59           HB       VAL  59  -4.633 -10.067   7.185
  435   HG11  VAL  59          HG11      VAL  59  -4.331 -11.455   4.649
  436   HG12  VAL  59          HG12      VAL  59  -5.003 -12.524   5.880
  437   HG13  VAL  59          HG13      VAL  59  -3.466 -11.706   6.165
  438   HG21  VAL  59          HG21      VAL  59  -4.494  -9.362   4.603
  439   HG22  VAL  59          HG22      VAL  59  -5.327  -8.360   5.791
  440   HG23  VAL  59          HG23      VAL  59  -6.250  -9.443   4.751
  441    H    GLU  60           H        GLU  60  -6.455  -9.809   9.098
  442    HA   GLU  60           HA       GLU  60  -8.767  -8.010   8.624
  443    HB2  GLU  60           HB3      GLU  60  -7.169  -8.562  11.142
  444    HB3  GLU  60           HB2      GLU  60  -8.614  -7.563  11.052
  445    HG2  GLU  60           HG3      GLU  60  -9.880  -9.522  10.216
  446    HG3  GLU  60           HG2      GLU  60  -8.437 -10.509  10.408
  447    H    LEU  61           H        LEU  61  -8.526  -5.794   8.454
  448    HA   LEU  61           HA       LEU  61  -5.726  -4.779   8.435
  449    HB2  LEU  61           HB3      LEU  61  -8.222  -3.645   7.142
  450    HB3  LEU  61           HB2      LEU  61  -6.606  -2.957   7.017
  451    HG   LEU  61           HG       LEU  61  -5.835  -5.145   6.048
  452   HD11  LEU  61          HD11      LEU  61  -8.065  -6.288   4.989
  453   HD12  LEU  61          HD12      LEU  61  -8.685  -5.775   6.558
  454   HD13  LEU  61          HD13      LEU  61  -7.291  -6.851   6.468
  455   HD21  LEU  61          HD21      LEU  61  -6.837  -4.722   3.822
  456   HD22  LEU  61          HD22      LEU  61  -6.359  -3.219   4.611
  457   HD23  LEU  61          HD23      LEU  61  -8.056  -3.696   4.578
  458    H    SER  62           H        SER  62  -5.158  -3.062   9.748
  459    HA   SER  62           HA       SER  62  -7.310  -1.716  11.295
  460    HB2  SER  62           HB3      SER  62  -5.437  -3.608  12.357
  461    HB3  SER  62           HB2      SER  62  -5.043  -2.016  13.000
  462    HG   SER  62           HG       SER  62  -7.478  -3.450  13.140
  463    HA   PRO  63           HA       PRO  63  -5.145   1.992  10.331
  464    HB2  PRO  63           HB3      PRO  63  -5.231   3.300  12.793
  465    HB3  PRO  63           HB2      PRO  63  -6.525   3.307  11.583
  466    HG2  PRO  63           HG3      PRO  63  -6.257   1.705  14.062
  467    HG3  PRO  63           HG2      PRO  63  -7.708   2.363  13.288
  468    HD2  PRO  63           HD3      PRO  63  -7.049  -0.270  13.131
  469    HD3  PRO  63           HD2      PRO  63  -7.905   0.576  11.823
  470    H    GLU  64           H        GLU  64  -4.146   0.387  13.322
  471    HA   GLU  64           HA       GLU  64  -1.617   1.726  13.579
  472    HB2  GLU  64           HB3      GLU  64  -2.527  -0.981  14.564
  473    HB3  GLU  64           HB2      GLU  64  -1.031  -0.199  15.054
  474    HG2  GLU  64           HG3      GLU  64  -2.344   1.727  15.888
  475    HG3  GLU  64           HG2      GLU  64  -3.824   0.877  15.463
  476    H    HIS  65           H        HIS  65  -2.710  -1.007  11.681
  477    HA   HIS  65           HA       HIS  65  -0.116  -2.100  11.089
  478    HB2  HIS  65           HB3      HIS  65  -2.173  -3.381  10.720
  479    HB3  HIS  65           HB2      HIS  65  -2.699  -2.215   9.506
  480    HD1  HIS  65           HD1      HIS  65  -1.632  -2.344   7.180
  481    HD2  HIS  65           HD2      HIS  65   0.050  -5.029   9.892
  482    HE1  HIS  65           HE1      HIS  65  -0.151  -3.896   5.829
  483    HE2  HIS  65           HE2      HIS  65   0.877  -5.531   7.471
  484    H    PHE  66           H        PHE  66  -1.924   0.594   9.769
  485    HA   PHE  66           HA       PHE  66   0.047   0.838   7.554
  486    HB2  PHE  66           HB3      PHE  66  -2.616   2.192   8.047
  487    HB3  PHE  66           HB2      PHE  66  -1.550   2.577   6.690
  488    HD1  PHE  66           HD1      PHE  66  -1.564   1.249   4.734
  489    HD2  PHE  66           HD2      PHE  66  -3.336  -0.256   8.343
  490    HE1  PHE  66           HE1      PHE  66  -2.423  -0.718   3.494
  491    HE2  PHE  66           HE2      PHE  66  -4.201  -2.220   7.102
  492    HZ   PHE  66           HZ       PHE  66  -3.744  -2.452   4.677
  493    H    ARG  67           H        ARG  67   0.193   1.629  10.591
  494    HA   ARG  67           HA       ARG  67   0.425   4.420  10.853
  495    HB2  ARG  67           HB3      ARG  67   0.666   2.782  12.721
  496    HB3  ARG  67           HB2      ARG  67   2.240   2.320  12.085
  497    HG2  ARG  67           HG3      ARG  67   2.801   3.891  13.728
  498    HG3  ARG  67           HG2      ARG  67   2.778   4.869  12.266
  499    HD2  ARG  67           HD3      ARG  67   0.471   5.585  12.773
  500    HD3  ARG  67           HD2      ARG  67   0.489   4.601  14.233
  501    HE   ARG  67           HE       ARG  67   2.655   6.203  14.631
  502   HH11  ARG  67          HH11      ARG  67   2.585   8.290  15.495
  503   HH12  ARG  67          HH12      ARG  67   1.148   9.240  15.312
  504   HH21  ARG  67          HH21      ARG  67  -0.569   6.789  13.560
  505   HH22  ARG  67          HH22      ARG  67  -0.637   8.390  14.217
  506    H    SER  68           H        SER  68   2.605   2.102   9.361
  507    HA   SER  68           HA       SER  68   4.077   4.328   8.102
  508    HB2  SER  68           HB3      SER  68   5.283   3.865  10.242
  509    HB3  SER  68           HB2      SER  68   5.522   2.203   9.713
  510    HG   SER  68           HG       SER  68   6.680   4.574   8.813
  511    H    ILE  69           H        ILE  69   5.237   3.651   6.201
  512    HA   ILE  69           HA       ILE  69   4.060   1.518   4.742
  513    HB   ILE  69           HB       ILE  69   6.731   2.887   4.316
  514   HG12  ILE  69          HG13      ILE  69   4.016   3.479   3.131
  515   HG13  ILE  69          HG12      ILE  69   4.754   4.401   4.432
  516   HG21  ILE  69          HG21      ILE  69   4.937   1.313   2.468
  517   HG22  ILE  69          HG22      ILE  69   6.534   0.825   3.032
  518   HG23  ILE  69          HG23      ILE  69   6.362   2.215   1.961
  519   HD11  ILE  69          HD11      ILE  69   5.973   5.586   2.961
  520   HD12  ILE  69          HD12      ILE  69   5.141   4.749   1.650
  521   HD13  ILE  69          HD13      ILE  69   6.651   4.102   2.293
  522    H    ARG  70           H        ARG  70   7.033   1.670   6.671
  523    HA   ARG  70           HA       ARG  70   8.153  -0.812   5.859
  524    HB2  ARG  70           HB3      ARG  70   9.339   0.897   7.231
  525    HB3  ARG  70           HB2      ARG  70   8.312   0.472   8.601
  526    HG2  ARG  70           HG3      ARG  70   9.143  -1.846   8.515
  527    HG3  ARG  70           HG2      ARG  70  10.162  -1.434   7.136
  528    HD2  ARG  70           HD3      ARG  70  11.545  -1.341   9.112
  529    HD3  ARG  70           HD2      ARG  70  11.265   0.318   8.581
  530    HE   ARG  70           HE       ARG  70   9.232  -0.111  10.393
  531   HH11  ARG  70          HH11      ARG  70   9.444   0.276  12.609
  532   HH12  ARG  70          HH12      ARG  70  11.013   0.218  13.339
  533   HH21  ARG  70          HH21      ARG  70  12.652  -0.538  10.378
  534   HH22  ARG  70          HH22      ARG  70  12.830  -0.243  12.076
  535    H    SER  71           H        SER  71   5.785  -0.086   8.426
  536    HA   SER  71           HA       SER  71   5.691  -2.692   9.556
  537    HB2  SER  71           HB3      SER  71   3.407  -0.719   9.293
  538    HB3  SER  71           HB2      SER  71   3.537  -2.023  10.467
  539    HG   SER  71           HG       SER  71   4.454   0.443  10.662
  540    H    ILE  72           H        ILE  72   3.867  -1.273   6.840
  541    HA   ILE  72           HA       ILE  72   2.196  -3.555   6.398
  542    HB   ILE  72           HB       ILE  72   3.121  -1.422   4.453
  543   HG12  ILE  72          HG13      ILE  72   0.605  -1.585   6.143
  544   HG13  ILE  72          HG12      ILE  72   1.993  -0.562   6.516
  545   HG21  ILE  72          HG21      ILE  72   0.515  -2.348   3.894
  546   HG22  ILE  72          HG22      ILE  72   1.499  -3.786   4.161
  547   HG23  ILE  72          HG23      ILE  72   1.971  -2.610   2.934
  548   HD11  ILE  72          HD11      ILE  72   0.041  -0.338   4.242
  549   HD12  ILE  72          HD12      ILE  72   1.668   0.318   4.070
  550   HD13  ILE  72          HD13      ILE  72   0.607   0.915   5.346
  551    H    ASP  73           H        ASP  73   5.341  -2.578   5.052
  552    HA   ASP  73           HA       ASP  73   5.563  -4.603   3.080
  553    HB2  ASP  73           HB3      ASP  73   7.098  -2.613   3.398
  554    HB3  ASP  73           HB2      ASP  73   7.854  -3.500   4.722
  555    H    ALA  74           H        ALA  74   6.430  -4.678   6.536
  556    HA   ALA  74           HA       ALA  74   7.636  -7.279   6.445
  557    HB1  ALA  74           HB1      ALA  74   8.056  -5.854   8.348
  558    HB2  ALA  74           HB2      ALA  74   7.192  -7.278   8.929
  559    HB3  ALA  74           HB3      ALA  74   6.332  -5.753   8.712
  560    H    PHE  75           H        PHE  75   4.307  -6.227   7.121
  561    HA   PHE  75           HA       PHE  75   3.287  -8.805   7.791
  562    HB2  PHE  75           HB3      PHE  75   2.071  -6.647   8.141
  563    HB3  PHE  75           HB2      PHE  75   1.812  -6.565   6.400
  564    HD1  PHE  75           HD1      PHE  75   0.193  -7.964   5.296
  565    HD2  PHE  75           HD2      PHE  75   1.049  -8.485   9.473
  566    HE1  PHE  75           HE1      PHE  75  -1.783  -9.446   5.516
  567    HE2  PHE  75           HE2      PHE  75  -0.927  -9.967   9.694
  568    HZ   PHE  75           HZ       PHE  75  -2.343 -10.448   7.715
  569    H    VAL  76           H        VAL  76   3.322  -7.083   4.655
  570    HA   VAL  76           HA       VAL  76   2.173  -9.244   3.174
  571    HB   VAL  76           HB       VAL  76   3.922  -6.911   2.354
  572   HG11  VAL  76          HG11      VAL  76   2.800  -7.571   0.058
  573   HG12  VAL  76          HG12      VAL  76   2.735  -9.173   0.792
  574   HG13  VAL  76          HG13      VAL  76   4.286  -8.362   0.582
  575   HG21  VAL  76          HG21      VAL  76   0.989  -7.394   1.800
  576   HG22  VAL  76          HG22      VAL  76   1.882  -5.876   1.702
  577   HG23  VAL  76          HG23      VAL  76   1.535  -6.595   3.274
  578    H    VAL  77           H        VAL  77   5.584  -8.247   3.674
  579    HA   VAL  77           HA       VAL  77   6.756 -10.285   2.091
  580    HB   VAL  77           HB       VAL  77   7.732  -8.810   4.546
  581   HG11  VAL  77          HG11      VAL  77   9.997  -9.706   3.422
  582   HG12  VAL  77          HG12      VAL  77   8.931 -11.041   2.985
  583   HG13  VAL  77          HG13      VAL  77   9.152 -10.607   4.679
  584   HG21  VAL  77          HG21      VAL  77   8.965  -7.491   2.967
  585   HG22  VAL  77          HG22      VAL  77   7.331  -7.619   2.317
  586   HG23  VAL  77          HG23      VAL  77   8.624  -8.620   1.657
  587    H    GLY  78           H        GLY  78   5.696 -10.281   5.472
  588    HA2  GLY  78           HA3      GLY  78   6.770 -12.781   6.248
  589    HA3  GLY  78           HA2      GLY  78   5.312 -12.069   6.937
  590    H    ALA  79           H        ALA  79   3.869 -12.015   4.362
  591    HA   ALA  79           HA       ALA  79   3.242 -14.927   4.246
  592    HB1  ALA  79           HB1      ALA  79   1.159 -14.117   4.585
  593    HB2  ALA  79           HB2      ALA  79   1.218 -13.617   2.894
  594    HB3  ALA  79           HB3      ALA  79   1.646 -12.474   4.168
  595    H    THR  80           H        THR  80   3.477 -12.104   2.065
  596    HA   THR  80           HA       THR  80   4.756 -13.815   0.041
  597    HB   THR  80           HB       THR  80   2.223 -14.023  -0.248
  598    HG1  THR  80           HG1      THR  80   2.442 -13.578  -2.548
  599   HG21  THR  80          HG21      THR  80   2.192 -11.418  -1.641
  600   HG22  THR  80          HG22      THR  80   2.232 -11.320   0.120
  601   HG23  THR  80          HG23      THR  80   0.934 -12.200  -0.685
  602    H    THR  81           H        THR  81   5.804 -12.555  -1.611
  603    HA   THR  81           HA       THR  81   5.898  -9.625  -1.037
  604    HB   THR  81           HB       THR  81   7.975 -10.429  -0.275
  605    HG1  THR  81           HG1      THR  81   9.249  -9.349  -1.589
  606   HG21  THR  81          HG21      THR  81   9.312 -12.010  -1.852
  607   HG22  THR  81          HG22      THR  81   7.748 -12.321  -2.606
  608   HG23  THR  81          HG23      THR  81   7.994 -12.692  -0.900
  609    HA   PRO  82           HA       PRO  82   4.895 -10.103  -5.484
  610    HB2  PRO  82           HB3      PRO  82   2.685  -8.584  -5.535
  611    HB3  PRO  82           HB2      PRO  82   2.659 -10.227  -4.866
  612    HG2  PRO  82           HG3      PRO  82   2.621  -7.617  -3.468
  613    HG3  PRO  82           HG2      PRO  82   1.891  -9.162  -3.004
  614    HD2  PRO  82           HD3      PRO  82   4.357  -8.094  -2.057
  615    HD3  PRO  82           HD2      PRO  82   3.715  -9.722  -1.755
  616    HA   PRO  83           HA       PRO  83   6.834  -5.970  -6.007
  617    HB2  PRO  83           HB3      PRO  83   8.314  -6.573  -8.204
  618    HB3  PRO  83           HB2      PRO  83   8.820  -7.015  -6.563
  619    HG2  PRO  83           HG3      PRO  83   7.650  -8.699  -8.700
  620    HG3  PRO  83           HG2      PRO  83   8.832  -9.113  -7.449
  621    HD2  PRO  83           HD3      PRO  83   6.105  -9.735  -7.365
  622    HD3  PRO  83           HD2      PRO  83   7.206  -9.745  -5.971
  623    H    VAL  84           H        VAL  84   5.991  -4.282  -7.218
  624    HA   VAL  84           HA       VAL  84   4.489  -4.997  -9.710
  625    HB   VAL  84           HB       VAL  84   3.776  -2.831  -7.711
  626   HG11  VAL  84          HG11      VAL  84   2.242  -2.134  -9.213
  627   HG12  VAL  84          HG12      VAL  84   1.722  -3.784  -9.551
  628   HG13  VAL  84          HG13      VAL  84   3.108  -3.105 -10.403
  629   HG21  VAL  84          HG21      VAL  84   2.988  -4.593  -6.507
  630   HG22  VAL  84          HG22      VAL  84   3.129  -5.703  -7.870
  631   HG23  VAL  84          HG23      VAL  84   1.717  -4.655  -7.728
  632    H    GLU  85           H        GLU  85   5.154  -3.889 -11.490
  633    HA   GLU  85           HA       GLU  85   7.351  -2.031 -11.345
  634    HB2  GLU  85           HB3      GLU  85   5.431  -2.663 -13.607
  635    HB3  GLU  85           HB2      GLU  85   6.897  -1.696 -13.780
  636    HG2  GLU  85           HG3      GLU  85   8.238  -3.621 -12.960
  637    HG3  GLU  85           HG2      GLU  85   6.764  -4.587 -12.873
  638    H    ALA  86           H        ALA  86   3.844  -1.651 -11.691
  639    HA   ALA  86           HA       ALA  86   4.081   1.140 -10.798
  640    HB1  ALA  86           HB1      ALA  86   2.965   2.108 -12.719
  641    HB2  ALA  86           HB2      ALA  86   2.764   0.520 -13.457
  642    HB3  ALA  86           HB3      ALA  86   4.375   1.221 -13.298
  643    H    LYS  87           H        LYS  87   2.023   1.981 -10.083
  644    HA   LYS  87           HA       LYS  87   0.278   0.075  -8.909
  645    HB2  LYS  87           HB3      LYS  87   0.505   2.485  -8.218
  646    HB3  LYS  87           HB2      LYS  87  -0.425   2.929  -9.649
  647    HG2  LYS  87           HG3      LYS  87  -2.287   1.480  -8.856
  648    HG3  LYS  87           HG2      LYS  87  -1.365   1.136  -7.392
  649    HD2  LYS  87           HD3      LYS  87  -1.272   3.643  -6.993
  650    HD3  LYS  87           HD2      LYS  87  -2.440   3.815  -8.303
  651    HE2  LYS  87           HE3      LYS  87  -2.824   2.773  -5.555
  652    HE3  LYS  87           HE2      LYS  87  -3.965   3.598  -6.618
  653    HZ1  LYS  87           HZ1      LYS  87  -3.230   0.744  -6.556
  654    HZ2  LYS  87           HZ2      LYS  87  -3.864   1.439  -7.971
  655    HZ3  LYS  87           HZ3      LYS  87  -4.772   1.449  -6.535
  656    H    LEU  88           H        LEU  88   0.081   1.807 -11.997
  657    HA   LEU  88           HA       LEU  88  -2.569   1.057 -12.705
  658    HB2  LEU  88           HB3      LEU  88  -0.186   1.413 -14.552
  659    HB3  LEU  88           HB2      LEU  88  -1.885   1.496 -15.018
  660    HG   LEU  88           HG       LEU  88  -0.465   3.360 -13.092
  661   HD11  LEU  88          HD11      LEU  88  -1.672   3.822 -15.837
  662   HD12  LEU  88          HD12      LEU  88   0.053   3.747 -15.480
  663   HD13  LEU  88          HD13      LEU  88  -0.929   5.055 -14.820
  664   HD21  LEU  88          HD21      LEU  88  -2.782   4.576 -13.459
  665   HD22  LEU  88          HD22      LEU  88  -2.640   3.301 -12.248
  666   HD23  LEU  88          HD23      LEU  88  -3.349   2.947 -13.824
  667    H    GLN  89           H        GLN  89   0.496  -0.688 -12.972
  668    HA   GLN  89           HA       GLN  89  -0.945  -2.981 -14.209
  669    HB2  GLN  89           HB3      GLN  89   1.198  -2.197 -15.242
  670    HB3  GLN  89           HB2      GLN  89   2.030  -2.619 -13.745
  671    HG2  GLN  89           HG3      GLN  89   1.214  -4.963 -13.992
  672    HG3  GLN  89           HG2      GLN  89   0.498  -4.520 -15.543
  673   HE21  GLN  89          HE21      GLN  89   3.154  -2.610 -15.466
  674   HE22  GLN  89          HE22      GLN  89   4.295  -3.639 -16.187
  675    H3   7V9 101          1H1       NIA 101 -11.905   3.764   9.193
  676    H4   7V9 101          2H1       NIA 101 -10.342   4.269   8.554
  677    H5   7V9 101          1HE1      NIA 101 -10.307   1.580  11.446
  678    H6   7V9 101          2HE1      NIA 101 -11.924   1.905  10.821
  679    H7   7V9 101          3HE1      NIA 101 -10.871   3.244  11.282
  680    H8   7V9 101          2HE2      NIA 101  -8.633   3.366  10.178
  681    H9   7V9 101          3HE2      NIA 101  -8.473   2.829   8.508
  682    H10  7V9 101          1HE2      NIA 101  -8.330   1.666   9.824
  683    H11  7V9 101          3H        NIA 101 -11.635   0.927   8.403
  684    H12  7V9 101          3HO       NIA 101  -9.636   0.183  10.228
  685    H13  7V9 101          5H        NIA 101  -8.147   0.148   8.599
  686    H14  7V9 101          1H6       NIA 101  -7.863   1.508   5.951
  687    H15  7V9 101          2H6       NIA 101  -6.799   1.845   7.312
  688    H16  7V9 101          1H7       NIA 101  -7.060  -0.912   6.100
  689    H17  7V9 101          2H7       NIA 101  -5.807  -0.320   7.191
  690    H18  7V9 101          9H        NIA 101  -7.044   0.885   3.862
  691    H19  7V9 101          1H10      NIA 101  -4.799  -0.978   3.218
  692    H20  7V9 101          2H10      NIA 101  -6.295  -0.869   2.295
  693    H21  7V9 101          1H11      NIA 101  -4.166   1.281   2.483
  694    H22  7V9 101          2H11      NIA 101  -5.684   1.425   1.595
  695    H25  7V9 101          5H1       NIA 101  -0.942  -1.911   2.076
  696    H26  7V9 101          7H1       NIA 101  -1.405  -4.556  -1.145
  697    H27  7V9 101          8H1       NIA 101  -2.797  -2.878  -2.341
  698    H28  7V9 101          9H1       NIA 101  -2.567  -0.478  -1.595
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1  12.192  -3.889   4.464
    2    H2   MET   1           H2       MET   1  12.235  -5.204   3.387
    3    H3   MET   1           H3       MET   1  10.814  -4.856   4.251
    4    HA   MET   1           HA       MET   1  10.159  -3.273   2.832
    5    HB2  MET   1           HB3      MET   1  13.100  -2.579   2.563
    6    HB3  MET   1           HB2      MET   1  11.788  -1.689   1.787
    7    HG2  MET   1           HG3      MET   1  10.783  -1.330   4.064
    8    HG3  MET   1           HG2      MET   1  12.233  -2.048   4.762
    9    HE1  MET   1           HE1      MET   1  14.530  -0.744   2.509
   10    HE2  MET   1           HE2      MET   1  14.468  -1.481   4.108
   11    HE3  MET   1           HE3      MET   1  15.083   0.161   3.925
   12    H    GLN   2           H        GLN   2  10.669  -5.989   2.142
   13    HA   GLN   2           HA       GLN   2  12.103  -6.337  -0.289
   14    HB2  GLN   2           HB3      GLN   2   9.616  -7.763   0.706
   15    HB3  GLN   2           HB2      GLN   2  10.631  -8.320  -0.624
   16    HG2  GLN   2           HG3      GLN   2  12.561  -8.474   0.891
   17    HG3  GLN   2           HG2      GLN   2  11.570  -7.885   2.226
   18   HE21  GLN   2          HE21      GLN   2  12.791 -10.438   2.414
   19   HE22  GLN   2          HE22      GLN   2  11.587 -11.633   2.341
   20    H    HIS   3           H        HIS   3   8.800  -5.227   0.335
   21    HA   HIS   3           HA       HIS   3   8.668  -4.335  -2.507
   22    HB2  HIS   3           HB3      HIS   3   6.898  -6.243  -1.117
   23    HB3  HIS   3           HB2      HIS   3   6.053  -4.950  -1.968
   24    HD1  HIS   3           HD1      HIS   3   6.421  -4.775  -4.557
   25    HD2  HIS   3           HD2      HIS   3   8.220  -8.100  -2.795
   26    HE1  HIS   3           HE1      HIS   3   7.065  -6.329  -6.451
   27    HE2  HIS   3           HE2      HIS   3   8.164  -8.355  -5.389
   28    H    ALA   4           H        ALA   4   9.010  -3.138   0.345
   29    HA   ALA   4           HA       ALA   4   6.705  -1.630   1.006
   30    HB1  ALA   4           HB1      ALA   4   8.547  -1.672   2.548
   31    HB2  ALA   4           HB2      ALA   4   8.373   0.000   2.015
   32    HB3  ALA   4           HB3      ALA   4   9.650  -1.011   1.340
   33    H    SER   5           H        SER   5   9.301  -0.945  -1.331
   34    HA   SER   5           HA       SER   5   8.418   1.709  -1.966
   35    HB2  SER   5           HB3      SER   5   9.834   1.524  -3.925
   36    HB3  SER   5           HB2      SER   5  10.654   0.733  -2.581
   37    HG   SER   5           HG       SER   5   8.994  -0.970  -3.871
   38    H    VAL   6           H        VAL   6   7.541  -1.478  -3.237
   39    HA   VAL   6           HA       VAL   6   5.921  -0.479  -5.403
   40    HB   VAL   6           HB       VAL   6   5.860  -3.109  -3.912
   41   HG11  VAL   6          HG11      VAL   6   4.385  -2.171  -6.383
   42   HG12  VAL   6          HG12      VAL   6   3.687  -2.813  -4.896
   43   HG13  VAL   6          HG13      VAL   6   4.590  -3.875  -5.976
   44   HG21  VAL   6          HG21      VAL   6   6.849  -3.836  -6.190
   45   HG22  VAL   6          HG22      VAL   6   7.907  -2.948  -5.093
   46   HG23  VAL   6          HG23      VAL   6   7.151  -2.119  -6.453
   47    H    ILE   7           H        ILE   7   5.263  -1.293  -2.022
   48    HA   ILE   7           HA       ILE   7   2.429  -1.078  -2.127
   49    HB   ILE   7           HB       ILE   7   4.339  -0.404   0.128
   50   HG12  ILE   7          HG13      ILE   7   2.676  -2.893  -0.352
   51   HG13  ILE   7          HG12      ILE   7   4.372  -2.754  -0.813
   52   HG21  ILE   7          HG21      ILE   7   2.317  -0.791   1.563
   53   HG22  ILE   7          HG22      ILE   7   1.338  -0.856   0.098
   54   HG23  ILE   7          HG23      ILE   7   2.175   0.635   0.535
   55   HD11  ILE   7          HD11      ILE   7   4.998  -3.244   1.284
   56   HD12  ILE   7          HD12      ILE   7   3.304  -3.422   1.741
   57   HD13  ILE   7          HD13      ILE   7   4.098  -1.853   1.890
   58    H    ALA   8           H        ALA   8   4.880   1.404  -1.351
   59    HA   ALA   8           HA       ALA   8   3.007   3.555  -1.084
   60    HB1  ALA   8           HB1      ALA   8   5.750   4.082  -2.149
   61    HB2  ALA   8           HB2      ALA   8   5.613   3.368  -0.543
   62    HB3  ALA   8           HB3      ALA   8   4.860   4.926  -0.882
   63    H    GLN   9           H        GLN   9   4.983   2.466  -3.832
   64    HA   GLN   9           HA       GLN   9   4.030   4.415  -5.701
   65    HB2  GLN   9           HB3      GLN   9   6.048   2.999  -6.056
   66    HB3  GLN   9           HB2      GLN   9   5.005   1.588  -6.228
   67    HG2  GLN   9           HG3      GLN   9   3.910   3.454  -7.985
   68    HG3  GLN   9           HG2      GLN   9   5.650   3.654  -8.180
   69   HE21  GLN   9          HE21      GLN   9   3.145   1.070  -8.055
   70   HE22  GLN   9          HE22      GLN   9   3.950   0.032  -9.131
   71    H    PHE  10           H        PHE  10   2.967   1.127  -4.945
   72    HA   PHE  10           HA       PHE  10   0.838   1.040  -6.875
   73    HB2  PHE  10           HB3      PHE  10   1.887  -0.957  -5.778
   74    HB3  PHE  10           HB2      PHE  10   1.105  -0.492  -4.271
   75    HD1  PHE  10           HD1      PHE  10  -1.214  -0.919  -3.885
   76    HD2  PHE  10           HD2      PHE  10   0.493  -1.567  -7.772
   77    HE1  PHE  10           HE1      PHE  10  -3.276  -2.099  -4.593
   78    HE2  PHE  10           HE2      PHE  10  -1.568  -2.745  -8.482
   79    HZ   PHE  10           HZ       PHE  10  -3.452  -3.013  -6.892
   80    H    VAL  11           H        VAL  11   0.894   1.683  -3.381
   81    HA   VAL  11           HA       VAL  11  -1.922   2.246  -3.178
   82    HB   VAL  11           HB       VAL  11   0.401   3.069  -1.410
   83   HG11  VAL  11          HG11      VAL  11  -1.985   2.880   0.069
   84   HG12  VAL  11          HG12      VAL  11  -2.403   3.796  -1.379
   85   HG13  VAL  11          HG13      VAL  11  -1.100   4.353  -0.330
   86   HG21  VAL  11          HG21      VAL  11  -0.035   1.116  -0.165
   87   HG22  VAL  11          HG22      VAL  11  -0.196   0.570  -1.833
   88   HG23  VAL  11          HG23      VAL  11  -1.636   0.911  -0.875
   89    H    VAL  12           H        VAL  12   0.946   4.342  -3.511
   90    HA   VAL  12           HA       VAL  12  -0.479   6.816  -3.394
   91    HB   VAL  12           HB       VAL  12   2.121   6.135  -4.773
   92   HG11  VAL  12          HG11      VAL  12   2.003   8.210  -5.630
   93   HG12  VAL  12          HG12      VAL  12   2.088   8.826  -3.980
   94   HG13  VAL  12          HG13      VAL  12   0.520   8.552  -4.741
   95   HG21  VAL  12          HG21      VAL  12   3.169   6.509  -2.761
   96   HG22  VAL  12          HG22      VAL  12   1.610   5.983  -2.125
   97   HG23  VAL  12          HG23      VAL  12   1.977   7.703  -2.249
   98    H    GLU  13           H        GLU  13   0.286   4.645  -6.074
   99    HA   GLU  13           HA       GLU  13  -0.371   6.285  -8.246
  100    HB2  GLU  13           HB3      GLU  13   0.498   3.946  -8.409
  101    HB3  GLU  13           HB2      GLU  13  -1.106   3.370  -7.972
  102    HG2  GLU  13           HG3      GLU  13  -2.048   4.572  -9.934
  103    HG3  GLU  13           HG2      GLU  13  -0.411   5.031 -10.395
  104    H    GLU  14           H        GLU  14  -2.512   4.670  -5.964
  105    HA   GLU  14           HA       GLU  14  -4.944   5.075  -7.435
  106    HB2  GLU  14           HB3      GLU  14  -4.426   4.769  -4.464
  107    HB3  GLU  14           HB2      GLU  14  -6.038   4.804  -5.179
  108    HG2  GLU  14           HG3      GLU  14  -3.859   2.829  -5.926
  109    HG3  GLU  14           HG2      GLU  14  -5.206   2.480  -4.840
  110    H    PHE  15           H        PHE  15  -3.079   7.143  -5.274
  111    HA   PHE  15           HA       PHE  15  -4.885   9.384  -6.035
  112    HB2  PHE  15           HB3      PHE  15  -4.984  10.203  -3.751
  113    HB3  PHE  15           HB2      PHE  15  -5.547   8.533  -3.772
  114    HD1  PHE  15           HD1      PHE  15  -3.079  10.843  -2.480
  115    HD2  PHE  15           HD2      PHE  15  -3.931   6.683  -3.130
  116    HE1  PHE  15           HE1      PHE  15  -1.316  10.226  -0.849
  117    HE2  PHE  15           HE2      PHE  15  -2.170   6.067  -1.496
  118    HZ   PHE  15           HZ       PHE  15  -0.863   7.839  -0.356
  119    H    LEU  16           H        LEU  16  -2.342   8.825  -7.140
  120    HA   LEU  16           HA       LEU  16  -0.359  10.423  -5.736
  121    HB2  LEU  16           HB3      LEU  16   1.160   9.593  -7.219
  122    HB3  LEU  16           HB2      LEU  16  -0.090   8.393  -7.459
  123    HG   LEU  16           HG       LEU  16   0.334  10.857  -9.186
  124   HD11  LEU  16          HD11      LEU  16   0.606   8.532 -10.696
  125   HD12  LEU  16          HD12      LEU  16   1.466   8.181  -9.197
  126   HD13  LEU  16          HD13      LEU  16   1.911   9.591 -10.160
  127   HD21  LEU  16          HD21      LEU  16  -2.018   9.429  -8.802
  128   HD22  LEU  16          HD22      LEU  16  -1.303   8.637 -10.201
  129   HD23  LEU  16          HD23      LEU  16  -1.626  10.369 -10.237
  130    HA   PRO  17           HA       PRO  17  -1.793  14.212  -7.665
  131    HB2  PRO  17           HB3      PRO  17   0.098  15.897  -6.674
  132    HB3  PRO  17           HB2      PRO  17  -1.198  15.238  -5.660
  133    HG2  PRO  17           HG3      PRO  17   1.646  14.391  -5.879
  134    HG3  PRO  17           HG2      PRO  17   0.616  14.529  -4.447
  135    HD2  PRO  17           HD3      PRO  17   1.153  12.143  -5.717
  136    HD3  PRO  17           HD2      PRO  17  -0.303  12.449  -4.747
  137    H    ASP  18           H        ASP  18   0.238  16.205  -8.394
  138    HA   ASP  18           HA       ASP  18   1.066  15.067 -10.939
  139    HB2  ASP  18           HB3      ASP  18   1.568  17.749  -9.641
  140    HB3  ASP  18           HB2      ASP  18   2.086  17.337 -11.271
  141    H    VAL  19           H        VAL  19   2.220  14.292  -8.131
  142    HA   VAL  19           HA       VAL  19   5.105  14.635  -8.853
  143    HB   VAL  19           HB       VAL  19   3.893  14.025  -6.142
  144   HG11  VAL  19          HG11      VAL  19   6.068  13.226  -6.005
  145   HG12  VAL  19          HG12      VAL  19   6.320  14.915  -5.564
  146   HG13  VAL  19          HG13      VAL  19   6.674  14.368  -7.204
  147   HG21  VAL  19          HG21      VAL  19   4.753  16.587  -7.483
  148   HG22  VAL  19          HG22      VAL  19   4.806  16.429  -5.728
  149   HG23  VAL  19          HG23      VAL  19   3.272  16.259  -6.581
  150    H    ALA  20           H        ALA  20   6.302  12.790  -9.197
  151    HA   ALA  20           HA       ALA  20   4.917  10.266  -9.446
  152    HB1  ALA  20           HB1      ALA  20   6.657  10.449 -10.979
  153    HB2  ALA  20           HB2      ALA  20   7.416   9.468  -9.726
  154    HB3  ALA  20           HB3      ALA  20   7.741  11.199  -9.809
  155    HA   PRO  21           HA       PRO  21   5.260   8.772  -5.241
  156    HB2  PRO  21           HB3      PRO  21   6.098   6.173  -6.399
  157    HB3  PRO  21           HB2      PRO  21   4.752   6.541  -5.308
  158    HG2  PRO  21           HG3      PRO  21   4.459   5.994  -7.951
  159    HG3  PRO  21           HG2      PRO  21   3.326   6.968  -7.006
  160    HD2  PRO  21           HD3      PRO  21   5.202   7.827  -9.103
  161    HD3  PRO  21           HD2      PRO  21   3.788   8.668  -8.431
  162    H    ALA  22           H        ALA  22   7.814   8.093  -7.581
  163    HA   ALA  22           HA       ALA  22   9.828   7.282  -5.706
  164    HB1  ALA  22           HB1      ALA  22  10.472   6.775  -7.866
  165    HB2  ALA  22           HB2      ALA  22  11.329   8.303  -7.667
  166    HB3  ALA  22           HB3      ALA  22   9.791   8.261  -8.529
  167    H    ASP  23           H        ASP  23   8.507  10.366  -6.556
  168    HA   ASP  23           HA       ASP  23  10.773  11.830  -5.341
  169    HB2  ASP  23           HB3      ASP  23   8.209  12.769  -6.657
  170    HB3  ASP  23           HB2      ASP  23   9.427  13.853  -5.984
  171    H    VAL  24           H        VAL  24   8.261  10.151  -4.165
  172    HA   VAL  24           HA       VAL  24   7.600  12.136  -2.036
  173    HB   VAL  24           HB       VAL  24   6.253   9.494  -2.687
  174   HG11  VAL  24          HG11      VAL  24   6.127  11.254  -0.430
  175   HG12  VAL  24          HG12      VAL  24   5.187   9.792  -0.729
  176   HG13  VAL  24          HG13      VAL  24   4.593  11.353  -1.298
  177   HG21  VAL  24          HG21      VAL  24   5.244  12.295  -3.244
  178   HG22  VAL  24          HG22      VAL  24   4.552  10.772  -3.799
  179   HG23  VAL  24          HG23      VAL  24   6.092  11.331  -4.451
  180    H    ASP  25           H        ASP  25   8.252  11.726   0.060
  181    HA   ASP  25           HA       ASP  25  10.296   9.739   0.490
  182    HB2  ASP  25           HB3      ASP  25   8.718  11.445   2.439
  183    HB3  ASP  25           HB2      ASP  25  10.098  10.442   2.891
  184    H    VAL  26           H        VAL  26   9.354   7.695   0.012
  185    HA   VAL  26           HA       VAL  26   6.885   6.745   1.070
  186    HB   VAL  26           HB       VAL  26   7.708   4.514   0.541
  187   HG11  VAL  26          HG11      VAL  26   7.383   6.477  -1.266
  188   HG12  VAL  26          HG12      VAL  26   7.870   4.848  -1.731
  189   HG13  VAL  26          HG13      VAL  26   9.083   6.116  -1.564
  190   HG21  VAL  26          HG21      VAL  26  10.376   5.906   0.690
  191   HG22  VAL  26          HG22      VAL  26  10.189   4.446  -0.281
  192   HG23  VAL  26          HG23      VAL  26   9.871   4.398   1.453
  193    H    ASP  27           H        ASP  27   9.502   7.777   2.775
  194    HA   ASP  27           HA       ASP  27   9.312   5.736   4.917
  195    HB2  ASP  27           HB3      ASP  27  11.055   8.200   4.603
  196    HB3  ASP  27           HB2      ASP  27  11.115   7.113   5.991
  197    H    LEU  28           H        LEU  28   7.421   8.147   3.995
  198    HA   LEU  28           HA       LEU  28   7.088   9.486   6.613
  199    HB2  LEU  28           HB3      LEU  28   6.945  10.775   4.474
  200    HB3  LEU  28           HB2      LEU  28   5.520   9.834   4.041
  201    HG   LEU  28           HG       LEU  28   4.839  10.670   6.551
  202   HD11  LEU  28          HD11      LEU  28   6.137  13.089   5.315
  203   HD12  LEU  28          HD12      LEU  28   7.029  12.057   6.431
  204   HD13  LEU  28          HD13      LEU  28   5.558  12.870   6.966
  205   HD21  LEU  28          HD21      LEU  28   3.348  10.847   4.678
  206   HD22  LEU  28          HD22      LEU  28   4.414  11.990   3.858
  207   HD23  LEU  28          HD23      LEU  28   3.545  12.482   5.312
  208    H    ASP  29           H        ASP  29   5.406   9.027   8.004
  209    HA   ASP  29           HA       ASP  29   3.990   6.559   7.728
  210    HB2  ASP  29           HB3      ASP  29   2.596   7.441   9.636
  211    HB3  ASP  29           HB2      ASP  29   4.333   7.511   9.936
  212    H    LEU  30           H        LEU  30   2.451   6.212   6.205
  213    HA   LEU  30           HA       LEU  30   1.145   8.297   4.759
  214    HB2  LEU  30           HB3      LEU  30  -0.238   6.529   3.808
  215    HB3  LEU  30           HB2      LEU  30   1.427   5.960   3.930
  216    HG   LEU  30           HG       LEU  30   0.254   5.326   6.403
  217   HD11  LEU  30          HD11      LEU  30  -1.546   4.482   4.114
  218   HD12  LEU  30          HD12      LEU  30  -1.948   5.747   5.275
  219   HD13  LEU  30          HD13      LEU  30  -1.748   4.082   5.819
  220   HD21  LEU  30          HD21      LEU  30   0.792   3.643   3.935
  221   HD22  LEU  30          HD22      LEU  30   0.510   2.989   5.549
  222   HD23  LEU  30          HD23      LEU  30   1.931   3.986   5.237
  223    H    VAL  31           H        VAL  31   0.781   7.796   7.917
  224    HA   VAL  31           HA       VAL  31  -1.978   7.467   8.412
  225    HB   VAL  31           HB       VAL  31  -0.069   7.683  10.119
  226   HG11  VAL  31          HG11      VAL  31   0.606   9.952   9.096
  227   HG12  VAL  31          HG12      VAL  31   0.564   9.847  10.856
  228   HG13  VAL  31          HG13      VAL  31  -0.761  10.620   9.987
  229   HG21  VAL  31          HG21      VAL  31  -2.020   7.495  11.289
  230   HG22  VAL  31          HG22      VAL  31  -2.851   8.677  10.279
  231   HG23  VAL  31          HG23      VAL  31  -1.796   9.219  11.584
  232    H    ASP  32           H        ASP  32  -0.170  10.355   7.444
  233    HA   ASP  32           HA       ASP  32  -2.253  12.265   7.735
  234    HB2  ASP  32           HB3      ASP  32   0.158  12.752   7.108
  235    HB3  ASP  32           HB2      ASP  32  -0.227  12.200   5.477
  236    H    ASN  33           H        ASN  33  -1.538   9.932   5.200
  237    HA   ASN  33           HA       ASN  33  -3.824  10.805   3.568
  238    HB2  ASN  33           HB3      ASN  33  -1.958   8.447   3.231
  239    HB3  ASN  33           HB2      ASN  33  -3.110   9.029   2.032
  240   HD21  ASN  33          HD21      ASN  33   0.076   9.478   3.316
  241   HD22  ASN  33          HD22      ASN  33   0.486  10.843   2.395
  242    H    GLY  34           H        GLY  34  -3.869   9.490   6.382
  243    HA2  GLY  34           HA3      GLY  34  -4.870   6.930   6.452
  244    HA3  GLY  34           HA2      GLY  34  -5.530   8.212   7.467
  245    H    VAL  35           H        VAL  35  -6.262   9.586   4.756
  246    HA   VAL  35           HA       VAL  35  -9.001   8.937   4.722
  247    HB   VAL  35           HB       VAL  35  -7.751  10.855   3.507
  248   HG11  VAL  35          HG11      VAL  35  -6.986  10.444   1.310
  249   HG12  VAL  35          HG12      VAL  35  -7.804   8.883   1.229
  250   HG13  VAL  35          HG13      VAL  35  -6.372   9.075   2.240
  251   HG21  VAL  35          HG21      VAL  35  -9.538  10.873   1.691
  252   HG22  VAL  35          HG22      VAL  35 -10.145  10.686   3.336
  253   HG23  VAL  35          HG23      VAL  35 -10.030   9.283   2.273
  254    H    ILE  36           H        ILE  36  -6.285   7.422   3.096
  255    HA   ILE  36           HA       ILE  36  -7.845   5.675   1.410
  256    HB   ILE  36           HB       ILE  36  -5.340   6.319   1.217
  257   HG12  ILE  36          HG13      ILE  36  -6.546   3.589   0.833
  258   HG13  ILE  36          HG12      ILE  36  -6.086   4.781  -0.385
  259   HG21  ILE  36          HG21      ILE  36  -5.005   3.881   2.965
  260   HG22  ILE  36          HG22      ILE  36  -4.980   5.508   3.646
  261   HG23  ILE  36          HG23      ILE  36  -3.775   5.035   2.447
  262   HD11  ILE  36          HD11      ILE  36  -3.667   4.402   0.424
  263   HD12  ILE  36          HD12      ILE  36  -4.408   3.118  -0.533
  264   HD13  ILE  36          HD13      ILE  36  -4.294   2.958   1.219
  265    H    ASP  37           H        ASP  37  -6.935   5.605   4.749
  266    HA   ASP  37           HA       ASP  37  -6.853   2.853   5.290
  267    HB2  ASP  37           HB3      ASP  37  -7.972   5.090   6.995
  268    HB3  ASP  37           HB2      ASP  37  -7.635   3.465   7.583
  269    H    SER  38           H        SER  38  -9.714   4.892   4.776
  270    HA   SER  38           HA       SER  38 -11.388   2.453   5.216
  271    HB2  SER  38          2HB       SER  38 -12.217   5.357   5.336
  272    HB3  SER  38          1HB       SER  38 -13.239   3.970   5.698
  273    H    LEU  39           H        LEU  39 -11.706   5.473   3.301
  274    HA   LEU  39           HA       LEU  39 -13.409   4.237   1.369
  275    HB2  LEU  39           HB3      LEU  39 -11.765   6.750   1.321
  276    HB3  LEU  39           HB2      LEU  39 -12.743   6.258  -0.055
  277    HG   LEU  39           HG       LEU  39 -14.692   6.080   1.596
  278   HD11  LEU  39          HD11      LEU  39 -12.623   7.482   3.288
  279   HD12  LEU  39          HD12      LEU  39 -13.624   6.094   3.709
  280   HD13  LEU  39          HD13      LEU  39 -14.350   7.694   3.571
  281   HD21  LEU  39          HD21      LEU  39 -15.173   8.462   1.421
  282   HD22  LEU  39          HD22      LEU  39 -14.364   7.922  -0.050
  283   HD23  LEU  39          HD23      LEU  39 -13.462   8.814   1.173
  284    H    GLY  40           H        GLY  40  -9.958   5.100   1.150
  285    HA2  GLY  40           HA3      GLY  40  -9.627   3.840  -1.424
  286    HA3  GLY  40           HA2      GLY  40  -8.325   4.352  -0.359
  287    H    LEU  41           H        LEU  41  -9.101   2.762   1.910
  288    HA   LEU  41           HA       LEU  41  -7.723   0.354   1.341
  289    HB2  LEU  41           HB3      LEU  41  -8.076   1.334   3.627
  290    HB3  LEU  41           HB2      LEU  41  -9.750   0.784   3.554
  291    HG   LEU  41           HG       LEU  41  -7.744  -1.287   2.908
  292   HD11  LEU  41          HD11      LEU  41  -7.823   0.136   5.560
  293   HD12  LEU  41          HD12      LEU  41  -6.423  -0.423   4.645
  294   HD13  LEU  41          HD13      LEU  41  -7.444  -1.584   5.490
  295   HD21  LEU  41          HD21      LEU  41 -10.081  -1.165   4.844
  296   HD22  LEU  41          HD22      LEU  41  -9.241  -2.625   4.324
  297   HD23  LEU  41          HD23      LEU  41 -10.189  -1.693   3.165
  298    H    LEU  42           H        LEU  42 -11.213   1.021   1.457
  299    HA   LEU  42           HA       LEU  42 -12.015  -1.707   1.008
  300    HB2  LEU  42           HB3      LEU  42 -13.526   0.126   1.846
  301    HB3  LEU  42           HB2      LEU  42 -13.512   0.809   0.227
  302    HG   LEU  42           HG       LEU  42 -14.250  -1.571  -0.537
  303   HD11  LEU  42          HD11      LEU  42 -15.677  -1.835   2.012
  304   HD12  LEU  42          HD12      LEU  42 -13.938  -2.079   2.158
  305   HD13  LEU  42          HD13      LEU  42 -14.875  -3.069   1.041
  306   HD21  LEU  42          HD21      LEU  42 -16.654  -0.959   0.017
  307   HD22  LEU  42          HD22      LEU  42 -15.726   0.315  -0.772
  308   HD23  LEU  42          HD23      LEU  42 -16.014   0.382   0.966
  309    H    LYS  43           H        LYS  43 -11.492   1.045  -1.201
  310    HA   LYS  43           HA       LYS  43 -12.166  -0.408  -3.587
  311    HB2  LYS  43           HB3      LYS  43 -10.443   2.039  -3.168
  312    HB3  LYS  43           HB2      LYS  43 -10.976   1.454  -4.739
  313    HG2  LYS  43           HG3      LYS  43 -13.343   1.664  -3.969
  314    HG3  LYS  43           HG2      LYS  43 -12.754   2.369  -2.463
  315    HD2  LYS  43           HD3      LYS  43 -11.623   4.158  -3.793
  316    HD3  LYS  43           HD2      LYS  43 -12.354   3.488  -5.252
  317    HE2  LYS  43           HE3      LYS  43 -14.588   3.897  -4.376
  318    HE3  LYS  43           HE2      LYS  43 -13.920   4.447  -2.840
  319    HZ1  LYS  43           HZ1      LYS  43 -14.101   6.447  -3.821
  320    HZ2  LYS  43           HZ2      LYS  43 -14.067   5.815  -5.397
  321    HZ3  LYS  43           HZ3      LYS  43 -12.621   6.027  -4.532
  322    H    VAL  44           H        VAL  44  -9.136   0.145  -1.846
  323    HA   VAL  44           HA       VAL  44  -7.381  -0.961  -3.805
  324    HB   VAL  44           HB       VAL  44  -7.160  -0.766  -0.793
  325   HG11  VAL  44          HG11      VAL  44  -5.680  -2.528  -1.407
  326   HG12  VAL  44          HG12      VAL  44  -4.671  -1.084  -1.316
  327   HG13  VAL  44          HG13      VAL  44  -5.188  -1.702  -2.885
  328   HG21  VAL  44          HG21      VAL  44  -5.528   0.784  -2.768
  329   HG22  VAL  44          HG22      VAL  44  -6.080   1.253  -1.160
  330   HG23  VAL  44          HG23      VAL  44  -7.207   1.264  -2.517
  331    H    ILE  45           H        ILE  45  -9.135  -2.484  -1.106
  332    HA   ILE  45           HA       ILE  45  -7.954  -5.051  -1.295
  333    HB   ILE  45           HB       ILE  45 -10.454  -3.910  -0.181
  334   HG12  ILE  45          HG13      ILE  45  -9.723  -5.380   1.740
  335   HG13  ILE  45          HG12      ILE  45  -8.340  -5.867   0.768
  336   HG21  ILE  45          HG21      ILE  45 -11.515  -5.708  -1.339
  337   HG22  ILE  45          HG22      ILE  45 -11.281  -6.271   0.314
  338   HG23  ILE  45          HG23      ILE  45 -10.198  -6.820  -0.963
  339   HD11  ILE  45          HD11      ILE  45  -7.380  -4.093   1.874
  340   HD12  ILE  45          HD12      ILE  45  -8.915  -3.251   2.076
  341   HD13  ILE  45          HD13      ILE  45  -8.082  -3.207   0.525
  342    H    ALA  46           H        ALA  46 -10.950  -3.851  -2.864
  343    HA   ALA  46           HA       ALA  46 -11.359  -6.263  -4.382
  344    HB1  ALA  46           HB1      ALA  46 -12.400  -3.949  -5.752
  345    HB2  ALA  46           HB2      ALA  46 -12.702  -3.792  -4.021
  346    HB3  ALA  46           HB3      ALA  46 -13.284  -5.211  -4.893
  347    H    TRP  47           H        TRP  47  -9.645  -3.242  -5.017
  348    HA   TRP  47           HA       TRP  47  -9.066  -3.748  -7.779
  349    HB2  TRP  47           HB3      TRP  47  -8.863  -1.519  -6.776
  350    HB3  TRP  47           HB2      TRP  47  -7.574  -2.102  -5.730
  351    HD1  TRP  47           HD1      TRP  47  -7.982  -2.793  -9.512
  352    HE1  TRP  47           HE1      TRP  47  -5.862  -1.940 -10.696
  353    HE3  TRP  47           HE3      TRP  47  -5.571  -0.675  -5.564
  354    HZ2  TRP  47           HZ2      TRP  47  -3.450  -0.534 -10.055
  355    HZ3  TRP  47           HZ3      TRP  47  -3.364   0.421  -5.866
  356    HH2  TRP  47           HH2      TRP  47  -2.301   0.492  -8.107
  357    H    LEU  48           H        LEU  48  -7.365  -4.502  -4.772
  358    HA   LEU  48           HA       LEU  48  -4.950  -5.477  -5.888
  359    HB2  LEU  48           HB3      LEU  48  -5.418  -5.044  -3.449
  360    HB3  LEU  48           HB2      LEU  48  -6.361  -6.524  -3.423
  361    HG   LEU  48           HG       LEU  48  -4.209  -7.602  -4.438
  362   HD11  LEU  48          HD11      LEU  48  -2.723  -5.634  -2.821
  363   HD12  LEU  48          HD12      LEU  48  -3.341  -5.020  -4.352
  364   HD13  LEU  48          HD13      LEU  48  -2.268  -6.418  -4.331
  365   HD21  LEU  48          HD21      LEU  48  -3.299  -7.458  -1.879
  366   HD22  LEU  48          HD22      LEU  48  -4.650  -8.481  -2.370
  367   HD23  LEU  48          HD23      LEU  48  -4.957  -6.896  -1.658
  368    H    GLU  49           H        GLU  49  -8.028  -7.145  -5.224
  369    HA   GLU  49           HA       GLU  49  -7.110  -9.754  -5.985
  370    HB2  GLU  49           HB3      GLU  49  -9.174  -9.429  -4.694
  371    HB3  GLU  49           HB2      GLU  49  -9.904  -8.578  -6.056
  372    HG2  GLU  49           HG3      GLU  49  -8.811 -11.182  -6.818
  373    HG3  GLU  49           HG2      GLU  49 -10.069 -11.307  -5.587
  374    H    ASP  50           H        ASP  50  -8.605  -7.109  -7.822
  375    HA   ASP  50           HA       ASP  50  -9.025  -8.518 -10.247
  376    HB2  ASP  50           HB3      ASP  50  -9.863  -6.209  -9.692
  377    HB3  ASP  50           HB2      ASP  50  -8.234  -5.618 -10.009
  378    H    ARG  51           H        ARG  51  -6.127  -6.854  -9.043
  379    HA   ARG  51           HA       ARG  51  -4.677  -7.426 -11.528
  380    HB2  ARG  51           HB3      ARG  51  -3.869  -6.167  -8.901
  381    HB3  ARG  51           HB2      ARG  51  -2.760  -6.391 -10.251
  382    HG2  ARG  51           HG3      ARG  51  -4.228  -5.052 -11.702
  383    HG3  ARG  51           HG2      ARG  51  -5.362  -4.842 -10.367
  384    HD2  ARG  51           HD3      ARG  51  -3.952  -2.864 -10.514
  385    HD3  ARG  51           HD2      ARG  51  -3.538  -3.754  -9.050
  386    HE   ARG  51           HE       ARG  51  -1.433  -4.305 -10.019
  387   HH11  ARG  51          HH11      ARG  51   0.158  -3.951 -11.581
  388   HH12  ARG  51          HH12      ARG  51  -0.267  -3.182 -13.074
  389   HH21  ARG  51          HH21      ARG  51  -3.613  -2.816 -12.241
  390   HH22  ARG  51          HH22      ARG  51  -2.402  -2.540 -13.446
  391    H    PHE  52           H        PHE  52  -4.217  -8.365  -8.088
  392    HA   PHE  52           HA       PHE  52  -2.263 -10.386  -8.856
  393    HB2  PHE  52           HB3      PHE  52  -3.584  -9.695  -6.225
  394    HB3  PHE  52           HB2      PHE  52  -2.370 -10.958  -6.402
  395    HD1  PHE  52           HD1      PHE  52  -0.048 -10.417  -6.998
  396    HD2  PHE  52           HD2      PHE  52  -2.996  -7.340  -6.451
  397    HE1  PHE  52           HE1      PHE  52   1.750  -8.714  -6.891
  398    HE2  PHE  52           HE2      PHE  52  -1.196  -5.636  -6.343
  399    HZ   PHE  52           HZ       PHE  52   1.177  -6.323  -6.564
  400    H    GLY  53           H        GLY  53  -5.717 -10.353  -8.351
  401    HA2  GLY  53           HA3      GLY  53  -7.237 -12.114  -8.837
  402    HA3  GLY  53           HA2      GLY  53  -5.855 -13.146  -9.209
  403    H    ILE  54           H        ILE  54  -6.005 -11.388  -6.200
  404    HA   ILE  54           HA       ILE  54  -6.241 -13.993  -4.769
  405    HB   ILE  54           HB       ILE  54  -5.224 -11.314  -3.773
  406   HG12  ILE  54          HG13      ILE  54  -3.624 -13.796  -4.441
  407   HG13  ILE  54          HG12      ILE  54  -3.867 -12.484  -5.596
  408   HG21  ILE  54          HG21      ILE  54  -5.847 -13.882  -2.501
  409   HG22  ILE  54          HG22      ILE  54  -5.547 -12.308  -1.763
  410   HG23  ILE  54          HG23      ILE  54  -4.192 -13.349  -2.200
  411   HD11  ILE  54          HD11      ILE  54  -1.734 -12.283  -4.281
  412   HD12  ILE  54          HD12      ILE  54  -2.709 -12.098  -2.822
  413   HD13  ILE  54          HD13      ILE  54  -2.808 -10.896  -4.109
  414    H    ALA  55           H        ALA  55  -7.729 -14.177  -3.025
  415    HA   ALA  55           HA       ALA  55 -10.214 -12.815  -3.333
  416    HB1  ALA  55           HB1      ALA  55  -9.249 -14.978  -1.820
  417    HB2  ALA  55           HB2      ALA  55 -10.915 -14.404  -1.892
  418    HB3  ALA  55           HB3      ALA  55  -9.832 -13.812  -0.632
  419    H    ALA  56           H        ALA  56 -11.214 -11.266  -1.871
  420    HA   ALA  56           HA       ALA  56  -9.626  -9.018  -1.273
  421    HB1  ALA  56           HB1      ALA  56 -11.899  -8.528  -1.355
  422    HB2  ALA  56           HB2      ALA  56 -11.622  -8.534   0.388
  423    HB3  ALA  56           HB3      ALA  56 -12.341  -9.941  -0.395
  424    H    ASP  57           H        ASP  57 -10.528 -11.752   0.808
  425    HA   ASP  57           HA       ASP  57  -9.754 -12.327   2.955
  426    HB2  ASP  57           HB3      ASP  57  -7.335 -10.875   1.866
  427    HB3  ASP  57           HB2      ASP  57  -7.327 -11.861   3.326
  428    H    ASP  58           H        ASP  58 -11.425 -10.184   3.087
  429    HA   ASP  58           HA       ASP  58 -10.217  -7.847   4.276
  430    HB2  ASP  58           HB3      ASP  58 -12.448  -7.853   3.157
  431    HB3  ASP  58           HB2      ASP  58 -13.075  -8.802   4.503
  432    H    VAL  59           H        VAL  59  -9.280  -7.839   6.231
  433    HA   VAL  59           HA       VAL  59 -10.564  -9.396   8.434
  434    HB   VAL  59           HB       VAL  59  -8.338  -9.940   9.310
  435   HG11  VAL  59          HG11      VAL  59  -9.481 -11.367   7.514
  436   HG12  VAL  59          HG12      VAL  59  -7.745 -11.605   7.709
  437   HG13  VAL  59          HG13      VAL  59  -8.358 -10.636   6.367
  438   HG21  VAL  59          HG21      VAL  59  -7.374  -8.445   6.851
  439   HG22  VAL  59          HG22      VAL  59  -6.337  -9.424   7.889
  440   HG23  VAL  59          HG23      VAL  59  -7.116  -7.980   8.532
  441    H    GLU  60           H        GLU  60 -10.034  -8.433  10.610
  442    HA   GLU  60           HA       GLU  60 -10.040  -5.494  10.376
  443    HB2  GLU  60           HB3      GLU  60 -11.657  -6.611  11.876
  444    HB3  GLU  60           HB2      GLU  60 -10.321  -7.252  12.826
  445    HG2  GLU  60           HG3      GLU  60  -9.570  -4.974  13.325
  446    HG3  GLU  60           HG2      GLU  60 -10.886  -4.325  12.360
  447    H    LEU  61           H        LEU  61  -8.167  -4.414  10.419
  448    HA   LEU  61           HA       LEU  61  -5.911  -5.521  12.029
  449    HB2  LEU  61           HB3      LEU  61  -5.729  -3.655   9.649
  450    HB3  LEU  61           HB2      LEU  61  -4.393  -4.452  10.473
  451    HG   LEU  61           HG       LEU  61  -6.586  -5.782   8.880
  452   HD11  LEU  61          HD11      LEU  61  -4.225  -4.653   8.034
  453   HD12  LEU  61          HD12      LEU  61  -5.079  -5.948   7.195
  454   HD13  LEU  61          HD13      LEU  61  -3.759  -6.333   8.299
  455   HD21  LEU  61          HD21      LEU  61  -4.538  -6.853  10.796
  456   HD22  LEU  61          HD22      LEU  61  -5.007  -7.824   9.401
  457   HD23  LEU  61          HD23      LEU  61  -6.222  -7.334  10.581
  458    H    SER  62           H        SER  62  -4.819  -4.068  13.411
  459    HA   SER  62           HA       SER  62  -6.368  -1.851  14.401
  460    HB2  SER  62           HB3      SER  62  -4.976  -2.120  16.151
  461    HB3  SER  62           HB2      SER  62  -4.084  -3.323  15.227
  462    HG   SER  62           HG       SER  62  -2.922  -1.534  14.293
  463    HA   PRO  63           HA       PRO  63  -5.134   1.467  11.768
  464    HB2  PRO  63           HB3      PRO  63  -4.726   3.477  13.648
  465    HB3  PRO  63           HB2      PRO  63  -6.300   3.011  12.978
  466    HG2  PRO  63           HG3      PRO  63  -5.059   2.298  15.577
  467    HG3  PRO  63           HG2      PRO  63  -6.758   2.601  15.177
  468    HD2  PRO  63           HD3      PRO  63  -5.780   0.091  15.551
  469    HD3  PRO  63           HD2      PRO  63  -7.108   0.437  14.420
  470    H    GLU  64           H        GLU  64  -3.089   0.684  14.505
  471    HA   GLU  64           HA       GLU  64  -0.832   2.303  13.818
  472    HB2  GLU  64           HB3      GLU  64  -0.980  -0.322  15.304
  473    HB3  GLU  64           HB2      GLU  64   0.445   0.705  15.240
  474    HG2  GLU  64           HG3      GLU  64  -0.875   2.551  16.230
  475    HG3  GLU  64           HG2      GLU  64  -2.256   1.468  16.358
  476    H    HIS  65           H        HIS  65  -2.023  -0.722  12.552
  477    HA   HIS  65           HA       HIS  65   0.432  -1.646  11.383
  478    HB2  HIS  65           HB3      HIS  65  -1.536  -3.101  11.685
  479    HB3  HIS  65           HB2      HIS  65  -2.426  -2.142  10.502
  480    HD1  HIS  65           HD1      HIS  65  -2.118  -2.747   8.081
  481    HD2  HIS  65           HD2      HIS  65   0.829  -4.440  10.501
  482    HE1  HIS  65           HE1      HIS  65  -0.766  -4.291   6.593
  483    HE2  HIS  65           HE2      HIS  65   1.034  -5.320   8.055
  484    H    PHE  66           H        PHE  66  -1.919   0.750  10.381
  485    HA   PHE  66           HA       PHE  66  -0.693   0.890   7.678
  486    HB2  PHE  66           HB3      PHE  66  -2.987   2.517   8.811
  487    HB3  PHE  66           HB2      PHE  66  -2.530   2.364   7.114
  488    HD1  PHE  66           HD1      PHE  66  -3.958   0.603  10.027
  489    HD2  PHE  66           HD2      PHE  66  -3.103   0.394   5.825
  490    HE1  PHE  66           HE1      PHE  66  -5.387  -1.410   9.842
  491    HE2  PHE  66           HE2      PHE  66  -4.532  -1.627   5.637
  492    HZ   PHE  66           HZ       PHE  66  -5.674  -2.529   7.649
  493    H    ARG  67           H        ARG  67   0.051   2.043  10.642
  494    HA   ARG  67           HA       ARG  67   0.368   4.835  10.355
  495    HB2  ARG  67           HB3      ARG  67   0.750   3.541  12.464
  496    HB3  ARG  67           HB2      ARG  67   2.254   2.933  11.783
  497    HG2  ARG  67           HG3      ARG  67   2.988   4.764  13.038
  498    HG3  ARG  67           HG2      ARG  67   2.814   5.465  11.433
  499    HD2  ARG  67           HD3      ARG  67   0.562   6.297  12.040
  500    HD3  ARG  67           HD2      ARG  67   0.750   5.604  13.650
  501    HE   ARG  67           HE       ARG  67   2.858   7.493  12.856
  502   HH11  ARG  67          HH11      ARG  67   2.985   9.343  14.148
  503   HH12  ARG  67          HH12      ARG  67   1.699   9.700  15.253
  504   HH21  ARG  67          HH21      ARG  67  -0.171   6.910  14.397
  505   HH22  ARG  67          HH22      ARG  67  -0.087   8.323  15.394
  506    H    SER  68           H        SER  68   2.522   2.189   9.320
  507    HA   SER  68           HA       SER  68   3.964   4.199   7.638
  508    HB2  SER  68           HB3      SER  68   5.204   1.879   9.140
  509    HB3  SER  68           HB2      SER  68   6.061   2.970   8.055
  510    HG   SER  68           HG       SER  68   4.576   3.849  10.305
  511    H    ILE  69           H        ILE  69   4.616   3.451   5.588
  512    HA   ILE  69           HA       ILE  69   3.006   1.441   4.372
  513    HB   ILE  69           HB       ILE  69   5.623   2.647   3.432
  514   HG12  ILE  69          HG13      ILE  69   2.773   3.433   2.806
  515   HG13  ILE  69          HG12      ILE  69   3.801   4.277   3.953
  516   HG21  ILE  69          HG21      ILE  69   3.820   2.009   1.339
  517   HG22  ILE  69          HG22      ILE  69   3.963   0.584   2.367
  518   HG23  ILE  69          HG23      ILE  69   5.405   1.305   1.653
  519   HD11  ILE  69          HD11      ILE  69   5.356   4.031   1.633
  520   HD12  ILE  69          HD12      ILE  69   4.587   5.500   2.233
  521   HD13  ILE  69          HD13      ILE  69   3.749   4.479   1.065
  522    H    ARG  70           H        ARG  70   6.284   1.365   5.717
  523    HA   ARG  70           HA       ARG  70   7.084  -1.158   4.682
  524    HB2  ARG  70           HB3      ARG  70   7.800   0.167   7.314
  525    HB3  ARG  70           HB2      ARG  70   8.647  -1.219   6.623
  526    HG2  ARG  70           HG3      ARG  70   9.111   0.147   4.577
  527    HG3  ARG  70           HG2      ARG  70   8.387   1.537   5.386
  528    HD2  ARG  70           HD3      ARG  70  10.810  -0.023   6.329
  529    HD3  ARG  70           HD2      ARG  70  10.813   1.611   5.664
  530    HE   ARG  70           HE       ARG  70   9.075   1.410   7.973
  531   HH11  ARG  70          HH11      ARG  70   9.793   2.424   9.861
  532   HH12  ARG  70          HH12      ARG  70  11.460   2.873  10.006
  533   HH21  ARG  70          HH21      ARG  70  12.332   1.664   6.875
  534   HH22  ARG  70          HH22      ARG  70  12.898   2.442   8.315
  535    H    SER  71           H        SER  71   5.160  -0.350   7.559
  536    HA   SER  71           HA       SER  71   5.119  -2.936   8.736
  537    HB2  SER  71           HB3      SER  71   4.196  -0.828   9.772
  538    HB3  SER  71           HB2      SER  71   2.821  -0.957   8.680
  539    HG   SER  71           HG       SER  71   2.830  -1.988  10.943
  540    H    ILE  72           H        ILE  72   3.137  -1.499   6.172
  541    HA   ILE  72           HA       ILE  72   1.306  -3.659   5.870
  542    HB   ILE  72           HB       ILE  72   2.351  -1.709   3.793
  543   HG12  ILE  72          HG13      ILE  72  -0.131  -1.569   5.534
  544   HG13  ILE  72          HG12      ILE  72   1.354  -0.674   5.855
  545   HG21  ILE  72          HG21      ILE  72   0.089  -2.187   2.762
  546   HG22  ILE  72          HG22      ILE  72  -0.068  -3.521   3.905
  547   HG23  ILE  72          HG23      ILE  72   1.227  -3.532   2.708
  548   HD11  ILE  72          HD11      ILE  72   0.130   0.899   4.649
  549   HD12  ILE  72          HD12      ILE  72  -0.622  -0.323   3.623
  550   HD13  ILE  72          HD13      ILE  72   1.063   0.131   3.364
  551    H    ASP  73           H        ASP  73   4.514  -3.021   4.508
  552    HA   ASP  73           HA       ASP  73   4.631  -5.076   2.582
  553    HB2  ASP  73           HB3      ASP  73   6.399  -3.301   3.077
  554    HB3  ASP  73           HB2      ASP  73   6.927  -4.327   4.409
  555    H    ALA  74           H        ALA  74   5.135  -5.231   6.098
  556    HA   ALA  74           HA       ALA  74   6.016  -7.958   6.150
  557    HB1  ALA  74           HB1      ALA  74   5.573  -7.895   8.509
  558    HB2  ALA  74           HB2      ALA  74   4.412  -6.581   8.317
  559    HB3  ALA  74           HB3      ALA  74   6.131  -6.282   8.064
  560    H    PHE  75           H        PHE  75   2.779  -6.506   6.430
  561    HA   PHE  75           HA       PHE  75   1.393  -8.993   6.790
  562    HB2  PHE  75           HB3      PHE  75   0.397  -6.756   7.259
  563    HB3  PHE  75           HB2      PHE  75   0.356  -6.450   5.525
  564    HD1  PHE  75           HD1      PHE  75  -0.981  -8.586   8.240
  565    HD2  PHE  75           HD2      PHE  75  -1.282  -7.485   4.100
  566    HE1  PHE  75           HE1      PHE  75  -3.133  -9.806   8.073
  567    HE2  PHE  75           HE2      PHE  75  -3.434  -8.705   3.931
  568    HZ   PHE  75           HZ       PHE  75  -4.360  -9.866   5.918
  569    H    VAL  76           H        VAL  76   2.068  -7.038   3.884
  570    HA   VAL  76           HA       VAL  76   0.771  -8.798   2.044
  571    HB   VAL  76           HB       VAL  76   2.994  -6.772   1.706
  572   HG11  VAL  76          HG11      VAL  76   1.933  -7.036  -0.761
  573   HG12  VAL  76          HG12      VAL  76   1.755  -8.692  -0.184
  574   HG13  VAL  76          HG13      VAL  76   3.348  -7.939  -0.225
  575   HG21  VAL  76          HG21      VAL  76   0.008  -6.763   1.177
  576   HG22  VAL  76          HG22      VAL  76   1.103  -5.497   0.621
  577   HG23  VAL  76          HG23      VAL  76   0.882  -5.776   2.348
  578    H    VAL  77           H        VAL  77   4.159  -8.595   3.170
  579    HA   VAL  77           HA       VAL  77   5.192 -10.593   1.423
  580    HB   VAL  77           HB       VAL  77   6.043  -9.660   4.173
  581   HG11  VAL  77          HG11      VAL  77   7.072 -11.823   2.409
  582   HG12  VAL  77          HG12      VAL  77   7.124 -11.683   4.165
  583   HG13  VAL  77          HG13      VAL  77   8.267 -10.778   3.174
  584   HG21  VAL  77          HG21      VAL  77   6.220  -8.506   1.619
  585   HG22  VAL  77          HG22      VAL  77   7.823  -9.174   1.923
  586   HG23  VAL  77          HG23      VAL  77   7.120  -8.018   3.054
  587    H    GLY  78           H        GLY  78   3.801 -10.824   4.693
  588    HA2  GLY  78           HA3      GLY  78   4.275 -13.602   5.079
  589    HA3  GLY  78           HA2      GLY  78   2.997 -12.683   5.870
  590    H    ALA  79           H        ALA  79   1.624 -11.911   3.426
  591    HA   ALA  79           HA       ALA  79   0.280 -14.493   2.923
  592    HB1  ALA  79           HB1      ALA  79  -1.586 -13.240   2.205
  593    HB2  ALA  79           HB2      ALA  79  -0.603 -11.817   1.857
  594    HB3  ALA  79           HB3      ALA  79  -0.917 -12.285   3.529
  595    H    THR  80           H        THR  80   1.598 -11.791   0.994
  596    HA   THR  80           HA       THR  80   2.022 -13.750  -1.224
  597    HB   THR  80           HB       THR  80   1.201 -10.861  -1.554
  598    HG1  THR  80           HG1      THR  80  -0.800 -11.566  -1.760
  599   HG21  THR  80          HG21      THR  80   0.719 -11.791  -3.916
  600   HG22  THR  80          HG22      THR  80   1.748 -13.143  -3.442
  601   HG23  THR  80          HG23      THR  80   2.404 -11.506  -3.479
  602    H    THR  81           H        THR  81   4.008 -13.613  -2.241
  603    HA   THR  81           HA       THR  81   5.811 -11.389  -1.393
  604    HB   THR  81           HB       THR  81   6.639 -13.243  -0.189
  605    HG1  THR  81           HG1      THR  81   8.015 -13.489  -2.642
  606   HG21  THR  81          HG21      THR  81   7.046 -15.436  -1.611
  607   HG22  THR  81          HG22      THR  81   5.756 -14.766  -2.610
  608   HG23  THR  81          HG23      THR  81   5.464 -15.108  -0.904
  609    HA   PRO  82           HA       PRO  82   5.771 -11.610  -5.983
  610    HB2  PRO  82           HB3      PRO  82   5.549  -8.930  -6.422
  611    HB3  PRO  82           HB2      PRO  82   4.154  -9.976  -6.101
  612    HG2  PRO  82           HG3      PRO  82   5.493  -8.028  -4.339
  613    HG3  PRO  82           HG2      PRO  82   3.811  -8.573  -4.354
  614    HD2  PRO  82           HD3      PRO  82   5.832  -9.434  -2.572
  615    HD3  PRO  82           HD2      PRO  82   4.230 -10.170  -2.784
  616    HA   PRO  83           HA       PRO  83  10.031 -10.709  -6.725
  617    HB2  PRO  83           HB3      PRO  83   9.900  -9.575  -9.263
  618    HB3  PRO  83           HB2      PRO  83   9.892 -11.316  -8.924
  619    HG2  PRO  83           HG3      PRO  83   7.632  -9.502  -9.558
  620    HG3  PRO  83           HG2      PRO  83   7.883 -11.199 -10.000
  621    HD2  PRO  83           HD3      PRO  83   6.170 -10.446  -8.021
  622    HD3  PRO  83           HD2      PRO  83   7.053 -11.989  -7.984
  623    H    VAL  84           H        VAL  84  11.542  -8.968  -6.612
  624    HA   VAL  84           HA       VAL  84  10.281  -6.326  -6.099
  625    HB   VAL  84           HB       VAL  84  13.110  -7.267  -5.540
  626   HG11  VAL  84          HG11      VAL  84  13.121  -4.895  -5.629
  627   HG12  VAL  84          HG12      VAL  84  12.943  -5.273  -3.916
  628   HG13  VAL  84          HG13      VAL  84  11.538  -4.779  -4.861
  629   HG21  VAL  84          HG21      VAL  84  10.547  -7.367  -3.981
  630   HG22  VAL  84          HG22      VAL  84  12.060  -7.097  -3.116
  631   HG23  VAL  84          HG23      VAL  84  11.843  -8.561  -4.074
  632    H    GLU  85           H        GLU  85  10.572  -4.643  -7.464
  633    HA   GLU  85           HA       GLU  85  12.687  -4.858  -9.557
  634    HB2  GLU  85           HB3      GLU  85   9.877  -3.765  -9.891
  635    HB3  GLU  85           HB2      GLU  85  11.127  -3.772 -11.134
  636    HG2  GLU  85           HG3      GLU  85  11.226  -6.253 -10.987
  637    HG3  GLU  85           HG2      GLU  85   9.912  -6.214  -9.810
  638    H    ALA  86           H        ALA  86  13.304  -2.658 -10.424
  639    HA   ALA  86           HA       ALA  86  14.002  -0.871  -8.351
  640    HB1  ALA  86           HB1      ALA  86  15.050  -0.885 -10.612
  641    HB2  ALA  86           HB2      ALA  86  14.542   0.731 -10.123
  642    HB3  ALA  86           HB3      ALA  86  13.572  -0.185 -11.277
  643    H    LYS  87           H        LYS  87  12.995   0.956  -7.490
  644    HA   LYS  87           HA       LYS  87  10.159   1.076  -7.470
  645    HB2  LYS  87           HB3      LYS  87  11.680   2.091  -5.743
  646    HB3  LYS  87           HB2      LYS  87  12.053   3.373  -6.896
  647    HG2  LYS  87           HG3      LYS  87   9.645   3.946  -7.022
  648    HG3  LYS  87           HG2      LYS  87   9.296   2.692  -5.831
  649    HD2  LYS  87           HD3      LYS  87  10.865   3.859  -4.247
  650    HD3  LYS  87           HD2      LYS  87  10.988   5.171  -5.419
  651    HE2  LYS  87           HE3      LYS  87   8.557   4.269  -3.872
  652    HE3  LYS  87           HE2      LYS  87   9.282   5.875  -3.933
  653    HZ1  LYS  87           HZ1      LYS  87   7.477   4.583  -5.801
  654    HZ2  LYS  87           HZ2      LYS  87   8.740   5.475  -6.505
  655    HZ3  LYS  87           HZ3      LYS  87   7.661   6.227  -5.430
  656    H    LEU  88           H        LEU  88  12.537   2.758  -9.480
  657    HA   LEU  88           HA       LEU  88  10.798   4.656 -10.681
  658    HB2  LEU  88           HB3      LEU  88  13.124   3.200 -11.978
  659    HB3  LEU  88           HB2      LEU  88  12.425   4.729 -12.514
  660    HG   LEU  88           HG       LEU  88  13.802   4.223  -9.858
  661   HD11  LEU  88          HD11      LEU  88  15.662   5.206 -10.748
  662   HD12  LEU  88          HD12      LEU  88  14.721   6.318 -11.743
  663   HD13  LEU  88          HD13      LEU  88  14.973   4.656 -12.275
  664   HD21  LEU  88          HD21      LEU  88  12.227   5.845  -9.302
  665   HD22  LEU  88          HD22      LEU  88  12.168   6.495 -10.941
  666   HD23  LEU  88          HD23      LEU  88  13.542   6.861  -9.895
  667    H    GLN  89           H        GLN  89  11.350   1.235 -11.390
  668    HA   GLN  89           HA       GLN  89   9.672   1.298 -13.787
  669    HB2  GLN  89           HB3      GLN  89  10.796  -1.011 -12.172
  670    HB3  GLN  89           HB2      GLN  89   9.940  -1.184 -13.704
  671    HG2  GLN  89           HG3      GLN  89  11.632   0.194 -14.830
  672    HG3  GLN  89           HG2      GLN  89  12.479   0.424 -13.299
  673   HE21  GLN  89          HE21      GLN  89  13.785  -0.819 -15.519
  674   HE22  GLN  89          HE22      GLN  89  14.057  -2.451 -15.140
  675    H3   7V9 101          1H1       NIA 101 -10.764   1.357   7.857
  676    H4   7V9 101          2H1       NIA 101 -12.100   0.859   8.896
  677    H5   7V9 101          1HE1      NIA 101 -10.882   2.428  11.365
  678    H6   7V9 101          2HE1      NIA 101 -10.046   1.031  12.043
  679    H7   7V9 101          3HE1      NIA 101 -11.695   0.865  11.443
  680    H8   7V9 101          2HE2      NIA 101  -8.943   2.740  10.016
  681    H9   7V9 101          3HE2      NIA 101  -8.616   1.693   8.635
  682    H10  7V9 101          1HE2      NIA 101  -8.099   1.210  10.250
  683    H11  7V9 101          3H        NIA 101 -10.958  -0.982   9.617
  684    H12  7V9 101          3HO       NIA 101  -8.545  -1.260  10.841
  685    H13  7V9 101          5H        NIA 101  -7.327  -1.634   9.201
  686    H14  7V9 101          1H6       NIA 101  -7.847  -3.884   8.766
  687    H15  7V9 101          2H6       NIA 101  -9.457  -3.436   9.321
  688    H16  7V9 101          1H7       NIA 101  -9.204  -2.419   6.687
  689    H17  7V9 101          2H7       NIA 101 -10.222  -3.754   7.227
  690    H18  7V9 101          9H        NIA 101  -6.664  -3.273   6.408
  691    H19  7V9 101          1H10      NIA 101  -7.684  -4.785   4.037
  692    H20  7V9 101          2H10      NIA 101  -6.966  -3.178   3.924
  693    H21  7V9 101          1H11      NIA 101  -5.656  -5.780   3.990
  694    H22  7V9 101          2H11      NIA 101  -5.029  -4.703   5.239
  695    H25  7V9 101          5H1       NIA 101  -1.751  -4.464   2.058
  696    H26  7V9 101          7H1       NIA 101  -1.481  -3.037  -1.877
  697    H27  7V9 101          8H1       NIA 101  -3.863  -3.598  -2.287
  698    H28  7V9 101          9H1       NIA 101  -5.185  -4.667  -0.485
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1  12.154  -0.993   3.321
    2    H2   MET   1           H2       MET   1  11.456  -1.606   1.897
    3    H3   MET   1           H3       MET   1  12.973  -0.842   1.843
    4    HA   MET   1           HA       MET   1  14.033  -2.598   2.968
    5    HB2  MET   1           HB3      MET   1  11.247  -3.728   3.384
    6    HB3  MET   1           HB2      MET   1  12.752  -4.484   3.902
    7    HG2  MET   1           HG3      MET   1  11.683  -1.810   4.855
    8    HG3  MET   1           HG2      MET   1  11.712  -3.306   5.787
    9    HE1  MET   1           HE1      MET   1  15.204  -4.112   6.563
   10    HE2  MET   1           HE2      MET   1  14.867  -4.446   4.867
   11    HE3  MET   1           HE3      MET   1  13.605  -4.686   6.072
   12    H    GLN   2           H        GLN   2  12.596  -5.258   2.298
   13    HA   GLN   2           HA       GLN   2  13.757  -5.684  -0.247
   14    HB2  GLN   2           HB3      GLN   2  13.022  -7.477   1.352
   15    HB3  GLN   2           HB2      GLN   2  11.353  -7.141   0.890
   16    HG2  GLN   2           HG3      GLN   2  12.069  -8.977  -0.472
   17    HG3  GLN   2           HG2      GLN   2  12.063  -7.556  -1.518
   18   HE21  GLN   2          HE21      GLN   2  13.832  -7.857  -2.905
   19   HE22  GLN   2          HE22      GLN   2  15.407  -8.224  -2.386
   20    H    HIS   3           H        HIS   3  10.425  -4.768   0.619
   21    HA   HIS   3           HA       HIS   3  10.072  -3.843  -2.186
   22    HB2  HIS   3           HB3      HIS   3   8.036  -5.510  -0.676
   23    HB3  HIS   3           HB2      HIS   3   7.831  -4.835  -2.293
   24    HD1  HIS   3           HD1      HIS   3   9.864  -5.634  -4.033
   25    HD2  HIS   3           HD2      HIS   3   9.073  -8.070  -0.741
   26    HE1  HIS   3           HE1      HIS   3  10.866  -7.901  -4.561
   27    HE2  HIS   3           HE2      HIS   3  10.389  -9.391  -2.564
   28    H    ALA   4           H        ALA   4  10.195  -2.921   0.889
   29    HA   ALA   4           HA       ALA   4   7.753  -1.561   1.416
   30    HB1  ALA   4           HB1      ALA   4  10.325  -0.273   2.218
   31    HB2  ALA   4           HB2      ALA   4   9.993  -1.889   2.842
   32    HB3  ALA   4           HB3      ALA   4   8.872  -0.569   3.174
   33    H    SER   5           H        SER   5  10.596  -0.606  -0.477
   34    HA   SER   5           HA       SER   5   9.875   2.112  -0.914
   35    HB2  SER   5           HB3      SER   5  11.285   0.256  -2.852
   36    HB3  SER   5           HB2      SER   5  11.347   2.016  -2.858
   37    HG   SER   5           HG       SER   5  12.483   0.170  -1.069
   38    H    VAL   6           H        VAL   6   8.878  -0.868  -2.525
   39    HA   VAL   6           HA       VAL   6   7.470   0.363  -4.700
   40    HB   VAL   6           HB       VAL   6   7.034  -2.294  -3.321
   41   HG11  VAL   6          HG11      VAL   6   5.912  -2.861  -5.535
   42   HG12  VAL   6          HG12      VAL   6   5.902  -1.130  -5.874
   43   HG13  VAL   6          HG13      VAL   6   5.010  -1.764  -4.490
   44   HG21  VAL   6          HG21      VAL   6   8.847  -1.288  -5.447
   45   HG22  VAL   6          HG22      VAL   6   8.096  -2.855  -5.742
   46   HG23  VAL   6          HG23      VAL   6   9.081  -2.608  -4.301
   47    H    ILE   7           H        ILE   7   6.518  -0.497  -1.402
   48    HA   ILE   7           HA       ILE   7   3.727  -0.055  -1.681
   49    HB   ILE   7           HB       ILE   7   5.497   0.451   0.726
   50   HG12  ILE   7          HG13      ILE   7   3.856  -1.988  -0.026
   51   HG13  ILE   7          HG12      ILE   7   5.594  -1.852  -0.295
   52   HG21  ILE   7          HG21      ILE   7   3.207  -0.190   1.845
   53   HG22  ILE   7          HG22      ILE   7   2.521   0.326   0.305
   54   HG23  ILE   7          HG23      ILE   7   3.456   1.461   1.278
   55   HD11  ILE   7          HD11      ILE   7   4.093  -2.219   2.245
   56   HD12  ILE   7          HD12      ILE   7   5.507  -1.167   2.312
   57   HD13  ILE   7          HD13      ILE   7   5.675  -2.834   1.769
   58    H    ALA   8           H        ALA   8   6.306   2.228  -0.715
   59    HA   ALA   8           HA       ALA   8   4.571   4.499  -0.485
   60    HB1  ALA   8           HB1      ALA   8   6.500   5.731  -0.175
   61    HB2  ALA   8           HB2      ALA   8   7.374   4.875  -1.445
   62    HB3  ALA   8           HB3      ALA   8   7.150   4.121   0.134
   63    H    GLN   9           H        GLN   9   6.535   3.255  -3.163
   64    HA   GLN   9           HA       GLN   9   5.792   5.277  -5.060
   65    HB2  GLN   9           HB3      GLN   9   7.739   3.755  -5.341
   66    HB3  GLN   9           HB2      GLN   9   6.629   2.401  -5.548
   67    HG2  GLN   9           HG3      GLN   9   5.723   4.361  -7.339
   68    HG3  GLN   9           HG2      GLN   9   7.478   4.377  -7.492
   69   HE21  GLN   9          HE21      GLN   9   4.837   1.926  -7.196
   70   HE22  GLN   9          HE22      GLN   9   5.505   0.860  -8.336
   71    H    PHE  10           H        PHE  10   4.415   2.149  -4.193
   72    HA   PHE  10           HA       PHE  10   2.484   1.990  -6.290
   73    HB2  PHE  10           HB3      PHE  10   3.196   0.113  -4.778
   74    HB3  PHE  10           HB2      PHE  10   2.275   0.871  -3.481
   75    HD1  PHE  10           HD1      PHE  10   1.950  -0.483  -6.949
   76    HD2  PHE  10           HD2      PHE  10  -0.036   0.466  -3.260
   77    HE1  PHE  10           HE1      PHE  10  -0.098  -1.622  -7.758
   78    HE2  PHE  10           HE2      PHE  10  -2.087  -0.670  -4.072
   79    HZ   PHE  10           HZ       PHE  10  -2.115  -1.716  -6.320
   80    H    VAL  11           H        VAL  11   2.124   3.101  -2.911
   81    HA   VAL  11           HA       VAL  11  -0.585   4.024  -3.359
   82    HB   VAL  11           HB       VAL  11  -0.427   4.919  -1.106
   83   HG11  VAL  11          HG11      VAL  11  -0.407   2.346  -1.655
   84   HG12  VAL  11          HG12      VAL  11  -0.166   2.886   0.007
   85   HG13  VAL  11          HG13      VAL  11   1.218   2.414  -0.976
   86   HG21  VAL  11          HG21      VAL  11   1.645   5.987  -0.936
   87   HG22  VAL  11          HG22      VAL  11   2.514   4.618  -1.629
   88   HG23  VAL  11          HG23      VAL  11   1.911   4.532   0.026
   89    H    VAL  12           H        VAL  12   2.590   5.638  -3.182
   90    HA   VAL  12           HA       VAL  12   1.611   8.311  -3.363
   91    HB   VAL  12           HB       VAL  12   4.234   7.125  -4.277
   92   HG11  VAL  12          HG11      VAL  12   4.788   9.719  -3.804
   93   HG12  VAL  12          HG12      VAL  12   3.125   9.881  -4.367
   94   HG13  VAL  12          HG13      VAL  12   4.337   9.122  -5.400
   95   HG21  VAL  12          HG21      VAL  12   3.812   8.873  -1.872
   96   HG22  VAL  12          HG22      VAL  12   5.059   7.659  -2.157
   97   HG23  VAL  12          HG23      VAL  12   3.412   7.160  -1.773
   98    H    GLU  13           H        GLU  13   2.366   5.930  -5.861
   99    HA   GLU  13           HA       GLU  13   2.295   7.635  -8.117
  100    HB2  GLU  13           HB3      GLU  13   2.939   5.214  -8.145
  101    HB3  GLU  13           HB2      GLU  13   1.236   4.810  -7.980
  102    HG2  GLU  13           HG3      GLU  13   0.769   6.097 -10.068
  103    HG3  GLU  13           HG2      GLU  13   2.505   6.341 -10.250
  104    H    GLU  14           H        GLU  14  -0.322   6.138  -6.286
  105    HA   GLU  14           HA       GLU  14  -2.429   6.876  -8.090
  106    HB2  GLU  14           HB3      GLU  14  -2.637   5.152  -6.297
  107    HB3  GLU  14           HB2      GLU  14  -2.595   6.444  -5.097
  108    HG2  GLU  14           HG3      GLU  14  -4.585   7.474  -6.187
  109    HG3  GLU  14           HG2      GLU  14  -4.656   6.100  -7.291
  110    H    PHE  15           H        PHE  15  -0.937   8.549  -5.336
  111    HA   PHE  15           HA       PHE  15  -2.870  10.766  -5.595
  112    HB2  PHE  15           HB3      PHE  15  -0.462  10.541  -3.770
  113    HB3  PHE  15           HB2      PHE  15  -1.793  11.689  -3.627
  114    HD1  PHE  15           HD1      PHE  15  -0.593   8.439  -2.749
  115    HD2  PHE  15           HD2      PHE  15  -4.179  10.717  -3.360
  116    HE1  PHE  15           HE1      PHE  15  -1.876   6.756  -1.462
  117    HE2  PHE  15           HE2      PHE  15  -5.467   9.039  -2.063
  118    HZ   PHE  15           HZ       PHE  15  -4.316   7.058  -1.116
  119    H    LEU  16           H        LEU  16   0.723  10.615  -5.533
  120    HA   LEU  16           HA       LEU  16   0.703  12.823  -7.559
  121    HB2  LEU  16           HB3      LEU  16   2.231  12.512  -5.005
  122    HB3  LEU  16           HB2      LEU  16   3.010  13.332  -6.357
  123    HG   LEU  16           HG       LEU  16   0.212  14.138  -5.753
  124   HD11  LEU  16          HD11      LEU  16   2.576  14.819  -3.982
  125   HD12  LEU  16          HD12      LEU  16   1.084  14.016  -3.495
  126   HD13  LEU  16          HD13      LEU  16   1.055  15.711  -3.979
  127   HD21  LEU  16          HD21      LEU  16   1.508  15.174  -7.571
  128   HD22  LEU  16          HD22      LEU  16   2.775  15.621  -6.428
  129   HD23  LEU  16          HD23      LEU  16   1.178  16.360  -6.307
  130    HA   PRO  17           HA       PRO  17   3.260   9.387  -9.221
  131    HB2  PRO  17           HB3      PRO  17   2.033   9.290 -11.672
  132    HB3  PRO  17           HB2      PRO  17   1.493   8.368 -10.260
  133    HG2  PRO  17           HG3      PRO  17   0.281  10.696 -11.535
  134    HG3  PRO  17           HG2      PRO  17  -0.436   9.492 -10.457
  135    HD2  PRO  17           HD3      PRO  17   0.401  12.152  -9.787
  136    HD3  PRO  17           HD2      PRO  17  -0.256  10.914  -8.697
  137    H    ASP  18           H        ASP  18   2.467  12.579 -10.385
  138    HA   ASP  18           HA       ASP  18   4.436  12.600 -12.527
  139    HB2  ASP  18           HB3      ASP  18   2.942  14.809 -11.104
  140    HB3  ASP  18           HB2      ASP  18   4.007  15.076 -12.478
  141    H    VAL  19           H        VAL  19   4.675  12.548  -9.223
  142    HA   VAL  19           HA       VAL  19   7.252  14.068  -9.236
  143    HB   VAL  19           HB       VAL  19   5.502  13.343  -6.863
  144   HG11  VAL  19          HG11      VAL  19   7.297  13.928  -5.639
  145   HG12  VAL  19          HG12      VAL  19   7.268  15.526  -6.386
  146   HG13  VAL  19          HG13      VAL  19   8.219  14.231  -7.112
  147   HG21  VAL  19          HG21      VAL  19   5.747  15.845  -8.540
  148   HG22  VAL  19          HG22      VAL  19   5.174  15.906  -6.872
  149   HG23  VAL  19          HG23      VAL  19   4.283  14.978  -8.077
  150    H    ALA  20           H        ALA  20   9.106  12.934  -8.581
  151    HA   ALA  20           HA       ALA  20   9.085  10.105  -8.807
  152    HB1  ALA  20           HB1      ALA  20  11.246  10.730  -9.098
  153    HB2  ALA  20           HB2      ALA  20  11.358  10.632  -7.340
  154    HB3  ALA  20           HB3      ALA  20  11.042  12.183  -8.118
  155    HA   PRO  21           HA       PRO  21   7.357   9.449  -4.667
  156    HB2  PRO  21           HB3      PRO  21   7.533   6.689  -4.677
  157    HB3  PRO  21           HB2      PRO  21   6.185   7.619  -5.361
  158    HG2  PRO  21           HG3      PRO  21   8.454   6.298  -6.721
  159    HG3  PRO  21           HG2      PRO  21   6.790   6.548  -7.268
  160    HD2  PRO  21           HD3      PRO  21   8.930   8.023  -8.152
  161    HD3  PRO  21           HD2      PRO  21   7.256   8.622  -8.153
  162    H    ALA  22           H        ALA  22  10.393   8.132  -5.820
  163    HA   ALA  22           HA       ALA  22  11.378   7.261  -3.244
  164    HB1  ALA  22           HB1      ALA  22  13.634   7.830  -4.693
  165    HB2  ALA  22           HB2      ALA  22  12.447   7.590  -5.976
  166    HB3  ALA  22           HB3      ALA  22  12.744   6.311  -4.798
  167    H    ASP  23           H        ASP  23  10.959  10.328  -4.711
  168    HA   ASP  23           HA       ASP  23  13.058  11.673  -3.163
  169    HB2  ASP  23           HB3      ASP  23  10.788  12.734  -4.875
  170    HB3  ASP  23           HB2      ASP  23  11.999  13.752  -4.095
  171    H    VAL  24           H        VAL  24  10.146  10.351  -2.401
  172    HA   VAL  24           HA       VAL  24   9.444  12.460  -0.419
  173    HB   VAL  24           HB       VAL  24   7.899   9.965  -1.190
  174   HG11  VAL  24          HG11      VAL  24   7.315  12.384   0.520
  175   HG12  VAL  24          HG12      VAL  24   7.171  10.681   0.950
  176   HG13  VAL  24          HG13      VAL  24   6.019  11.407  -0.170
  177   HG21  VAL  24          HG21      VAL  24   6.482  11.503  -2.505
  178   HG22  VAL  24          HG22      VAL  24   8.142  11.516  -3.099
  179   HG23  VAL  24          HG23      VAL  24   7.555  12.842  -2.096
  180    H    ASP  25           H        ASP  25   9.657  12.025   1.781
  181    HA   ASP  25           HA       ASP  25  11.420   9.886   2.553
  182    HB2  ASP  25           HB3      ASP  25  11.166  12.081   3.771
  183    HB3  ASP  25           HB2      ASP  25   9.604  11.508   4.360
  184    H    VAL  26           H        VAL  26  10.497   7.893   1.974
  185    HA   VAL  26           HA       VAL  26   7.801   7.114   2.482
  186    HB   VAL  26           HB       VAL  26   8.577   4.833   2.143
  187   HG11  VAL  26          HG11      VAL  26   8.797   6.810   0.315
  188   HG12  VAL  26          HG12      VAL  26   9.198   5.131  -0.043
  189   HG13  VAL  26          HG13      VAL  26  10.476   6.274   0.368
  190   HG21  VAL  26          HG21      VAL  26  11.143   6.037   3.054
  191   HG22  VAL  26          HG22      VAL  26  11.253   4.791   1.811
  192   HG23  VAL  26          HG23      VAL  26  10.486   4.429   3.356
  193    H    ASP  27           H        ASP  27  10.047   8.027   4.704
  194    HA   ASP  27           HA       ASP  27   9.399   6.000   6.747
  195    HB2  ASP  27           HB3      ASP  27  11.039   8.550   6.866
  196    HB3  ASP  27           HB2      ASP  27  10.841   7.430   8.213
  197    H    LEU  28           H        LEU  28   7.612   8.300   5.438
  198    HA   LEU  28           HA       LEU  28   6.691   9.659   7.883
  199    HB2  LEU  28           HB3      LEU  28   6.786  10.836   5.679
  200    HB3  LEU  28           HB2      LEU  28   5.539   9.746   5.084
  201    HG   LEU  28           HG       LEU  28   4.074  10.499   6.993
  202   HD11  LEU  28          HD11      LEU  28   6.490  12.215   7.458
  203   HD12  LEU  28          HD12      LEU  28   5.440  11.419   8.630
  204   HD13  LEU  28          HD13      LEU  28   4.897  12.883   7.810
  205   HD21  LEU  28          HD21      LEU  28   3.901  11.443   4.690
  206   HD22  LEU  28          HD22      LEU  28   5.042  12.706   5.149
  207   HD23  LEU  28          HD23      LEU  28   3.465  12.617   5.930
  208    H    ASP  29           H        ASP  29   4.914   9.063   9.046
  209    HA   ASP  29           HA       ASP  29   3.792   6.465   8.703
  210    HB2  ASP  29           HB3      ASP  29   2.747   8.869  10.234
  211    HB3  ASP  29           HB2      ASP  29   2.091   7.237  10.375
  212    H    LEU  30           H        LEU  30   2.328   5.825   7.201
  213    HA   LEU  30           HA       LEU  30   1.177   7.580   5.303
  214    HB2  LEU  30           HB3      LEU  30   0.128   4.864   6.169
  215    HB3  LEU  30           HB2      LEU  30  -0.268   5.694   4.663
  216    HG   LEU  30           HG       LEU  30   2.489   4.753   5.507
  217   HD11  LEU  30          HD11      LEU  30   1.885   2.820   4.522
  218   HD12  LEU  30          HD12      LEU  30   1.643   3.698   3.012
  219   HD13  LEU  30          HD13      LEU  30   0.298   3.483   4.133
  220   HD21  LEU  30          HD21      LEU  30   1.479   6.513   3.304
  221   HD22  LEU  30          HD22      LEU  30   2.788   5.392   2.932
  222   HD23  LEU  30          HD23      LEU  30   2.995   6.600   4.199
  223    H    VAL  31           H        VAL  31   0.365   7.152   8.569
  224    HA   VAL  31           HA       VAL  31  -2.426   7.363   8.646
  225    HB   VAL  31           HB       VAL  31  -0.425   8.849  10.377
  226   HG11  VAL  31          HG11      VAL  31  -2.472   8.517  12.014
  227   HG12  VAL  31          HG12      VAL  31  -3.394   8.450  10.513
  228   HG13  VAL  31          HG13      VAL  31  -2.440   9.882  10.899
  229   HG21  VAL  31          HG21      VAL  31  -0.678   6.143  10.089
  230   HG22  VAL  31          HG22      VAL  31  -1.834   6.455  11.384
  231   HG23  VAL  31          HG23      VAL  31  -0.148   6.936  11.572
  232    H    ASP  32           H        ASP  32  -0.033   9.953   8.212
  233    HA   ASP  32           HA       ASP  32  -1.846  12.133   8.040
  234    HB2  ASP  32           HB3      ASP  32   0.683  12.298   8.060
  235    HB3  ASP  32           HB2      ASP  32   0.666  11.786   6.372
  236    H    ASN  33           H        ASN  33  -0.836   9.714   5.702
  237    HA   ASN  33           HA       ASN  33  -2.531  10.880   3.591
  238    HB2  ASN  33           HB3      ASN  33  -0.785   8.413   3.641
  239    HB3  ASN  33           HB2      ASN  33  -1.682   8.971   2.230
  240   HD21  ASN  33          HD21      ASN  33   1.116   8.818   2.076
  241   HD22  ASN  33          HD22      ASN  33   1.769  10.382   2.034
  242    H    GLY  34           H        GLY  34  -3.526   9.663   6.191
  243    HA2  GLY  34           HA3      GLY  34  -4.690   7.181   6.016
  244    HA3  GLY  34           HA2      GLY  34  -5.539   8.552   6.729
  245    H    VAL  35           H        VAL  35  -5.218   9.781   3.853
  246    HA   VAL  35           HA       VAL  35  -7.866   9.368   2.969
  247    HB   VAL  35           HB       VAL  35  -5.358  10.048   1.405
  248   HG11  VAL  35          HG11      VAL  35  -6.919   9.130  -0.183
  249   HG12  VAL  35          HG12      VAL  35  -7.009  10.886  -0.324
  250   HG13  VAL  35          HG13      VAL  35  -8.264  10.005   0.550
  251   HG21  VAL  35          HG21      VAL  35  -7.662  11.878   2.039
  252   HG22  VAL  35          HG22      VAL  35  -5.979  12.288   1.708
  253   HG23  VAL  35          HG23      VAL  35  -6.424  11.570   3.257
  254    H    ILE  36           H        ILE  36  -4.920   7.553   2.285
  255    HA   ILE  36           HA       ILE  36  -6.070   5.801   0.303
  256    HB   ILE  36           HB       ILE  36  -3.565   6.291   0.891
  257   HG12  ILE  36          HG13      ILE  36  -4.690   3.560   0.218
  258   HG13  ILE  36          HG12      ILE  36  -4.101   4.792  -0.902
  259   HG21  ILE  36          HG21      ILE  36  -4.036   5.454   3.294
  260   HG22  ILE  36          HG22      ILE  36  -2.558   4.895   2.511
  261   HG23  ILE  36          HG23      ILE  36  -3.966   3.836   2.597
  262   HD11  ILE  36          HD11      ILE  36  -2.208   3.508  -0.835
  263   HD12  ILE  36          HD12      ILE  36  -2.572   2.867   0.767
  264   HD13  ILE  36          HD13      ILE  36  -1.887   4.483   0.599
  265    H    ASP  37           H        ASP  37  -6.224   5.910   3.755
  266    HA   ASP  37           HA       ASP  37  -6.497   3.192   4.422
  267    HB2  ASP  37           HB3      ASP  37  -7.914   5.581   5.626
  268    HB3  ASP  37           HB2      ASP  37  -7.846   3.981   6.359
  269    H    SER  38           H        SER  38  -8.953   5.375   3.059
  270    HA   SER  38           HA       SER  38 -10.842   3.055   3.067
  271    HB2  SER  38          2HB       SER  38 -11.178   5.883   3.660
  272    HB3  SER  38          1HB       SER  38 -12.309   5.332   2.431
  273    H    LEU  39           H        LEU  39 -10.393   5.991   1.061
  274    HA   LEU  39           HA       LEU  39 -11.573   4.819  -1.243
  275    HB2  LEU  39           HB3      LEU  39 -11.214   7.274  -0.884
  276    HB3  LEU  39           HB2      LEU  39  -9.503   7.014  -1.196
  277    HG   LEU  39           HG       LEU  39 -11.321   5.883  -3.231
  278   HD11  LEU  39          HD11      LEU  39 -12.592   7.846  -3.037
  279   HD12  LEU  39          HD12      LEU  39 -11.401   8.283  -4.262
  280   HD13  LEU  39          HD13      LEU  39 -11.190   8.822  -2.596
  281   HD21  LEU  39          HD21      LEU  39  -8.887   5.858  -3.505
  282   HD22  LEU  39          HD22      LEU  39  -8.824   7.608  -3.294
  283   HD23  LEU  39          HD23      LEU  39  -9.602   6.919  -4.718
  284    H    GLY  40           H        GLY  40  -8.143   5.236  -0.398
  285    HA2  GLY  40           HA3      GLY  40  -7.200   3.820  -2.729
  286    HA3  GLY  40           HA2      GLY  40  -6.242   4.216  -1.310
  287    H    LEU  41           H        LEU  41  -7.709   2.886   0.666
  288    HA   LEU  41           HA       LEU  41  -6.685   0.252   0.477
  289    HB2  LEU  41           HB3      LEU  41  -7.379   1.448   2.596
  290    HB3  LEU  41           HB2      LEU  41  -9.052   1.112   2.159
  291    HG   LEU  41           HG       LEU  41  -7.208  -1.218   2.108
  292   HD11  LEU  41          HD11      LEU  41  -7.890   0.339   4.591
  293   HD12  LEU  41          HD12      LEU  41  -6.349  -0.384   4.128
  294   HD13  LEU  41          HD13      LEU  41  -7.678  -1.411   4.665
  295   HD21  LEU  41          HD21      LEU  41 -10.005  -0.692   3.169
  296   HD22  LEU  41          HD22      LEU  41  -9.210  -2.265   3.193
  297   HD23  LEU  41          HD23      LEU  41  -9.594  -1.496   1.654
  298    H    LEU  42           H        LEU  42  -9.910   1.537  -0.260
  299    HA   LEU  42           HA       LEU  42 -11.191  -0.962  -0.735
  300    HB2  LEU  42           HB3      LEU  42 -12.367   1.252  -0.623
  301    HB3  LEU  42           HB2      LEU  42 -11.682   1.649  -2.191
  302    HG   LEU  42           HG       LEU  42 -12.749  -0.455  -3.098
  303   HD11  LEU  42          HD11      LEU  42 -13.581  -1.891  -1.580
  304   HD12  LEU  42          HD12      LEU  42 -14.866  -0.722  -1.277
  305   HD13  LEU  42          HD13      LEU  42 -13.410  -0.705  -0.287
  306   HD21  LEU  42          HD21      LEU  42 -13.965   2.077  -2.357
  307   HD22  LEU  42          HD22      LEU  42 -15.171   0.791  -2.414
  308   HD23  LEU  42          HD23      LEU  42 -14.177   1.133  -3.831
  309    H    LYS  43           H        LYS  43  -9.348   1.171  -2.913
  310    HA   LYS  43           HA       LYS  43  -9.645  -0.514  -5.227
  311    HB2  LYS  43           HB3      LYS  43  -7.560   1.559  -4.524
  312    HB3  LYS  43           HB2      LYS  43  -7.733   0.821  -6.111
  313    HG2  LYS  43           HG3      LYS  43 -10.088   1.651  -6.196
  314    HG3  LYS  43           HG2      LYS  43  -9.812   2.485  -4.666
  315    HD2  LYS  43           HD3      LYS  43  -7.921   3.724  -5.732
  316    HD3  LYS  43           HD2      LYS  43  -8.332   2.962  -7.268
  317    HE2  LYS  43           HE3      LYS  43  -9.315   5.278  -6.924
  318    HE3  LYS  43           HE2      LYS  43 -10.488   4.019  -7.313
  319    HZ1  LYS  43           HZ1      LYS  43 -10.881   5.629  -5.319
  320    HZ2  LYS  43           HZ2      LYS  43  -9.859   4.548  -4.496
  321    HZ3  LYS  43           HZ3      LYS  43 -11.304   3.990  -5.196
  322    H    VAL  44           H        VAL  44  -7.187  -0.253  -2.679
  323    HA   VAL  44           HA       VAL  44  -5.340  -2.118  -3.836
  324    HB   VAL  44           HB       VAL  44  -5.805  -1.306  -0.955
  325   HG11  VAL  44          HG11      VAL  44  -3.698  -3.028  -2.263
  326   HG12  VAL  44          HG12      VAL  44  -4.660  -3.377  -0.827
  327   HG13  VAL  44          HG13      VAL  44  -3.380  -2.167  -0.758
  328   HG21  VAL  44          HG21      VAL  44  -3.330  -0.443  -2.160
  329   HG22  VAL  44          HG22      VAL  44  -4.633   0.543  -1.495
  330   HG23  VAL  44          HG23      VAL  44  -4.683   0.040  -3.184
  331    H    ILE  45           H        ILE  45  -7.976  -2.554  -1.472
  332    HA   ILE  45           HA       ILE  45  -7.519  -5.327  -1.004
  333    HB   ILE  45           HB       ILE  45  -9.751  -3.411  -0.610
  334   HG12  ILE  45          HG13      ILE  45  -9.640  -4.248   1.641
  335   HG13  ILE  45          HG12      ILE  45  -8.722  -5.665   1.132
  336   HG21  ILE  45          HG21      ILE  45 -11.235  -5.375   0.082
  337   HG22  ILE  45          HG22      ILE  45 -10.156  -6.397  -0.865
  338   HG23  ILE  45          HG23      ILE  45 -11.065  -5.105  -1.651
  339   HD11  ILE  45          HD11      ILE  45  -7.544  -3.479   2.170
  340   HD12  ILE  45          HD12      ILE  45  -7.552  -3.009   0.472
  341   HD13  ILE  45          HD13      ILE  45  -6.750  -4.498   0.971
  342    H    ALA  46           H        ALA  46  -9.752  -3.724  -3.301
  343    HA   ALA  46           HA       ALA  46 -10.604  -6.184  -4.524
  344    HB1  ALA  46           HB1      ALA  46 -12.010  -4.307  -4.885
  345    HB2  ALA  46           HB2      ALA  46 -11.244  -4.589  -6.448
  346    HB3  ALA  46           HB3      ALA  46 -10.661  -3.295  -5.402
  347    H    TRP  47           H        TRP  47  -7.998  -3.889  -5.230
  348    HA   TRP  47           HA       TRP  47  -7.186  -5.136  -7.700
  349    HB2  TRP  47           HB3      TRP  47  -6.457  -2.891  -7.314
  350    HB3  TRP  47           HB2      TRP  47  -5.773  -3.312  -5.744
  351    HD1  TRP  47           HD1      TRP  47  -5.250  -4.186  -9.475
  352    HE1  TRP  47           HE1      TRP  47  -2.744  -4.670  -9.838
  353    HE3  TRP  47           HE3      TRP  47  -3.563  -3.759  -4.674
  354    HZ2  TRP  47           HZ2      TRP  47  -0.341  -4.849  -8.295
  355    HZ3  TRP  47           HZ3      TRP  47  -1.165  -4.090  -4.149
  356    HH2  TRP  47           HH2      TRP  47   0.448  -4.636  -5.953
  357    H    LEU  48           H        LEU  48  -6.095  -5.446  -4.331
  358    HA   LEU  48           HA       LEU  48  -3.955  -7.248  -4.803
  359    HB2  LEU  48           HB3      LEU  48  -4.473  -6.062  -2.637
  360    HB3  LEU  48           HB2      LEU  48  -5.787  -7.200  -2.393
  361    HG   LEU  48           HG       LEU  48  -3.954  -9.012  -2.781
  362   HD11  LEU  48          HD11      LEU  48  -2.412  -6.792  -3.209
  363   HD12  LEU  48          HD12      LEU  48  -1.776  -8.365  -2.735
  364   HD13  LEU  48          HD13      LEU  48  -2.077  -7.130  -1.513
  365   HD21  LEU  48          HD21      LEU  48  -4.744  -9.145  -0.640
  366   HD22  LEU  48          HD22      LEU  48  -4.672  -7.398  -0.405
  367   HD23  LEU  48          HD23      LEU  48  -3.210  -8.370  -0.237
  368    H    GLU  49           H        GLU  49  -7.408  -7.854  -4.158
  369    HA   GLU  49           HA       GLU  49  -7.176 -10.721  -4.214
  370    HB2  GLU  49           HB3      GLU  49  -9.105  -9.654  -3.177
  371    HB3  GLU  49           HB2      GLU  49  -9.568  -8.924  -4.703
  372    HG2  GLU  49           HG3      GLU  49  -9.900 -11.163  -5.673
  373    HG3  GLU  49           HG2      GLU  49  -9.444 -11.893  -4.143
  374    H    ASP  50           H        ASP  50  -7.789  -8.290  -6.716
  375    HA   ASP  50           HA       ASP  50  -8.568 -10.061  -8.789
  376    HB2  ASP  50           HB3      ASP  50  -8.633  -7.540  -8.865
  377    HB3  ASP  50           HB2      ASP  50  -6.893  -7.576  -9.143
  378    H    ARG  51           H        ARG  51  -5.329  -9.099  -7.690
  379    HA   ARG  51           HA       ARG  51  -4.067 -10.713  -9.792
  380    HB2  ARG  51           HB3      ARG  51  -2.953  -9.099  -7.489
  381    HB3  ARG  51           HB2      ARG  51  -1.954  -9.975  -8.645
  382    HG2  ARG  51           HG3      ARG  51  -3.016  -8.692 -10.496
  383    HG3  ARG  51           HG2      ARG  51  -3.926  -7.768  -9.299
  384    HD2  ARG  51           HD3      ARG  51  -1.975  -6.473  -9.888
  385    HD3  ARG  51           HD2      ARG  51  -1.725  -7.103  -8.260
  386    HE   ARG  51           HE       ARG  51  -0.517  -9.025  -9.743
  387   HH11  ARG  51          HH11      ARG  51   1.589  -8.939 -10.555
  388   HH12  ARG  51          HH12      ARG  51   2.312  -7.402 -10.891
  389   HH21  ARG  51          HH21      ARG  51  -0.464  -5.579  -9.895
  390   HH22  ARG  51          HH22      ARG  51   1.151  -5.501 -10.518
  391    H    PHE  52           H        PHE  52  -3.874 -10.760  -6.196
  392    HA   PHE  52           HA       PHE  52  -2.714 -13.430  -6.268
  393    HB2  PHE  52           HB3      PHE  52  -3.595 -11.619  -4.019
  394    HB3  PHE  52           HB2      PHE  52  -2.915 -13.223  -3.753
  395    HD1  PHE  52           HD1      PHE  52  -0.603 -13.754  -4.493
  396    HD2  PHE  52           HD2      PHE  52  -2.212  -9.778  -4.732
  397    HE1  PHE  52           HE1      PHE  52   1.685 -12.846  -4.782
  398    HE2  PHE  52           HE2      PHE  52   0.078  -8.871  -5.020
  399    HZ   PHE  52           HZ       PHE  52   2.026 -10.407  -5.046
  400    H    GLY  53           H        GLY  53  -5.965 -12.181  -5.947
  401    HA2  GLY  53           HA3      GLY  53  -7.970 -13.463  -5.995
  402    HA3  GLY  53           HA2      GLY  53  -6.985 -14.923  -5.991
  403    H    ILE  54           H        ILE  54  -6.718 -12.326  -3.607
  404    HA   ILE  54           HA       ILE  54  -7.389 -14.311  -1.498
  405    HB   ILE  54           HB       ILE  54  -6.231 -11.518  -1.241
  406   HG12  ILE  54          HG13      ILE  54  -4.800 -14.180  -1.029
  407   HG13  ILE  54          HG12      ILE  54  -4.815 -13.207  -2.500
  408   HG21  ILE  54          HG21      ILE  54  -7.262 -13.436   0.654
  409   HG22  ILE  54          HG22      ILE  54  -6.634 -11.816   0.953
  410   HG23  ILE  54          HG23      ILE  54  -5.536 -13.197   0.923
  411   HD11  ILE  54          HD11      ILE  54  -3.812 -11.321  -1.283
  412   HD12  ILE  54          HD12      ILE  54  -2.793 -12.755  -1.143
  413   HD13  ILE  54          HD13      ILE  54  -3.819 -12.266   0.206
  414    H    ALA  55           H        ALA  55  -9.205 -14.036  -0.194
  415    HA   ALA  55           HA       ALA  55 -11.371 -12.459  -1.152
  416    HB1  ALA  55           HB1      ALA  55 -11.430 -13.060   1.732
  417    HB2  ALA  55           HB2      ALA  55 -11.098 -14.460   0.713
  418    HB3  ALA  55           HB3      ALA  55 -12.568 -13.517   0.464
  419    H    ALA  56           H        ALA  56 -12.143 -10.437  -0.532
  420    HA   ALA  56           HA       ALA  56 -10.272  -8.486   0.341
  421    HB1  ALA  56           HB1      ALA  56 -13.270  -8.542   0.086
  422    HB2  ALA  56           HB2      ALA  56 -12.096  -7.608  -0.841
  423    HB3  ALA  56           HB3      ALA  56 -12.475  -7.149   0.819
  424    H    ASP  57           H        ASP  57 -12.621 -10.437   2.109
  425    HA   ASP  57           HA       ASP  57 -11.940  -9.060   4.643
  426    HB2  ASP  57           HB3      ASP  57 -13.936 -11.235   3.991
  427    HB3  ASP  57           HB2      ASP  57 -13.694 -10.571   5.604
  428    H    ASP  58           H        ASP  58 -10.354 -11.188   2.891
  429    HA   ASP  58           HA       ASP  58  -9.971 -13.534   4.381
  430    HB2  ASP  58           HB3      ASP  58  -8.936 -12.986   2.146
  431    HB3  ASP  58           HB2      ASP  58  -7.763 -11.995   3.013
  432    H    VAL  59           H        VAL  59  -8.714 -10.293   4.965
  433    HA   VAL  59           HA       VAL  59  -7.552 -11.309   7.532
  434    HB   VAL  59           HB       VAL  59  -5.816  -9.594   7.348
  435   HG11  VAL  59          HG11      VAL  59  -6.177 -11.341   4.899
  436   HG12  VAL  59          HG12      VAL  59  -5.240 -11.705   6.349
  437   HG13  VAL  59          HG13      VAL  59  -4.693 -10.448   5.238
  438   HG21  VAL  59          HG21      VAL  59  -5.645  -8.290   5.209
  439   HG22  VAL  59          HG22      VAL  59  -7.068  -7.873   6.164
  440   HG23  VAL  59          HG23      VAL  59  -7.230  -8.914   4.750
  441    H    GLU  60           H        GLU  60  -7.571  -9.700   9.286
  442    HA   GLU  60           HA       GLU  60 -10.078  -8.173   9.277
  443    HB2  GLU  60           HB3      GLU  60  -9.311  -9.508  11.258
  444    HB3  GLU  60           HB2      GLU  60  -7.974  -8.381  11.449
  445    HG2  GLU  60           HG3      GLU  60  -9.613  -6.527  11.651
  446    HG3  GLU  60           HG2      GLU  60 -10.916  -7.706  11.570
  447    H    LEU  61           H        LEU  61 -10.177  -5.877   9.695
  448    HA   LEU  61           HA       LEU  61  -8.122  -4.370   8.314
  449    HB2  LEU  61           HB3      LEU  61 -10.362  -3.314  10.065
  450    HB3  LEU  61           HB2      LEU  61  -9.493  -2.432   8.814
  451    HG   LEU  61           HG       LEU  61 -11.313  -4.809   8.412
  452   HD11  LEU  61          HD11      LEU  61 -11.829  -2.422   6.844
  453   HD12  LEU  61          HD12      LEU  61 -11.837  -2.058   8.570
  454   HD13  LEU  61          HD13      LEU  61 -12.911  -3.299   7.925
  455   HD21  LEU  61          HD21      LEU  61  -9.647  -5.137   6.789
  456   HD22  LEU  61          HD22      LEU  61  -9.368  -3.406   6.592
  457   HD23  LEU  61          HD23      LEU  61 -10.825  -4.146   5.928
  458    H    SER  62           H        SER  62  -6.427  -3.227   9.186
  459    HA   SER  62           HA       SER  62  -6.287  -2.961  12.146
  460    HB2  SER  62           HB3      SER  62  -4.600  -4.608  10.438
  461    HB3  SER  62           HB2      SER  62  -3.656  -3.422  11.335
  462    HG   SER  62           HG       SER  62  -5.640  -5.090  12.493
  463    HA   PRO  63           HA       PRO  63  -5.570   1.117  10.049
  464    HB2  PRO  63           HB3      PRO  63  -5.999   1.939  12.874
  465    HB3  PRO  63           HB2      PRO  63  -6.705   2.598  11.391
  466    HG2  PRO  63           HG3      PRO  63  -8.103   1.050  13.065
  467    HG3  PRO  63           HG2      PRO  63  -8.358   1.025  11.313
  468    HD2  PRO  63           HD3      PRO  63  -7.030  -0.997  13.047
  469    HD3  PRO  63           HD2      PRO  63  -7.885  -1.217  11.505
  470    H    GLU  64           H        GLU  64  -4.116  -0.421  12.821
  471    HA   GLU  64           HA       GLU  64  -2.043   1.441  13.396
  472    HB2  GLU  64           HB3      GLU  64  -2.631  -0.551  14.795
  473    HB3  GLU  64           HB2      GLU  64  -1.881  -1.570  13.576
  474    HG2  GLU  64           HG3      GLU  64   0.241  -0.324  13.883
  475    HG3  GLU  64           HG2      GLU  64  -0.520   0.601  15.171
  476    H    HIS  65           H        HIS  65  -2.513  -0.696  10.723
  477    HA   HIS  65           HA       HIS  65   0.226  -1.017   9.923
  478    HB2  HIS  65           HB3      HIS  65  -2.436  -1.521   8.794
  479    HB3  HIS  65           HB2      HIS  65  -1.232  -1.097   7.579
  480    HD1  HIS  65           HD1      HIS  65  -1.139  -3.558   6.702
  481    HD2  HIS  65           HD2      HIS  65  -0.046  -3.145  10.708
  482    HE1  HIS  65           HE1      HIS  65  -0.053  -5.746   7.381
  483    HE2  HIS  65           HE2      HIS  65   0.618  -5.503   9.815
  484    H    PHE  66           H        PHE  66  -2.076   1.598   9.506
  485    HA   PHE  66           HA       PHE  66  -0.635   2.896   7.348
  486    HB2  PHE  66           HB3      PHE  66  -2.577   4.075   9.359
  487    HB3  PHE  66           HB2      PHE  66  -2.056   4.839   7.858
  488    HD1  PHE  66           HD1      PHE  66  -2.239   3.107   5.738
  489    HD2  PHE  66           HD2      PHE  66  -4.653   3.061   9.290
  490    HE1  PHE  66           HE1      PHE  66  -4.025   1.903   4.509
  491    HE2  PHE  66           HE2      PHE  66  -6.438   1.854   8.062
  492    HZ   PHE  66           HZ       PHE  66  -6.123   1.279   5.673
  493    H    ARG  67           H        ARG  67  -0.069   2.573  10.695
  494    HA   ARG  67           HA       ARG  67   1.107   5.049  11.376
  495    HB2  ARG  67           HB3      ARG  67   1.987   2.285  12.258
  496    HB3  ARG  67           HB2      ARG  67   2.353   3.798  13.081
  497    HG2  ARG  67           HG3      ARG  67  -0.470   2.874  12.556
  498    HG3  ARG  67           HG2      ARG  67   0.397   2.480  14.037
  499    HD2  ARG  67           HD3      ARG  67   0.800   5.004  14.282
  500    HD3  ARG  67           HD2      ARG  67  -0.413   5.209  13.019
  501    HE   ARG  67           HE       ARG  67  -1.753   3.623  14.765
  502   HH11  ARG  67          HH11      ARG  67  -2.857   4.330  16.605
  503   HH12  ARG  67          HH12      ARG  67  -2.358   5.789  17.392
  504   HH21  ARG  67          HH21      ARG  67   0.225   6.418  15.166
  505   HH22  ARG  67          HH22      ARG  67  -0.612   6.971  16.578
  506    H    SER  68           H        SER  68   2.486   2.318   9.575
  507    HA   SER  68           HA       SER  68   4.564   4.123   8.552
  508    HB2  SER  68           HB3      SER  68   6.459   2.892   9.363
  509    HB3  SER  68           HB2      SER  68   5.443   3.245  10.758
  510    HG   SER  68           HG       SER  68   5.100   1.184  10.993
  511    H    ILE  69           H        ILE  69   5.409   3.407   6.594
  512    HA   ILE  69           HA       ILE  69   3.936   1.429   5.133
  513    HB   ILE  69           HB       ILE  69   6.611   2.719   4.522
  514   HG12  ILE  69          HG13      ILE  69   3.853   3.475   3.558
  515   HG13  ILE  69          HG12      ILE  69   4.651   4.263   4.909
  516   HG21  ILE  69          HG21      ILE  69   6.551   1.115   2.907
  517   HG22  ILE  69          HG22      ILE  69   5.425   2.238   2.148
  518   HG23  ILE  69          HG23      ILE  69   4.814   0.872   3.078
  519   HD11  ILE  69          HD11      ILE  69   6.617   4.662   3.305
  520   HD12  ILE  69          HD12      ILE  69   5.164   5.623   3.029
  521   HD13  ILE  69          HD13      ILE  69   5.499   4.219   2.014
  522    H    ARG  70           H        ARG  70   7.066   1.392   6.787
  523    HA   ARG  70           HA       ARG  70   8.060  -1.064   5.772
  524    HB2  ARG  70           HB3      ARG  70   9.341   0.586   7.157
  525    HB3  ARG  70           HB2      ARG  70   8.446   0.026   8.571
  526    HG2  ARG  70           HG3      ARG  70   9.263  -2.309   8.051
  527    HG3  ARG  70           HG2      ARG  70  10.314  -1.596   6.825
  528    HD2  ARG  70           HD3      ARG  70  10.352  -1.073   9.807
  529    HD3  ARG  70           HD2      ARG  70  11.625  -1.803   8.828
  530    HE   ARG  70           HE       ARG  70  10.851   0.938   8.083
  531   HH11  ARG  70          HH11      ARG  70  12.538   2.437   8.209
  532   HH12  ARG  70          HH12      ARG  70  14.015   1.997   9.000
  533   HH21  ARG  70          HH21      ARG  70  12.948  -1.204   9.796
  534   HH22  ARG  70          HH22      ARG  70  14.247  -0.063   9.895
  535    H    SER  71           H        SER  71   5.959  -0.440   8.583
  536    HA   SER  71           HA       SER  71   5.909  -3.072   9.612
  537    HB2  SER  71           HB3      SER  71   3.598  -1.114   9.549
  538    HB3  SER  71           HB2      SER  71   3.820  -2.441  10.681
  539    HG   SER  71           HG       SER  71   4.606  -0.040  11.051
  540    H    ILE  72           H        ILE  72   3.905  -1.589   7.061
  541    HA   ILE  72           HA       ILE  72   2.253  -3.902   6.655
  542    HB   ILE  72           HB       ILE  72   2.966  -1.648   4.755
  543   HG12  ILE  72          HG13      ILE  72   0.593  -2.021   6.607
  544   HG13  ILE  72          HG12      ILE  72   1.943  -0.929   6.913
  545   HG21  ILE  72          HG21      ILE  72   1.757  -2.788   3.247
  546   HG22  ILE  72          HG22      ILE  72   0.366  -2.686   4.329
  547   HG23  ILE  72          HG23      ILE  72   1.456  -4.069   4.421
  548   HD11  ILE  72          HD11      ILE  72   1.425   0.348   4.905
  549   HD12  ILE  72          HD12      ILE  72  -0.029   0.226   5.896
  550   HD13  ILE  72          HD13      ILE  72   0.153  -0.795   4.469
  551    H    ASP  73           H        ASP  73   5.294  -2.793   5.199
  552    HA   ASP  73           HA       ASP  73   5.454  -4.670   3.088
  553    HB2  ASP  73           HB3      ASP  73   7.014  -2.689   3.607
  554    HB3  ASP  73           HB2      ASP  73   7.844  -3.787   4.709
  555    H    ALA  74           H        ALA  74   6.417  -5.000   6.503
  556    HA   ALA  74           HA       ALA  74   7.596  -7.599   6.187
  557    HB1  ALA  74           HB1      ALA  74   6.713  -7.613   8.772
  558    HB2  ALA  74           HB2      ALA  74   6.741  -5.882   8.436
  559    HB3  ALA  74           HB3      ALA  74   8.209  -6.840   8.248
  560    H    PHE  75           H        PHE  75   4.310  -6.568   7.091
  561    HA   PHE  75           HA       PHE  75   3.279  -9.198   7.523
  562    HB2  PHE  75           HB3      PHE  75   2.125  -7.082   8.194
  563    HB3  PHE  75           HB2      PHE  75   1.779  -6.784   6.493
  564    HD1  PHE  75           HD1      PHE  75   1.140  -9.065   9.342
  565    HD2  PHE  75           HD2      PHE  75   0.069  -8.003   5.320
  566    HE1  PHE  75           HE1      PHE  75  -0.854 -10.532   9.487
  567    HE2  PHE  75           HE2      PHE  75  -1.925  -9.471   5.465
  568    HZ   PHE  75           HZ       PHE  75  -2.387 -10.734   7.548
  569    H    VAL  76           H        VAL  76   3.211  -7.111   4.623
  570    HA   VAL  76           HA       VAL  76   1.940  -9.054   2.945
  571    HB   VAL  76           HB       VAL  76   3.682  -6.652   2.339
  572   HG11  VAL  76          HG11      VAL  76   2.677  -6.907   0.022
  573   HG12  VAL  76          HG12      VAL  76   2.177  -8.526   0.508
  574   HG13  VAL  76          HG13      VAL  76   3.889  -8.111   0.455
  575   HG21  VAL  76          HG21      VAL  76   1.224  -6.636   3.383
  576   HG22  VAL  76          HG22      VAL  76   0.769  -6.888   1.698
  577   HG23  VAL  76          HG23      VAL  76   1.703  -5.464   2.157
  578    H    VAL  77           H        VAL  77   5.388  -8.188   3.430
  579    HA   VAL  77           HA       VAL  77   6.442 -10.006   1.516
  580    HB   VAL  77           HB       VAL  77   7.578  -8.873   4.082
  581   HG11  VAL  77          HG11      VAL  77   9.761  -9.616   2.720
  582   HG12  VAL  77          HG12      VAL  77   8.657 -10.870   2.157
  583   HG13  VAL  77          HG13      VAL  77   8.974 -10.684   3.881
  584   HG21  VAL  77          HG21      VAL  77   8.191  -7.114   2.798
  585   HG22  VAL  77          HG22      VAL  77   7.094  -7.751   1.572
  586   HG23  VAL  77          HG23      VAL  77   8.807  -8.170   1.527
  587    H    GLY  78           H        GLY  78   5.675 -10.412   4.958
  588    HA2  GLY  78           HA3      GLY  78   6.716 -13.028   5.283
  589    HA3  GLY  78           HA2      GLY  78   5.391 -12.355   6.231
  590    H    ALA  79           H        ALA  79   3.744 -11.926   3.749
  591    HA   ALA  79           HA       ALA  79   2.858 -14.757   3.493
  592    HB1  ALA  79           HB1      ALA  79   1.479 -12.273   3.885
  593    HB2  ALA  79           HB2      ALA  79   0.817 -13.908   3.872
  594    HB3  ALA  79           HB3      ALA  79   0.944 -12.996   2.367
  595    H    THR  80           H        THR  80   3.204 -11.825   1.476
  596    HA   THR  80           HA       THR  80   4.072 -13.556  -0.754
  597    HB   THR  80           HB       THR  80   1.533 -13.291  -0.837
  598    HG1  THR  80           HG1      THR  80   3.241 -12.407  -2.904
  599   HG21  THR  80          HG21      THR  80   0.566 -11.241  -1.021
  600   HG22  THR  80          HG22      THR  80   1.866 -10.612  -2.032
  601   HG23  THR  80          HG23      THR  80   2.062 -10.671  -0.280
  602    H    THR  81           H        THR  81   5.091 -12.323  -2.479
  603    HA   THR  81           HA       THR  81   5.799  -9.527  -1.715
  604    HB   THR  81           HB       THR  81   7.739 -10.732  -1.145
  605    HG1  THR  81           HG1      THR  81   9.079 -10.401  -3.190
  606   HG21  THR  81          HG21      THR  81   7.013 -12.404  -3.533
  607   HG22  THR  81          HG22      THR  81   7.361 -12.914  -1.881
  608   HG23  THR  81          HG23      THR  81   8.673 -12.396  -2.940
  609    HA   PRO  82           HA       PRO  82   3.957  -9.603  -5.949
  610    HB2  PRO  82           HB3      PRO  82   3.580  -6.735  -5.382
  611    HB3  PRO  82           HB2      PRO  82   2.389  -7.952  -5.866
  612    HG2  PRO  82           HG3      PRO  82   2.508  -6.915  -3.381
  613    HG3  PRO  82           HG2      PRO  82   1.937  -8.556  -3.722
  614    HD2  PRO  82           HD3      PRO  82   4.536  -7.672  -2.556
  615    HD3  PRO  82           HD2      PRO  82   3.615  -9.164  -2.266
  616    HA   PRO  83           HA       PRO  83   7.387  -7.986  -8.230
  617    HB2  PRO  83           HB3      PRO  83   6.107  -7.108 -10.513
  618    HB3  PRO  83           HB2      PRO  83   6.493  -8.804 -10.174
  619    HG2  PRO  83           HG3      PRO  83   3.919  -7.352  -9.876
  620    HG3  PRO  83           HG2      PRO  83   4.227  -9.016 -10.404
  621    HD2  PRO  83           HD3      PRO  83   3.335  -8.413  -7.898
  622    HD3  PRO  83           HD2      PRO  83   4.362  -9.823  -8.239
  623    H    VAL  84           H        VAL  84   8.413  -5.988  -8.819
  624    HA   VAL  84           HA       VAL  84   7.106  -3.607  -7.661
  625    HB   VAL  84           HB       VAL  84   9.464  -4.060  -7.108
  626   HG11  VAL  84          HG11      VAL  84   9.900  -5.178  -9.364
  627   HG12  VAL  84          HG12      VAL  84  11.178  -4.116  -8.773
  628   HG13  VAL  84          HG13      VAL  84  10.074  -3.553 -10.027
  629   HG21  VAL  84          HG21      VAL  84   8.423  -1.659  -7.665
  630   HG22  VAL  84          HG22      VAL  84   9.638  -1.704  -8.942
  631   HG23  VAL  84          HG23      VAL  84  10.129  -1.848  -7.255
  632    H    GLU  85           H        GLU  85   6.175  -2.034  -8.896
  633    HA   GLU  85           HA       GLU  85   7.065  -1.351 -11.549
  634    HB2  GLU  85           HB3      GLU  85   5.856  -3.574 -11.915
  635    HB3  GLU  85           HB2      GLU  85   4.375  -2.736 -11.453
  636    HG2  GLU  85           HG3      GLU  85   4.804  -1.064 -13.264
  637    HG3  GLU  85           HG2      GLU  85   6.206  -2.011 -13.758
  638    H    ALA  86           H        ALA  86   3.774  -1.095 -11.704
  639    HA   ALA  86           HA       ALA  86   3.412   1.148  -9.858
  640    HB1  ALA  86           HB1      ALA  86   4.489   1.686 -12.409
  641    HB2  ALA  86           HB2      ALA  86   3.833   2.857 -11.264
  642    HB3  ALA  86           HB3      ALA  86   2.791   2.152 -12.500
  643    H    LYS  87           H        LYS  87   1.154   2.072 -10.122
  644    HA   LYS  87           HA       LYS  87  -0.748  -0.084 -10.461
  645    HB2  LYS  87           HB3      LYS  87  -1.138   2.903 -10.099
  646    HB3  LYS  87           HB2      LYS  87  -2.451   1.726 -10.093
  647    HG2  LYS  87           HG3      LYS  87  -1.326   0.542  -8.201
  648    HG3  LYS  87           HG2      LYS  87  -0.111   1.821  -8.167
  649    HD2  LYS  87           HD3      LYS  87  -1.908   3.492  -7.775
  650    HD3  LYS  87           HD2      LYS  87  -3.093   2.185  -7.741
  651    HE2  LYS  87           HE3      LYS  87  -0.817   1.695  -5.967
  652    HE3  LYS  87           HE2      LYS  87  -1.707   3.156  -5.541
  653    HZ1  LYS  87           HZ1      LYS  87  -2.629   1.201  -4.457
  654    HZ2  LYS  87           HZ2      LYS  87  -2.901   0.469  -5.966
  655    HZ3  LYS  87           HZ3      LYS  87  -3.748   1.877  -5.536
  656    H    LEU  88           H        LEU  88  -2.212  -0.413 -12.162
  657    HA   LEU  88           HA       LEU  88  -1.401   0.316 -14.789
  658    HB2  LEU  88           HB3      LEU  88  -4.175  -0.495 -13.862
  659    HB3  LEU  88           HB2      LEU  88  -3.565  -0.581 -15.514
  660    HG   LEU  88           HG       LEU  88  -2.492  -2.116 -13.129
  661   HD11  LEU  88          HD11      LEU  88  -4.310  -2.751 -15.417
  662   HD12  LEU  88          HD12      LEU  88  -4.361  -3.327 -13.752
  663   HD13  LEU  88          HD13      LEU  88  -3.187  -4.002 -14.882
  664   HD21  LEU  88          HD21      LEU  88  -0.586  -1.809 -14.433
  665   HD22  LEU  88          HD22      LEU  88  -1.507  -1.697 -15.933
  666   HD23  LEU  88          HD23      LEU  88  -1.254  -3.267 -15.167
  667    H    GLN  89           H        GLN  89  -3.675   1.831 -12.546
  668    HA   GLN  89           HA       GLN  89  -4.805   3.686 -14.427
  669    HB2  GLN  89           HB3      GLN  89  -4.471   3.886 -11.418
  670    HB3  GLN  89           HB2      GLN  89  -5.464   4.971 -12.392
  671    HG2  GLN  89           HG3      GLN  89  -6.838   3.079 -13.139
  672    HG3  GLN  89           HG2      GLN  89  -5.827   1.965 -12.216
  673   HE21  GLN  89          HE21      GLN  89  -8.616   2.178 -11.659
  674   HE22  GLN  89          HE22      GLN  89  -8.812   2.888 -10.131
  675    H3   7V9 101          1H1       NIA 101 -11.817   3.303   8.381
  676    H4   7V9 101          2H1       NIA 101 -10.358   3.812   7.533
  677    H5   7V9 101          1HE1      NIA 101 -11.613  -0.102   7.333
  678    H6   7V9 101          2HE1      NIA 101 -12.594   1.175   8.052
  679    H7   7V9 101          3HE1      NIA 101 -11.488   0.241   9.059
  680    H8   7V9 101          2HE2      NIA 101  -9.199   0.753   9.205
  681    H9   7V9 101          3HE2      NIA 101 -10.101   2.119   9.860
  682    H10  7V9 101          1HE2      NIA 101  -8.745   2.399   8.768
  683    H11  7V9 101          3H        NIA 101  -8.995   2.004   6.329
  684    H12  7V9 101          3HO       NIA 101 -11.458   0.734   5.785
  685    H13  7V9 101          5H        NIA 101  -7.260   0.717   6.901
  686    H14  7V9 101          1H6       NIA 101  -7.307  -1.129   8.855
  687    H15  7V9 101          2H6       NIA 101  -7.672  -2.153   7.466
  688    H16  7V9 101          1H7       NIA 101  -5.116  -0.953   8.283
  689    H17  7V9 101          2H7       NIA 101  -5.493  -0.716   6.576
  690    H18  7V9 101          9H        NIA 101  -6.718  -3.907   6.344
  691    H19  7V9 101          1H10      NIA 101  -6.295  -3.147   4.109
  692    H20  7V9 101          2H10      NIA 101  -4.928  -2.211   4.712
  693    H21  7V9 101          1H11      NIA 101  -5.057  -5.079   3.904
  694    H22  7V9 101          2H11      NIA 101  -4.002  -4.671   5.258
  695    H25  7V9 101          5H1       NIA 101  -0.423  -3.975   2.435
  696    H26  7V9 101          7H1       NIA 101  -0.196  -3.661  -1.740
  697    H27  7V9 101          8H1       NIA 101  -2.354  -4.858  -1.987
  698    H28  7V9 101          9H1       NIA 101  -3.731  -5.278   0.050
  Start of MODEL   11
    1    H1   MET   1           H1       MET   1  12.801  -5.093   3.084
    2    H2   MET   1           H2       MET   1  13.550  -5.778   1.721
    3    H3   MET   1           H3       MET   1  12.171  -6.508   2.393
    4    HA   MET   1           HA       MET   1  10.814  -4.627   1.779
    5    HB2  MET   1           HB3      MET   1  13.497  -3.560   0.924
    6    HB3  MET   1           HB2      MET   1  12.017  -2.980   0.158
    7    HG2  MET   1           HG3      MET   1  11.106  -2.383   2.375
    8    HG3  MET   1           HG2      MET   1  12.602  -2.934   3.132
    9    HE1  MET   1           HE1      MET   1  11.730   0.619   3.359
   10    HE2  MET   1           HE2      MET   1  13.373   0.345   3.933
   11    HE3  MET   1           HE3      MET   1  12.141  -0.887   4.191
   12    H    GLN   2           H        GLN   2   9.853  -6.290   0.587
   13    HA   GLN   2           HA       GLN   2  11.109  -6.958  -2.038
   14    HB2  GLN   2           HB3      GLN   2   8.891  -8.340  -0.494
   15    HB3  GLN   2           HB2      GLN   2   9.506  -8.863  -2.062
   16    HG2  GLN   2           HG3      GLN   2  11.746  -9.175  -1.098
   17    HG3  GLN   2           HG2      GLN   2  11.159  -8.616   0.469
   18   HE21  GLN   2          HE21      GLN   2  12.257 -11.227   0.211
   19   HE22  GLN   2          HE22      GLN   2  11.015 -12.367   0.412
   20    H    HIS   3           H        HIS   3  10.001  -6.466  -3.937
   21    HA   HIS   3           HA       HIS   3   8.602  -5.052  -5.218
   22    HB2  HIS   3           HB3      HIS   3   6.420  -5.908  -5.352
   23    HB3  HIS   3           HB2      HIS   3   7.324  -7.269  -4.693
   24    HD1  HIS   3           HD1      HIS   3   7.093  -7.702  -2.086
   25    HD2  HIS   3           HD2      HIS   3   4.475  -4.843  -3.627
   26    HE1  HIS   3           HE1      HIS   3   5.309  -7.337  -0.323
   27    HE2  HIS   3           HE2      HIS   3   3.711  -5.600  -1.251
   28    H    ALA   4           H        ALA   4   9.479  -4.032  -2.515
   29    HA   ALA   4           HA       ALA   4   7.364  -2.594  -1.260
   30    HB1  ALA   4           HB1      ALA   4   9.825  -2.962  -0.496
   31    HB2  ALA   4           HB2      ALA   4   9.043  -1.434  -0.095
   32    HB3  ALA   4           HB3      ALA   4  10.171  -1.519  -1.449
   33    H    SER   5           H        SER   5   9.455  -1.779  -4.010
   34    HA   SER   5           HA       SER   5   8.696   0.948  -4.274
   35    HB2  SER   5           HB3      SER   5   9.356  -0.992  -6.509
   36    HB3  SER   5           HB2      SER   5   9.455   0.765  -6.587
   37    HG   SER   5           HG       SER   5  10.965  -0.999  -4.952
   38    H    VAL   6           H        VAL   6   7.161  -2.021  -5.440
   39    HA   VAL   6           HA       VAL   6   5.156  -0.752  -7.044
   40    HB   VAL   6           HB       VAL   6   5.142  -3.399  -5.585
   41   HG11  VAL   6          HG11      VAL   6   2.853  -2.855  -5.969
   42   HG12  VAL   6          HG12      VAL   6   3.313  -3.915  -7.301
   43   HG13  VAL   6          HG13      VAL   6   3.208  -2.172  -7.555
   44   HG21  VAL   6          HG21      VAL   6   5.440  -2.877  -8.545
   45   HG22  VAL   6          HG22      VAL   6   5.831  -4.347  -7.651
   46   HG23  VAL   6          HG23      VAL   6   6.834  -2.908  -7.465
   47    H    ILE   7           H        ILE   7   5.322  -1.588  -3.620
   48    HA   ILE   7           HA       ILE   7   2.602  -0.985  -2.975
   49    HB   ILE   7           HB       ILE   7   5.070  -0.739  -1.234
   50   HG12  ILE   7          HG13      ILE   7   3.155  -3.070  -1.575
   51   HG13  ILE   7          HG12      ILE   7   4.743  -2.975  -2.338
   52   HG21  ILE   7          HG21      ILE   7   3.481  -1.063   0.621
   53   HG22  ILE   7          HG22      ILE   7   2.143  -1.125  -0.527
   54   HG23  ILE   7          HG23      ILE   7   3.054   0.370  -0.316
   55   HD11  ILE   7          HD11      ILE   7   5.551  -2.495   0.133
   56   HD12  ILE   7          HD12      ILE   7   5.271  -4.149  -0.405
   57   HD13  ILE   7          HD13      ILE   7   4.051  -3.316   0.557
   58    H    ALA   8           H        ALA   8   5.550   1.022  -2.832
   59    HA   ALA   8           HA       ALA   8   4.250   3.372  -1.856
   60    HB1  ALA   8           HB1      ALA   8   6.497   3.688  -1.655
   61    HB2  ALA   8           HB2      ALA   8   6.339   4.389  -3.265
   62    HB3  ALA   8           HB3      ALA   8   6.861   2.715  -3.080
   63    H    GLN   9           H        GLN   9   5.138   2.472  -5.207
   64    HA   GLN   9           HA       GLN   9   3.881   4.811  -6.335
   65    HB2  GLN   9           HB3      GLN   9   4.055   3.530  -8.504
   66    HB3  GLN   9           HB2      GLN   9   5.579   3.700  -7.633
   67    HG2  GLN   9           HG3      GLN   9   5.788   1.463  -7.673
   68    HG3  GLN   9           HG2      GLN   9   4.371   1.358  -6.631
   69   HE21  GLN   9          HE21      GLN   9   2.202   1.278  -7.783
   70   HE22  GLN   9          HE22      GLN   9   2.132   0.578  -9.328
   71    H    PHE  10           H        PHE  10   2.797   1.464  -5.842
   72    HA   PHE  10           HA       PHE  10   0.300   1.739  -7.207
   73    HB2  PHE  10           HB3      PHE  10   1.275  -0.445  -6.540
   74    HB3  PHE  10           HB2      PHE  10   0.963  -0.048  -4.850
   75    HD1  PHE  10           HD1      PHE  10  -0.614  -0.772  -8.125
   76    HD2  PHE  10           HD2      PHE  10  -1.256  -0.153  -3.923
   77    HE1  PHE  10           HE1      PHE  10  -2.937  -1.609  -8.357
   78    HE2  PHE  10           HE2      PHE  10  -3.578  -0.989  -4.154
   79    HZ   PHE  10           HZ       PHE  10  -4.420  -1.717  -6.370
   80    H    VAL  11           H        VAL  11   1.049   2.008  -3.718
   81    HA   VAL  11           HA       VAL  11  -1.622   2.831  -3.015
   82    HB   VAL  11           HB       VAL  11   0.200   1.888  -1.462
   83   HG11  VAL  11          HG11      VAL  11   1.855   3.687  -2.263
   84   HG12  VAL  11          HG12      VAL  11   1.780   3.395  -0.526
   85   HG13  VAL  11          HG13      VAL  11   0.969   4.799  -1.219
   86   HG21  VAL  11          HG21      VAL  11  -1.829   2.581  -0.454
   87   HG22  VAL  11          HG22      VAL  11  -1.529   4.278  -0.826
   88   HG23  VAL  11          HG23      VAL  11  -0.587   3.471   0.426
   89    H    VAL  12           H        VAL  12   1.357   4.619  -3.759
   90    HA   VAL  12           HA       VAL  12   0.287   7.217  -3.166
   91    HB   VAL  12           HB       VAL  12   2.531   6.363  -4.999
   92   HG11  VAL  12          HG11      VAL  12   2.474   8.480  -5.767
   93   HG12  VAL  12          HG12      VAL  12   2.971   8.984  -4.153
   94   HG13  VAL  12          HG13      VAL  12   1.259   8.950  -4.579
   95   HG21  VAL  12          HG21      VAL  12   3.948   6.633  -3.179
   96   HG22  VAL  12          HG22      VAL  12   2.497   6.053  -2.361
   97   HG23  VAL  12          HG23      VAL  12   2.869   7.776  -2.380
   98    H    GLU  13           H        GLU  13   0.352   5.246  -6.104
   99    HA   GLU  13           HA       GLU  13  -0.493   7.136  -7.993
  100    HB2  GLU  13           HB3      GLU  13   0.102   4.768  -8.503
  101    HB3  GLU  13           HB2      GLU  13  -1.444   4.276  -7.823
  102    HG2  GLU  13           HG3      GLU  13  -2.605   5.730  -9.475
  103    HG3  GLU  13           HG2      GLU  13  -1.040   6.105 -10.191
  104    H    GLU  14           H        GLU  14  -2.344   5.582  -5.448
  105    HA   GLU  14           HA       GLU  14  -4.951   6.224  -6.453
  106    HB2  GLU  14           HB3      GLU  14  -3.974   5.834  -3.609
  107    HB3  GLU  14           HB2      GLU  14  -5.673   5.935  -4.076
  108    HG2  GLU  14           HG3      GLU  14  -5.346   3.991  -5.592
  109    HG3  GLU  14           HG2      GLU  14  -3.676   3.865  -5.037
  110    H    PHE  15           H        PHE  15  -2.555   8.090  -4.672
  111    HA   PHE  15           HA       PHE  15  -4.274  10.484  -5.059
  112    HB2  PHE  15           HB3      PHE  15  -3.903  11.241  -2.769
  113    HB3  PHE  15           HB2      PHE  15  -4.655   9.646  -2.741
  114    HD1  PHE  15           HD1      PHE  15  -1.732  11.600  -1.843
  115    HD2  PHE  15           HD2      PHE  15  -3.215   7.603  -2.375
  116    HE1  PHE  15           HE1      PHE  15   0.180  10.715  -0.536
  117    HE2  PHE  15           HE2      PHE  15  -1.304   6.720  -1.064
  118    HZ   PHE  15           HZ       PHE  15   0.393   8.276  -0.145
  119    H    LEU  16           H        LEU  16  -1.906   9.651  -6.491
  120    HA   LEU  16           HA       LEU  16   0.327  11.160  -5.399
  121    HB2  LEU  16           HB3      LEU  16   1.608  10.172  -7.001
  122    HB3  LEU  16           HB2      LEU  16   0.262   9.054  -7.053
  123    HG   LEU  16           HG       LEU  16   0.651  11.424  -8.916
  124   HD11  LEU  16          HD11      LEU  16   0.630   9.136 -10.423
  125   HD12  LEU  16          HD12      LEU  16   1.483   8.606  -8.974
  126   HD13  LEU  16          HD13      LEU  16   2.086   9.981  -9.898
  127   HD21  LEU  16          HD21      LEU  16  -1.733  10.187  -8.211
  128   HD22  LEU  16          HD22      LEU  16  -1.240   9.293  -9.645
  129   HD23  LEU  16          HD23      LEU  16  -1.444  11.043  -9.723
  130    HA   PRO  17           HA       PRO  17  -1.072  14.976  -7.291
  131    HB2  PRO  17           HB3      PRO  17   1.060  16.540  -6.645
  132    HB3  PRO  17           HB2      PRO  17  -0.136  16.028  -5.441
  133    HG2  PRO  17           HG3      PRO  17   2.581  14.946  -5.986
  134    HG3  PRO  17           HG2      PRO  17   1.764  15.221  -4.439
  135    HD2  PRO  17           HD3      PRO  17   1.948  12.753  -5.648
  136    HD3  PRO  17           HD2      PRO  17   0.655  13.214  -4.521
  137    H    ASP  18           H        ASP  18   0.960  16.786  -8.378
  138    HA   ASP  18           HA       ASP  18   1.342  15.509 -10.964
  139    HB2  ASP  18           HB3      ASP  18   2.192  18.193  -9.865
  140    HB3  ASP  18           HB2      ASP  18   2.446  17.692 -11.532
  141    H    VAL  19           H        VAL  19   2.838  14.733  -8.326
  142    HA   VAL  19           HA       VAL  19   5.606  14.877  -9.457
  143    HB   VAL  19           HB       VAL  19   4.754  14.408  -6.584
  144   HG11  VAL  19          HG11      VAL  19   7.328  15.228  -6.489
  145   HG12  VAL  19          HG12      VAL  19   7.340  14.405  -8.048
  146   HG13  VAL  19          HG13      VAL  19   6.869  13.529  -6.592
  147   HG21  VAL  19          HG21      VAL  19   4.690  16.792  -8.035
  148   HG22  VAL  19          HG22      VAL  19   6.233  16.853  -7.183
  149   HG23  VAL  19          HG23      VAL  19   4.733  16.650  -6.278
  150    H    ALA  20           H        ALA  20   6.651  12.952  -9.879
  151    HA   ALA  20           HA       ALA  20   5.115  10.530  -9.982
  152    HB1  ALA  20           HB1      ALA  20   7.273   9.470 -10.629
  153    HB2  ALA  20           HB2      ALA  20   8.102  10.973 -10.223
  154    HB3  ALA  20           HB3      ALA  20   6.942  10.937 -11.552
  155    HA   PRO  21           HA       PRO  21   5.521   9.008  -5.796
  156    HB2  PRO  21           HB3      PRO  21   6.160   6.364  -6.978
  157    HB3  PRO  21           HB2      PRO  21   4.877   6.811  -5.843
  158    HG2  PRO  21           HG3      PRO  21   4.458   6.284  -8.470
  159    HG3  PRO  21           HG2      PRO  21   3.423   7.331  -7.492
  160    HD2  PRO  21           HD3      PRO  21   5.283   8.066  -9.651
  161    HD3  PRO  21           HD2      PRO  21   3.942   8.991  -8.940
  162    H    ALA  22           H        ALA  22   7.954   8.183  -8.216
  163    HA   ALA  22           HA       ALA  22   9.971   7.222  -6.424
  164    HB1  ALA  22           HB1      ALA  22  11.390   8.365  -8.477
  165    HB2  ALA  22           HB2      ALA  22   9.819   8.103  -9.233
  166    HB3  ALA  22           HB3      ALA  22  10.695   6.745  -8.526
  167    H    ASP  23           H        ASP  23   8.871  10.423  -7.232
  168    HA   ASP  23           HA       ASP  23  11.228  11.654  -5.914
  169    HB2  ASP  23           HB3      ASP  23   8.883  12.846  -7.421
  170    HB3  ASP  23           HB2      ASP  23  10.151  13.805  -6.658
  171    H    VAL  24           H        VAL  24   8.582  10.217  -4.826
  172    HA   VAL  24           HA       VAL  24   7.822  12.340  -2.881
  173    HB   VAL  24           HB       VAL  24   6.580   9.611  -3.357
  174   HG11  VAL  24          HG11      VAL  24   4.642  10.916  -2.167
  175   HG12  VAL  24          HG12      VAL  24   5.942  11.954  -1.582
  176   HG13  VAL  24          HG13      VAL  24   5.943  10.234  -1.191
  177   HG21  VAL  24          HG21      VAL  24   4.825  10.832  -4.552
  178   HG22  VAL  24          HG22      VAL  24   6.386  11.158  -5.306
  179   HG23  VAL  24          HG23      VAL  24   5.651  12.360  -4.247
  180    H    ASP  25           H        ASP  25   8.357  12.133  -0.721
  181    HA   ASP  25           HA       ASP  25  10.452  10.288  -0.011
  182    HB2  ASP  25           HB3      ASP  25   8.689  12.072   1.694
  183    HB3  ASP  25           HB2      ASP  25  10.079  11.177   2.309
  184    H    VAL  26           H        VAL  26   9.500   8.199  -0.483
  185    HA   VAL  26           HA       VAL  26   7.069   7.242   0.663
  186    HB   VAL  26           HB       VAL  26   7.944   5.002   0.214
  187   HG11  VAL  26          HG11      VAL  26   8.456   5.265  -2.154
  188   HG12  VAL  26          HG12      VAL  26   8.921   6.948  -1.899
  189   HG13  VAL  26          HG13      VAL  26   7.239   6.458  -1.699
  190   HG21  VAL  26          HG21      VAL  26  10.469   6.363   0.677
  191   HG22  VAL  26          HG22      VAL  26  10.502   5.482  -0.850
  192   HG23  VAL  26          HG23      VAL  26  10.128   4.632   0.650
  193    H    ASP  27           H        ASP  27   9.705   8.386   2.263
  194    HA   ASP  27           HA       ASP  27   9.641   6.417   4.472
  195    HB2  ASP  27           HB3      ASP  27  11.248   8.957   4.053
  196    HB3  ASP  27           HB2      ASP  27  11.393   7.914   5.468
  197    H    LEU  28           H        LEU  28   7.619   8.718   3.524
  198    HA   LEU  28           HA       LEU  28   7.271  10.116   6.104
  199    HB2  LEU  28           HB3      LEU  28   6.989  11.309   3.918
  200    HB3  LEU  28           HB2      LEU  28   5.602  10.278   3.579
  201    HG   LEU  28           HG       LEU  28   4.925  11.154   6.051
  202   HD11  LEU  28          HD11      LEU  28   5.538  13.439   6.372
  203   HD12  LEU  28          HD12      LEU  28   6.270  13.539   4.771
  204   HD13  LEU  28          HD13      LEU  28   7.039  12.577   6.033
  205   HD21  LEU  28          HD21      LEU  28   4.460  12.422   3.343
  206   HD22  LEU  28          HD22      LEU  28   3.609  12.953   4.793
  207   HD23  LEU  28          HD23      LEU  28   3.409  11.300   4.210
  208    H    ASP  29           H        ASP  29   5.631   9.639   7.548
  209    HA   ASP  29           HA       ASP  29   4.360   7.069   7.382
  210    HB2  ASP  29           HB3      ASP  29   3.741   9.483   9.117
  211    HB3  ASP  29           HB2      ASP  29   3.014   7.890   9.336
  212    H    LEU  30           H        LEU  30   2.642   6.569   6.114
  213    HA   LEU  30           HA       LEU  30   1.242   8.626   4.647
  214    HB2  LEU  30           HB3      LEU  30  -0.033   6.809   3.677
  215    HB3  LEU  30           HB2      LEU  30   1.650   6.294   3.805
  216    HG   LEU  30           HG       LEU  30   0.552   5.580   6.261
  217   HD11  LEU  30          HD11      LEU  30  -1.684   6.068   5.068
  218   HD12  LEU  30          HD12      LEU  30  -1.519   4.501   5.857
  219   HD13  LEU  30          HD13      LEU  30  -1.340   4.630   4.108
  220   HD21  LEU  30          HD21      LEU  30   2.163   4.263   4.995
  221   HD22  LEU  30          HD22      LEU  30   0.974   3.968   3.726
  222   HD23  LEU  30          HD23      LEU  30   0.749   3.263   5.327
  223    H    VAL  31           H        VAL  31   0.986   7.887   7.825
  224    HA   VAL  31           HA       VAL  31  -1.753   7.492   8.353
  225    HB   VAL  31           HB       VAL  31   0.188   7.676  10.035
  226   HG11  VAL  31          HG11      VAL  31   0.740   9.833  10.890
  227   HG12  VAL  31          HG12      VAL  31  -0.593  10.597  10.023
  228   HG13  VAL  31          HG13      VAL  31   0.806   9.996   9.136
  229   HG21  VAL  31          HG21      VAL  31  -1.361   8.660  11.796
  230   HG22  VAL  31          HG22      VAL  31  -2.054   7.347  10.844
  231   HG23  VAL  31          HG23      VAL  31  -2.490   9.019  10.490
  232    H    ASP  32           H        ASP  32  -0.015  10.463   7.527
  233    HA   ASP  32           HA       ASP  32  -2.175  12.288   7.885
  234    HB2  ASP  32           HB3      ASP  32   0.095  12.303   5.867
  235    HB3  ASP  32           HB2      ASP  32  -0.995  13.663   6.137
  236    H    ASN  33           H        ASN  33  -1.316  10.051   5.330
  237    HA   ASN  33           HA       ASN  33  -3.506  10.918   3.579
  238    HB2  ASN  33           HB3      ASN  33  -1.722   8.483   3.377
  239    HB3  ASN  33           HB2      ASN  33  -2.737   9.144   2.098
  240   HD21  ASN  33          HD21      ASN  33  -1.395  11.661   3.962
  241   HD22  ASN  33          HD22      ASN  33  -0.088  12.042   2.949
  242    H    GLY  34           H        GLY  34  -3.742   9.655   6.411
  243    HA2  GLY  34           HA3      GLY  34  -4.791   7.114   6.472
  244    HA3  GLY  34           HA2      GLY  34  -5.491   8.428   7.418
  245    H    VAL  35           H        VAL  35  -6.027   9.751   4.648
  246    HA   VAL  35           HA       VAL  35  -8.774   9.162   4.448
  247    HB   VAL  35           HB       VAL  35  -6.817  10.074   2.319
  248   HG11  VAL  35          HG11      VAL  35  -8.468   9.560   0.852
  249   HG12  VAL  35          HG12      VAL  35  -9.329  10.930   1.552
  250   HG13  VAL  35          HG13      VAL  35  -9.644   9.297   2.139
  251   HG21  VAL  35          HG21      VAL  35  -8.928  11.862   3.342
  252   HG22  VAL  35          HG22      VAL  35  -7.215  12.183   3.075
  253   HG23  VAL  35          HG23      VAL  35  -7.742  11.376   4.553
  254    H    ILE  36           H        ILE  36  -5.996   7.577   2.984
  255    HA   ILE  36           HA       ILE  36  -7.484   5.809   1.256
  256    HB   ILE  36           HB       ILE  36  -4.946   6.446   1.250
  257   HG12  ILE  36          HG13      ILE  36  -6.103   3.705   0.728
  258   HG13  ILE  36          HG12      ILE  36  -5.698   4.968  -0.437
  259   HG21  ILE  36          HG21      ILE  36  -4.777   5.545   3.668
  260   HG22  ILE  36          HG22      ILE  36  -3.500   5.088   2.542
  261   HG23  ILE  36          HG23      ILE  36  -4.785   3.943   2.931
  262   HD11  ILE  36          HD11      ILE  36  -3.910   3.016   0.938
  263   HD12  ILE  36          HD12      ILE  36  -3.265   4.625   0.611
  264   HD13  ILE  36          HD13      ILE  36  -3.850   3.622  -0.717
  265    H    ASP  37           H        ASP  37  -6.929   5.874   4.637
  266    HA   ASP  37           HA       ASP  37  -6.815   3.153   5.329
  267    HB2  ASP  37           HB3      ASP  37  -8.202   5.414   6.789
  268    HB3  ASP  37           HB2      ASP  37  -7.850   3.836   7.486
  269    H    SER  38           H        SER  38  -9.658   5.052   4.376
  270    HA   SER  38           HA       SER  38 -11.275   2.552   4.699
  271    HB2  SER  38          2HB       SER  38 -12.134   5.440   4.911
  272    HB3  SER  38          1HB       SER  38 -13.240   4.070   4.935
  273    H    LEU  39           H        LEU  39 -11.574   5.598   2.844
  274    HA   LEU  39           HA       LEU  39 -13.102   4.415   0.763
  275    HB2  LEU  39           HB3      LEU  39 -11.340   6.865   0.691
  276    HB3  LEU  39           HB2      LEU  39 -12.527   6.447  -0.541
  277    HG   LEU  39           HG       LEU  39 -14.005   6.261   1.771
  278   HD11  LEU  39          HD11      LEU  39 -12.439   8.814   2.067
  279   HD12  LEU  39          HD12      LEU  39 -11.885   7.337   2.854
  280   HD13  LEU  39          HD13      LEU  39 -13.468   8.006   3.248
  281   HD21  LEU  39          HD21      LEU  39 -15.025   8.364   1.021
  282   HD22  LEU  39          HD22      LEU  39 -14.627   7.359  -0.373
  283   HD23  LEU  39          HD23      LEU  39 -13.598   8.727   0.050
  284    H    GLY  40           H        GLY  40  -9.627   5.159   0.887
  285    HA2  GLY  40           HA3      GLY  40  -9.092   4.026  -1.708
  286    HA3  GLY  40           HA2      GLY  40  -7.887   4.424  -0.492
  287    H    LEU  41           H        LEU  41  -8.788   2.797   1.616
  288    HA   LEU  41           HA       LEU  41  -7.602   0.302   0.911
  289    HB2  LEU  41           HB3      LEU  41  -8.779   1.497   3.277
  290    HB3  LEU  41           HB2      LEU  41  -9.220  -0.205   3.142
  291    HG   LEU  41           HG       LEU  41  -6.390   0.872   2.944
  292   HD11  LEU  41          HD11      LEU  41  -6.455   0.905   5.199
  293   HD12  LEU  41          HD12      LEU  41  -6.653  -0.846   5.145
  294   HD13  LEU  41          HD13      LEU  41  -8.071   0.198   5.217
  295   HD21  LEU  41          HD21      LEU  41  -7.613  -1.619   2.190
  296   HD22  LEU  41          HD22      LEU  41  -6.531  -1.903   3.554
  297   HD23  LEU  41          HD23      LEU  41  -5.915  -1.155   2.081
  298    H    LEU  42           H        LEU  42 -10.995   1.314   1.128
  299    HA   LEU  42           HA       LEU  42 -12.162  -1.259   0.786
  300    HB2  LEU  42           HB3      LEU  42 -13.415   0.857   1.341
  301    HB3  LEU  42           HB2      LEU  42 -13.216   1.352  -0.335
  302    HG   LEU  42           HG       LEU  42 -14.239  -1.010  -0.862
  303   HD11  LEU  42          HD11      LEU  42 -15.810  -0.584   1.610
  304   HD12  LEU  42          HD12      LEU  42 -14.186  -1.229   1.838
  305   HD13  LEU  42          HD13      LEU  42 -15.340  -2.088   0.819
  306   HD21  LEU  42          HD21      LEU  42 -15.755   1.414   0.140
  307   HD22  LEU  42          HD22      LEU  42 -16.553   0.044  -0.634
  308   HD23  LEU  42          HD23      LEU  42 -15.371   0.999  -1.531
  309    H    LYS  43           H        LYS  43 -11.080   1.148  -1.613
  310    HA   LYS  43           HA       LYS  43 -11.820  -0.406  -3.909
  311    HB2  LYS  43           HB3      LYS  43  -9.708   1.728  -3.553
  312    HB3  LYS  43           HB2      LYS  43 -10.220   1.086  -5.108
  313    HG2  LYS  43           HG3      LYS  43 -12.558   1.793  -4.584
  314    HG3  LYS  43           HG2      LYS  43 -11.963   2.539  -3.100
  315    HD2  LYS  43           HD3      LYS  43 -10.424   3.948  -4.473
  316    HD3  LYS  43           HD2      LYS  43 -11.147   3.265  -5.929
  317    HE2  LYS  43           HE3      LYS  43 -12.292   5.327  -5.538
  318    HE3  LYS  43           HE2      LYS  43 -13.399   4.055  -5.023
  319    HZ1  LYS  43           HZ1      LYS  43 -11.931   6.003  -3.424
  320    HZ2  LYS  43           HZ2      LYS  43 -12.116   4.449  -2.763
  321    HZ3  LYS  43           HZ3      LYS  43 -13.483   5.359  -3.194
  322    H    VAL  44           H        VAL  44  -8.892  -0.196  -1.935
  323    HA   VAL  44           HA       VAL  44  -7.236  -1.848  -3.594
  324    HB   VAL  44           HB       VAL  44  -7.165  -1.335  -0.610
  325   HG11  VAL  44          HG11      VAL  44  -4.773  -2.101  -0.844
  326   HG12  VAL  44          HG12      VAL  44  -5.175  -2.671  -2.463
  327   HG13  VAL  44          HG13      VAL  44  -5.965  -3.383  -1.056
  328   HG21  VAL  44          HG21      VAL  44  -6.245   0.641  -1.181
  329   HG22  VAL  44          HG22      VAL  44  -6.542   0.270  -2.879
  330   HG23  VAL  44          HG23      VAL  44  -5.012  -0.191  -2.131
  331    H    ILE  45           H        ILE  45  -9.457  -2.624  -0.929
  332    HA   ILE  45           HA       ILE  45  -8.783  -5.356  -0.637
  333    HB   ILE  45           HB       ILE  45 -11.165  -3.668  -0.050
  334   HG12  ILE  45          HG13      ILE  45 -10.871  -4.856   2.172
  335   HG13  ILE  45          HG12      ILE  45  -9.456  -5.649   1.486
  336   HG21  ILE  45          HG21      ILE  45 -11.248  -6.673  -0.322
  337   HG22  ILE  45          HG22      ILE  45 -12.363  -5.483  -0.997
  338   HG23  ILE  45          HG23      ILE  45 -12.352  -5.796   0.737
  339   HD11  ILE  45          HD11      ILE  45  -8.586  -3.747   2.595
  340   HD12  ILE  45          HD12      ILE  45  -9.884  -2.709   2.012
  341   HD13  ILE  45          HD13      ILE  45  -8.638  -3.274   0.900
  342    H    ALA  46           H        ALA  46 -11.296  -3.885  -2.732
  343    HA   ALA  46           HA       ALA  46 -12.085  -6.357  -3.942
  344    HB1  ALA  46           HB1      ALA  46 -13.317  -5.049  -5.460
  345    HB2  ALA  46           HB2      ALA  46 -12.151  -3.726  -5.410
  346    HB3  ALA  46           HB3      ALA  46 -13.222  -4.011  -4.038
  347    H    TRP  47           H        TRP  47  -9.592  -3.982  -4.755
  348    HA   TRP  47           HA       TRP  47  -8.828  -5.161  -7.263
  349    HB2  TRP  47           HB3      TRP  47  -8.124  -2.921  -6.836
  350    HB3  TRP  47           HB2      TRP  47  -7.404  -3.367  -5.290
  351    HD1  TRP  47           HD1      TRP  47  -6.877  -3.884  -9.070
  352    HE1  TRP  47           HE1      TRP  47  -4.376  -4.366  -9.474
  353    HE3  TRP  47           HE3      TRP  47  -5.233  -4.111  -4.243
  354    HZ2  TRP  47           HZ2      TRP  47  -1.991  -4.791  -7.947
  355    HZ3  TRP  47           HZ3      TRP  47  -2.848  -4.553  -3.744
  356    HH2  TRP  47           HH2      TRP  47  -1.226  -4.893  -5.587
  357    H    LEU  48           H        LEU  48  -7.729  -5.616  -3.926
  358    HA   LEU  48           HA       LEU  48  -5.531  -7.331  -4.467
  359    HB2  LEU  48           HB3      LEU  48  -6.101  -6.263  -2.256
  360    HB3  LEU  48           HB2      LEU  48  -7.383  -7.450  -2.075
  361    HG   LEU  48           HG       LEU  48  -5.449  -9.163  -2.569
  362   HD11  LEU  48          HD11      LEU  48  -3.790  -7.184  -1.103
  363   HD12  LEU  48          HD12      LEU  48  -3.997  -6.917  -2.833
  364   HD13  LEU  48          HD13      LEU  48  -3.298  -8.429  -2.249
  365   HD21  LEU  48          HD21      LEU  48  -4.851  -8.760   0.037
  366   HD22  LEU  48          HD22      LEU  48  -6.371  -9.482  -0.487
  367   HD23  LEU  48          HD23      LEU  48  -6.303  -7.766  -0.085
  368    H    GLU  49           H        GLU  49  -8.970  -8.065  -3.887
  369    HA   GLU  49           HA       GLU  49  -8.674 -10.917  -4.040
  370    HB2  GLU  49           HB3      GLU  49 -10.659  -9.898  -3.042
  371    HB3  GLU  49           HB2      GLU  49 -11.088  -9.163  -4.576
  372    HG2  GLU  49           HG3      GLU  49 -11.325 -11.405  -5.578
  373    HG3  GLU  49           HG2      GLU  49 -10.923 -12.133  -4.030
  374    H    ASP  50           H        ASP  50  -9.273  -8.430  -6.491
  375    HA   ASP  50           HA       ASP  50  -9.930 -10.189  -8.627
  376    HB2  ASP  50           HB3      ASP  50 -10.186  -7.688  -8.630
  377    HB3  ASP  50           HB2      ASP  50  -8.442  -7.577  -8.865
  378    H    ARG  51           H        ARG  51  -6.750  -8.883  -7.649
  379    HA   ARG  51           HA       ARG  51  -5.436 -10.503  -9.716
  380    HB2  ARG  51           HB3      ARG  51  -4.368  -8.630  -7.598
  381    HB3  ARG  51           HB2      ARG  51  -3.355  -9.474  -8.766
  382    HG2  ARG  51           HG3      ARG  51  -4.703  -8.445 -10.608
  383    HG3  ARG  51           HG2      ARG  51  -5.570  -7.506  -9.392
  384    HD2  ARG  51           HD3      ARG  51  -3.350  -6.598  -8.623
  385    HD3  ARG  51           HD2      ARG  51  -2.606  -7.398 -10.007
  386    HE   ARG  51           HE       ARG  51  -4.828  -5.707 -10.802
  387   HH11  ARG  51          HH11      ARG  51  -4.286  -3.826 -11.932
  388   HH12  ARG  51          HH12      ARG  51  -2.652  -3.253 -11.901
  389   HH21  ARG  51          HH21      ARG  51  -1.509  -5.823  -9.874
  390   HH22  ARG  51          HH22      ARG  51  -1.079  -4.383 -10.736
  391    H    PHE  52           H        PHE  52  -5.267 -10.363  -6.125
  392    HA   PHE  52           HA       PHE  52  -3.648 -12.783  -6.062
  393    HB2  PHE  52           HB3      PHE  52  -4.975 -11.152  -3.889
  394    HB3  PHE  52           HB2      PHE  52  -3.960 -12.558  -3.577
  395    HD1  PHE  52           HD1      PHE  52  -4.025  -9.049  -4.545
  396    HD2  PHE  52           HD2      PHE  52  -1.561 -12.555  -4.285
  397    HE1  PHE  52           HE1      PHE  52  -1.998  -7.641  -4.779
  398    HE2  PHE  52           HE2      PHE  52   0.467 -11.148  -4.519
  399    HZ   PHE  52           HZ       PHE  52   0.249  -8.691  -4.765
  400    H    GLY  53           H        GLY  53  -7.074 -12.107  -5.906
  401    HA2  GLY  53           HA3      GLY  53  -8.831 -13.699  -6.022
  402    HA3  GLY  53           HA2      GLY  53  -7.619 -14.977  -5.970
  403    H    ILE  54           H        ILE  54  -7.775 -12.403  -3.574
  404    HA   ILE  54           HA       ILE  54  -8.340 -14.478  -1.512
  405    HB   ILE  54           HB       ILE  54  -7.371 -11.621  -1.181
  406   HG12  ILE  54          HG13      ILE  54  -5.776 -14.186  -0.958
  407   HG13  ILE  54          HG12      ILE  54  -5.824 -13.212  -2.429
  408   HG21  ILE  54          HG21      ILE  54  -8.332 -13.626   0.659
  409   HG22  ILE  54          HG22      ILE  54  -7.804 -11.978   1.000
  410   HG23  ILE  54          HG23      ILE  54  -6.630 -13.294   0.976
  411   HD11  ILE  54          HD11      ILE  54  -5.018 -12.132   0.283
  412   HD12  ILE  54          HD12      ILE  54  -4.907 -11.299  -1.268
  413   HD13  ILE  54          HD13      ILE  54  -3.870 -12.687  -0.935
  414    H    ALA  55           H        ALA  55 -10.238 -14.383  -0.319
  415    HA   ALA  55           HA       ALA  55 -12.446 -12.891  -1.315
  416    HB1  ALA  55           HB1      ALA  55 -12.362 -13.818   1.541
  417    HB2  ALA  55           HB2      ALA  55 -12.351 -15.010   0.241
  418    HB3  ALA  55           HB3      ALA  55 -13.696 -13.880   0.388
  419    H    ALA  56           H        ALA  56 -13.182 -10.873  -0.864
  420    HA   ALA  56           HA       ALA  56 -11.516  -8.985   0.506
  421    HB1  ALA  56           HB1      ALA  56 -14.316  -8.935  -0.594
  422    HB2  ALA  56           HB2      ALA  56 -12.901  -8.027  -1.125
  423    HB3  ALA  56           HB3      ALA  56 -13.725  -7.582   0.370
  424    H    ASP  57           H        ASP  57 -14.285 -10.919   1.479
  425    HA   ASP  57           HA       ASP  57 -14.975  -9.597   3.885
  426    HB2  ASP  57           HB3      ASP  57 -15.105 -12.522   3.149
  427    HB3  ASP  57           HB2      ASP  57 -15.846 -11.843   4.597
  428    H    ASP  58           H        ASP  58 -12.372 -11.894   3.210
  429    HA   ASP  58           HA       ASP  58 -11.709 -12.312   6.000
  430    HB2  ASP  58           HB3      ASP  58 -11.086 -13.893   4.170
  431    HB3  ASP  58           HB2      ASP  58  -9.950 -12.687   3.572
  432    H    VAL  59           H        VAL  59 -11.068 -10.602   7.215
  433    HA   VAL  59           HA       VAL  59  -8.862  -8.900   6.145
  434    HB   VAL  59           HB       VAL  59  -9.893  -6.920   7.161
  435   HG11  VAL  59          HG11      VAL  59 -11.634  -6.596   5.564
  436   HG12  VAL  59          HG12      VAL  59 -12.010  -8.318   5.515
  437   HG13  VAL  59          HG13      VAL  59 -10.508  -7.723   4.807
  438   HG21  VAL  59          HG21      VAL  59 -11.322  -7.278   8.875
  439   HG22  VAL  59          HG22      VAL  59 -11.539  -8.966   8.418
  440   HG23  VAL  59          HG23      VAL  59 -12.531  -7.716   7.670
  441    H    GLU  60           H        GLU  60  -7.526  -7.958   7.882
  442    HA   GLU  60           HA       GLU  60  -7.951  -8.694  10.648
  443    HB2  GLU  60           HB3      GLU  60  -7.242 -10.886   9.470
  444    HB3  GLU  60           HB2      GLU  60  -5.656 -10.144   9.325
  445    HG2  GLU  60           HG3      GLU  60  -5.632  -9.801  11.788
  446    HG3  GLU  60           HG2      GLU  60  -7.172 -10.639  11.891
  447    H    LEU  61           H        LEU  61  -7.063  -6.483   8.744
  448    HA   LEU  61           HA       LEU  61  -4.403  -5.871   9.931
  449    HB2  LEU  61           HB3      LEU  61  -5.854  -4.689   7.551
  450    HB3  LEU  61           HB2      LEU  61  -4.312  -4.097   8.159
  451    HG   LEU  61           HG       LEU  61  -3.370  -6.390   7.840
  452   HD11  LEU  61          HD11      LEU  61  -5.022  -7.975   7.767
  453   HD12  LEU  61          HD12      LEU  61  -4.942  -7.646   6.037
  454   HD13  LEU  61          HD13      LEU  61  -6.185  -6.879   7.022
  455   HD21  LEU  61          HD21      LEU  61  -2.924  -6.057   5.561
  456   HD22  LEU  61          HD22      LEU  61  -3.412  -4.447   6.088
  457   HD23  LEU  61          HD23      LEU  61  -4.556  -5.479   5.229
  458    H    SER  62           H        SER  62  -4.111  -3.987  11.143
  459    HA   SER  62           HA       SER  62  -6.617  -2.558  11.909
  460    HB2  SER  62           HB3      SER  62  -5.972  -2.935  14.033
  461    HB3  SER  62           HB2      SER  62  -4.517  -3.745  13.459
  462    HG   SER  62           HG       SER  62  -3.409  -1.999  13.864
  463    HA   PRO  63           HA       PRO  63  -5.187   1.292  10.355
  464    HB2  PRO  63           HB3      PRO  63  -5.401   2.931  12.615
  465    HB3  PRO  63           HB2      PRO  63  -6.708   2.561  11.477
  466    HG2  PRO  63           HG3      PRO  63  -6.139   1.409  14.144
  467    HG3  PRO  63           HG2      PRO  63  -7.690   1.694  13.338
  468    HD2  PRO  63           HD3      PRO  63  -6.603  -0.788  13.550
  469    HD3  PRO  63           HD2      PRO  63  -7.603  -0.304  12.162
  470    H    GLU  64           H        GLU  64  -3.754   0.252  13.405
  471    HA   GLU  64           HA       GLU  64  -1.545   2.071  13.426
  472    HB2  GLU  64           HB3      GLU  64  -1.802  -0.716  14.560
  473    HB3  GLU  64           HB2      GLU  64  -0.480   0.383  14.923
  474    HG2  GLU  64           HG3      GLU  64  -2.120   2.028  15.778
  475    HG3  GLU  64           HG2      GLU  64  -3.408   0.867  15.482
  476    H    HIS  65           H        HIS  65  -2.120  -0.979  11.792
  477    HA   HIS  65           HA       HIS  65   0.598  -1.479  10.994
  478    HB2  HIS  65           HB3      HIS  65  -1.200  -3.198  10.983
  479    HB3  HIS  65           HB2      HIS  65  -1.969  -2.353   9.640
  480    HD1  HIS  65           HD1      HIS  65   1.390  -3.960  10.477
  481    HD2  HIS  65           HD2      HIS  65  -0.993  -3.109   7.161
  482    HE1  HIS  65           HE1      HIS  65   2.534  -5.020   8.479
  483    HE2  HIS  65           HE2      HIS  65   1.096  -4.501   6.457
  484    H    PHE  66           H        PHE  66  -1.918   0.590   9.695
  485    HA   PHE  66           HA       PHE  66  -0.492   0.914   7.136
  486    HB2  PHE  66           HB3      PHE  66  -2.993   2.210   8.251
  487    HB3  PHE  66           HB2      PHE  66  -2.347   2.529   6.642
  488    HD1  PHE  66           HD1      PHE  66  -2.319   0.773   4.916
  489    HD2  PHE  66           HD2      PHE  66  -4.043   0.085   8.788
  490    HE1  PHE  66           HE1      PHE  66  -3.446  -1.260   4.053
  491    HE2  PHE  66           HE2      PHE  66  -5.171  -1.948   7.925
  492    HZ   PHE  66           HZ       PHE  66  -4.872  -2.621   5.558
  493    H    ARG  67           H        ARG  67   0.216   2.025  10.092
  494    HA   ARG  67           HA       ARG  67   0.382   4.847   9.862
  495    HB2  ARG  67           HB3      ARG  67   2.242   2.921  11.286
  496    HB3  ARG  67           HB2      ARG  67   2.234   4.666  11.525
  497    HG2  ARG  67           HG3      ARG  67  -0.298   3.093  11.837
  498    HG3  ARG  67           HG2      ARG  67   0.858   3.175  13.165
  499    HD2  ARG  67           HD3      ARG  67   0.778   5.695  12.951
  500    HD3  ARG  67           HD2      ARG  67  -0.552   5.493  11.810
  501    HE   ARG  67           HE       ARG  67  -1.961   4.864  13.618
  502   HH11  ARG  67          HH11      ARG  67  -2.374   4.708  15.834
  503   HH12  ARG  67          HH12      ARG  67  -1.051   4.739  16.952
  504   HH21  ARG  67          HH21      ARG  67   1.369   5.052  14.489
  505   HH22  ARG  67          HH22      ARG  67   1.067   4.934  16.191
  506    H    SER  68           H        SER  68   2.554   2.317   8.642
  507    HA   SER  68           HA       SER  68   3.929   4.445   7.055
  508    HB2  SER  68           HB3      SER  68   6.080   3.373   7.438
  509    HB3  SER  68           HB2      SER  68   5.344   3.743   8.994
  510    HG   SER  68           HG       SER  68   5.366   1.251   7.628
  511    H    ILE  69           H        ILE  69   4.663   3.754   4.984
  512    HA   ILE  69           HA       ILE  69   3.077   1.735   3.719
  513    HB   ILE  69           HB       ILE  69   5.631   3.069   2.776
  514   HG12  ILE  69          HG13      ILE  69   2.746   3.777   2.221
  515   HG13  ILE  69          HG12      ILE  69   3.758   4.612   3.391
  516   HG21  ILE  69          HG21      ILE  69   3.794   2.432   0.704
  517   HG22  ILE  69          HG22      ILE  69   4.039   0.980   1.673
  518   HG23  ILE  69          HG23      ILE  69   5.420   1.799   0.945
  519   HD11  ILE  69          HD11      ILE  69   4.730   5.834   1.771
  520   HD12  ILE  69          HD12      ILE  69   3.572   5.147   0.634
  521   HD13  ILE  69          HD13      ILE  69   5.142   4.378   0.865
  522    H    ARG  70           H        ARG  70   6.382   1.760   4.993
  523    HA   ARG  70           HA       ARG  70   7.255  -0.712   3.890
  524    HB2  ARG  70           HB3      ARG  70   7.989   0.610   6.518
  525    HB3  ARG  70           HB2      ARG  70   8.869  -0.737   5.793
  526    HG2  ARG  70           HG3      ARG  70   9.250   0.656   3.757
  527    HG3  ARG  70           HG2      ARG  70   8.470   2.011   4.575
  528    HD2  ARG  70           HD3      ARG  70  10.965   0.565   5.513
  529    HD3  ARG  70           HD2      ARG  70  10.904   2.183   4.815
  530    HE   ARG  70           HE       ARG  70   9.191   1.946   7.146
  531   HH11  ARG  70          HH11      ARG  70   9.872   3.056   8.993
  532   HH12  ARG  70          HH12      ARG  70  11.510   3.606   9.102
  533   HH21  ARG  70          HH21      ARG  70  12.414   2.358   5.995
  534   HH22  ARG  70          HH22      ARG  70  12.950   3.211   7.405
  535    H    SER  71           H        SER  71   5.396  -0.006   6.835
  536    HA   SER  71           HA       SER  71   5.479  -2.625   7.948
  537    HB2  SER  71           HB3      SER  71   3.519  -1.937   9.219
  538    HB3  SER  71           HB2      SER  71   4.641  -0.585   9.126
  539    HG   SER  71           HG       SER  71   2.555   0.106   8.618
  540    H    ILE  72           H        ILE  72   3.412  -1.176   5.468
  541    HA   ILE  72           HA       ILE  72   1.497  -3.267   5.277
  542    HB   ILE  72           HB       ILE  72   2.573  -1.444   3.103
  543   HG12  ILE  72          HG13      ILE  72   0.141  -1.137   4.894
  544   HG13  ILE  72          HG12      ILE  72   1.664  -0.280   5.131
  545   HG21  ILE  72          HG21      ILE  72   1.163  -2.522   1.733
  546   HG22  ILE  72          HG22      ILE  72  -0.179  -2.133   2.811
  547   HG23  ILE  72          HG23      ILE  72   0.734  -3.625   3.040
  548   HD11  ILE  72          HD11      ILE  72   1.360   0.461   2.649
  549   HD12  ILE  72          HD12      ILE  72   0.396   1.259   3.892
  550   HD13  ILE  72          HD13      ILE  72  -0.326   0.001   2.890
  551    H    ASP  73           H        ASP  73   4.681  -2.805   3.794
  552    HA   ASP  73           HA       ASP  73   4.615  -5.003   1.995
  553    HB2  ASP  73           HB3      ASP  73   6.391  -3.193   2.138
  554    HB3  ASP  73           HB2      ASP  73   7.054  -4.059   3.524
  555    H    ALA  74           H        ALA  74   5.402  -4.851   5.456
  556    HA   ALA  74           HA       ALA  74   6.379  -7.529   5.680
  557    HB1  ALA  74           HB1      ALA  74   6.358  -7.183   7.979
  558    HB2  ALA  74           HB2      ALA  74   4.864  -6.249   7.926
  559    HB3  ALA  74           HB3      ALA  74   6.378  -5.519   7.395
  560    H    PHE  75           H        PHE  75   3.103  -6.187   6.178
  561    HA   PHE  75           HA       PHE  75   1.917  -8.732   6.811
  562    HB2  PHE  75           HB3      PHE  75   0.824  -6.555   7.303
  563    HB3  PHE  75           HB2      PHE  75   0.587  -6.314   5.574
  564    HD1  PHE  75           HD1      PHE  75  -1.068  -7.582   4.338
  565    HD2  PHE  75           HD2      PHE  75  -0.364  -8.354   8.504
  566    HE1  PHE  75           HE1      PHE  75  -3.137  -8.946   4.435
  567    HE2  PHE  75           HE2      PHE  75  -2.433  -9.719   8.600
  568    HZ   PHE  75           HZ       PHE  75  -3.819 -10.015   6.566
  569    H    VAL  76           H        VAL  76   2.206  -6.893   3.783
  570    HA   VAL  76           HA       VAL  76   0.798  -8.744   2.140
  571    HB   VAL  76           HB       VAL  76   2.999  -6.757   1.527
  572   HG11  VAL  76          HG11      VAL  76   3.083  -8.393  -0.216
  573   HG12  VAL  76          HG12      VAL  76   2.149  -7.040  -0.850
  574   HG13  VAL  76          HG13      VAL  76   1.325  -8.495  -0.292
  575   HG21  VAL  76          HG21      VAL  76   0.269  -6.387   0.484
  576   HG22  VAL  76          HG22      VAL  76   1.329  -5.231   1.291
  577   HG23  VAL  76          HG23      VAL  76   0.368  -6.362   2.244
  578    H    VAL  77           H        VAL  77   4.250  -8.501   3.011
  579    HA   VAL  77           HA       VAL  77   5.176 -10.592   1.318
  580    HB   VAL  77           HB       VAL  77   6.179  -9.544   3.973
  581   HG11  VAL  77          HG11      VAL  77   7.350 -11.490   4.013
  582   HG12  VAL  77          HG12      VAL  77   8.329 -10.712   2.770
  583   HG13  VAL  77          HG13      VAL  77   7.039 -11.824   2.311
  584   HG21  VAL  77          HG21      VAL  77   7.620  -9.201   1.389
  585   HG22  VAL  77          HG22      VAL  77   7.455  -8.079   2.739
  586   HG23  VAL  77          HG23      VAL  77   6.130  -8.279   1.592
  587    H    GLY  78           H        GLY  78   3.928 -10.635   4.648
  588    HA2  GLY  78           HA3      GLY  78   4.425 -13.370   5.210
  589    HA3  GLY  78           HA2      GLY  78   3.131 -12.421   5.941
  590    H    ALA  79           H        ALA  79   1.749 -11.834   3.455
  591    HA   ALA  79           HA       ALA  79   0.412 -14.444   3.135
  592    HB1  ALA  79           HB1      ALA  79  -1.298 -13.118   1.894
  593    HB2  ALA  79           HB2      ALA  79  -0.304 -11.680   2.124
  594    HB3  ALA  79           HB3      ALA  79  -1.007 -12.498   3.519
  595    H    THR  80           H        THR  80   1.815 -11.939   1.011
  596    HA   THR  80           HA       THR  80   2.571 -14.091  -0.882
  597    HB   THR  80           HB       THR  80   0.309 -13.150  -1.545
  598    HG1  THR  80           HG1      THR  80   2.433 -12.629  -3.344
  599   HG21  THR  80          HG21      THR  80   1.349 -10.746  -0.879
  600   HG22  THR  80          HG22      THR  80   0.011 -10.934  -2.014
  601   HG23  THR  80          HG23      THR  80   1.657 -10.734  -2.615
  602    H    THR  81           H        THR  81   4.301 -13.442  -2.315
  603    HA   THR  81           HA       THR  81   5.564 -10.826  -1.651
  604    HB   THR  81           HB       THR  81   6.815 -12.343  -0.327
  605    HG1  THR  81           HG1      THR  81   8.760 -12.651  -1.796
  606   HG21  THR  81          HG21      THR  81   6.194 -14.189  -2.551
  607   HG22  THR  81          HG22      THR  81   6.352 -14.515  -0.824
  608   HG23  THR  81          HG23      THR  81   7.793 -14.392  -1.834
  609    HA   PRO  82           HA       PRO  82   5.243 -11.368  -6.232
  610    HB2  PRO  82           HB3      PRO  82   5.260  -8.427  -6.200
  611    HB3  PRO  82           HB2      PRO  82   4.063  -9.533  -6.892
  612    HG2  PRO  82           HG3      PRO  82   3.598  -8.051  -4.687
  613    HG3  PRO  82           HG2      PRO  82   2.849  -9.630  -4.970
  614    HD2  PRO  82           HD3      PRO  82   5.112  -8.919  -3.146
  615    HD3  PRO  82           HD2      PRO  82   3.830 -10.134  -2.939
  616    HA   PRO  83           HA       PRO  83   9.335 -10.379  -7.610
  617    HB2  PRO  83           HB3      PRO  83   8.501  -8.237  -9.474
  618    HB3  PRO  83           HB2      PRO  83   9.298  -9.783  -9.819
  619    HG2  PRO  83           HG3      PRO  83   6.728  -9.317 -10.434
  620    HG3  PRO  83           HG2      PRO  83   7.326 -10.919  -9.976
  621    HD2  PRO  83           HD3      PRO  83   5.720  -8.977  -8.367
  622    HD3  PRO  83           HD2      PRO  83   5.693 -10.754  -8.355
  623    H    VAL  84           H        VAL  84  11.088  -8.907  -7.240
  624    HA   VAL  84           HA       VAL  84  10.303  -6.505  -5.670
  625    HB   VAL  84           HB       VAL  84  13.009  -7.850  -5.913
  626   HG11  VAL  84          HG11      VAL  84  13.529  -5.743  -5.121
  627   HG12  VAL  84          HG12      VAL  84  13.111  -6.525  -3.597
  628   HG13  VAL  84          HG13      VAL  84  11.931  -5.501  -4.414
  629   HG21  VAL  84          HG21      VAL  84  12.389  -8.564  -3.514
  630   HG22  VAL  84          HG22      VAL  84  11.589  -9.420  -4.832
  631   HG23  VAL  84          HG23      VAL  84  10.730  -8.156  -3.952
  632    H    GLU  85           H        GLU  85  10.688  -4.487  -6.445
  633    HA   GLU  85           HA       GLU  85  12.448  -4.216  -8.842
  634    HB2  GLU  85           HB3      GLU  85   9.861  -2.737  -8.270
  635    HB3  GLU  85           HB2      GLU  85  10.912  -2.462  -9.660
  636    HG2  GLU  85           HG3      GLU  85  10.586  -4.833 -10.343
  637    HG3  GLU  85           HG2      GLU  85   9.469  -5.045  -8.994
  638    H    ALA  86           H        ALA  86  13.473  -2.081  -9.028
  639    HA   ALA  86           HA       ALA  86  13.923  -0.869  -6.341
  640    HB1  ALA  86           HB1      ALA  86  15.709  -1.704  -8.317
  641    HB2  ALA  86           HB2      ALA  86  16.097  -0.690  -6.927
  642    HB3  ALA  86           HB3      ALA  86  15.686   0.052  -8.473
  643    H    LYS  87           H        LYS  87  13.819   1.428  -6.105
  644    HA   LYS  87           HA       LYS  87  11.876   2.711  -7.871
  645    HB2  LYS  87           HB3      LYS  87  13.467   3.773  -5.515
  646    HB3  LYS  87           HB2      LYS  87  12.197   4.668  -6.348
  647    HG2  LYS  87           HG3      LYS  87  10.602   2.816  -5.814
  648    HG3  LYS  87           HG2      LYS  87  11.877   2.038  -4.874
  649    HD2  LYS  87           HD3      LYS  87  12.049   4.100  -3.474
  650    HD3  LYS  87           HD2      LYS  87  10.685   4.780  -4.362
  651    HE2  LYS  87           HE3      LYS  87  10.086   3.653  -2.163
  652    HE3  LYS  87           HE2      LYS  87   9.205   3.063  -3.572
  653    HZ1  LYS  87           HZ1      LYS  87  10.393   1.437  -1.894
  654    HZ2  LYS  87           HZ2      LYS  87  11.726   1.748  -2.901
  655    HZ3  LYS  87           HZ3      LYS  87  10.301   1.093  -3.553
  656    H    LEU  88           H        LEU  88  12.290   4.480  -9.260
  657    HA   LEU  88           HA       LEU  88  14.767   4.492 -10.651
  658    HB2  LEU  88           HB3      LEU  88  12.738   6.742 -10.466
  659    HB3  LEU  88           HB2      LEU  88  13.952   6.537 -11.730
  660    HG   LEU  88           HG       LEU  88  11.663   4.642 -11.121
  661   HD11  LEU  88          HD11      LEU  88  10.602   5.487 -13.001
  662   HD12  LEU  88          HD12      LEU  88  12.113   6.007 -13.748
  663   HD13  LEU  88          HD13      LEU  88  11.413   6.945 -12.428
  664   HD21  LEU  88          HD21      LEU  88  14.106   4.445 -12.847
  665   HD22  LEU  88          HD22      LEU  88  12.603   3.731 -13.434
  666   HD23  LEU  88          HD23      LEU  88  13.299   3.191 -11.906
  667    H    GLN  89           H        GLN  89  13.627   6.420  -7.915
  668    HA   GLN  89           HA       GLN  89  16.395   7.152  -7.288
  669    HB2  GLN  89           HB3      GLN  89  15.688   8.889  -8.949
  670    HB3  GLN  89           HB2      GLN  89  14.373   9.339  -7.863
  671    HG2  GLN  89           HG3      GLN  89  15.996   9.885  -6.098
  672    HG3  GLN  89           HG2      GLN  89  17.322   9.409  -7.159
  673   HE21  GLN  89          HE21      GLN  89  17.442  12.007  -6.281
  674   HE22  GLN  89          HE22      GLN  89  16.995  13.088  -7.511
  675    H3   7V9 101          1H1       NIA 101 -10.396   2.730   7.509
  676    H4   7V9 101          2H1       NIA 101 -11.207   1.183   7.265
  677    H5   7V9 101          1HE1      NIA 101  -9.501   3.238   9.962
  678    H6   7V9 101          2HE1      NIA 101  -9.776   1.994  11.182
  679    H7   7V9 101          3HE1      NIA 101 -11.144   2.853  10.475
  680    H8   7V9 101          2HE2      NIA 101  -8.895   0.013   8.251
  681    H9   7V9 101          3HE2      NIA 101  -8.221   0.878   9.632
  682    H10  7V9 101          1HE2      NIA 101  -8.435   1.708   8.090
  683    H11  7V9 101          3H        NIA 101 -11.281  -0.473   8.879
  684    H12  7V9 101          3HO       NIA 101 -12.446  -0.083  11.000
  685    H13  7V9 101          5H        NIA 101  -8.257  -1.169  10.344
  686    H14  7V9 101          1H6       NIA 101  -9.265  -3.474  10.005
  687    H15  7V9 101          2H6       NIA 101 -10.651  -2.635   9.310
  688    H16  7V9 101          1H7       NIA 101  -7.909  -2.191   8.160
  689    H17  7V9 101          2H7       NIA 101  -9.481  -2.032   7.376
  690    H18  7V9 101          9H        NIA 101  -9.712  -4.643   5.910
  691    H19  7V9 101          1H10      NIA 101  -8.138  -3.046   4.719
  692    H20  7V9 101          2H10      NIA 101  -6.955  -3.479   5.952
  693    H21  7V9 101          1H11      NIA 101  -8.208  -5.471   4.039
  694    H22  7V9 101          2H11      NIA 101  -6.881  -5.770   5.160
  695    H25  7V9 101          5H1       NIA 101  -3.309  -5.749   3.327
  696    H26  7V9 101          7H1       NIA 101  -1.926  -4.065  -0.255
  697    H27  7V9 101          8H1       NIA 101  -4.065  -4.616  -1.383
  698    H28  7V9 101          9H1       NIA 101  -5.981  -5.416  -0.001
  Start of MODEL   12
    1    H1   MET   1           H1       MET   1  12.682  -5.324   3.739
    2    H2   MET   1           H2       MET   1  11.417  -5.331   4.875
    3    H3   MET   1           H3       MET   1  12.549  -4.063   4.866
    4    HA   MET   1           HA       MET   1  10.140  -3.962   3.689
    5    HB2  MET   1           HB3      MET   1  12.738  -2.538   3.113
    6    HB3  MET   1           HB2      MET   1  11.226  -2.066   2.336
    7    HG2  MET   1           HG3      MET   1  10.184  -1.801   4.571
    8    HG3  MET   1           HG2      MET   1  11.731  -2.197   5.319
    9    HE1  MET   1           HE1      MET   1  14.099   0.509   4.516
   10    HE2  MET   1           HE2      MET   1  13.801  -0.483   3.090
   11    HE3  MET   1           HE3      MET   1  13.813  -1.228   4.687
   12    H    GLN   2           H        GLN   2   9.649  -5.798   2.406
   13    HA   GLN   2           HA       GLN   2  11.210  -6.101  -0.113
   14    HB2  GLN   2           HB3      GLN   2   9.069  -7.864   1.124
   15    HB3  GLN   2           HB2      GLN   2   9.931  -8.216  -0.374
   16    HG2  GLN   2           HG3      GLN   2  12.070  -8.230   0.844
   17    HG3  GLN   2           HG2      GLN   2  11.221  -7.860   2.346
   18   HE21  GLN   2          HE21      GLN   2  12.745 -10.258   2.108
   19   HE22  GLN   2          HE22      GLN   2  11.682 -11.581   2.114
   20    H    HIS   3           H        HIS   3  10.368  -5.263  -1.971
   21    HA   HIS   3           HA       HIS   3   8.815  -4.312  -3.459
   22    HB2  HIS   3           HB3      HIS   3   6.589  -5.541  -1.852
   23    HB3  HIS   3           HB2      HIS   3   6.712  -5.336  -3.599
   24    HD1  HIS   3           HD1      HIS   3   7.374  -7.737  -0.899
   25    HD2  HIS   3           HD2      HIS   3   8.670  -7.178  -4.823
   26    HE1  HIS   3           HE1      HIS   3   8.471  -9.909  -1.609
   27    HE2  HIS   3           HE2      HIS   3   9.267  -9.577  -3.995
   28    H    ALA   4           H        ALA   4   9.458  -3.172  -0.658
   29    HA   ALA   4           HA       ALA   4   7.157  -1.770   0.296
   30    HB1  ALA   4           HB1      ALA   4   8.940  -0.167   1.234
   31    HB2  ALA   4           HB2      ALA   4  10.124  -1.253   0.507
   32    HB3  ALA   4           HB3      ALA   4   9.027  -1.851   1.752
   33    H    SER   5           H        SER   5   9.592  -0.939  -2.151
   34    HA   SER   5           HA       SER   5   8.805   1.764  -2.558
   35    HB2  SER   5           HB3      SER   5   9.871  -0.168  -4.635
   36    HB3  SER   5           HB2      SER   5   9.931   1.590  -4.714
   37    HG   SER   5           HG       SER   5  11.141   1.440  -2.687
   38    H    VAL   6           H        VAL   6   7.567  -1.250  -3.967
   39    HA   VAL   6           HA       VAL   6   5.817  -0.002  -5.865
   40    HB   VAL   6           HB       VAL   6   5.662  -2.686  -4.483
   41   HG11  VAL   6          HG11      VAL   6   3.474  -2.489  -5.200
   42   HG12  VAL   6          HG12      VAL   6   4.212  -3.058  -6.697
   43   HG13  VAL   6          HG13      VAL   6   3.887  -1.339  -6.472
   44   HG21  VAL   6          HG21      VAL   6   7.621  -2.261  -5.983
   45   HG22  VAL   6          HG22      VAL   6   6.494  -1.919  -7.297
   46   HG23  VAL   6          HG23      VAL   6   6.558  -3.532  -6.587
   47    H    ILE   7           H        ILE   7   5.399  -0.927  -2.473
   48    HA   ILE   7           HA       ILE   7   2.602  -0.471  -2.287
   49    HB   ILE   7           HB       ILE   7   4.730   0.015  -0.184
   50   HG12  ILE   7          HG13      ILE   7   3.049  -2.456  -0.717
   51   HG13  ILE   7          HG12      ILE   7   4.721  -2.273  -1.247
   52   HG21  ILE   7          HG21      ILE   7   2.765  -0.571   1.341
   53   HG22  ILE   7          HG22      ILE   7   1.728  -0.355  -0.068
   54   HG23  ILE   7          HG23      ILE   7   2.672   1.000   0.546
   55   HD11  ILE   7          HD11      ILE   7   5.040  -1.626   1.343
   56   HD12  ILE   7          HD12      ILE   7   5.124  -3.291   0.771
   57   HD13  ILE   7          HD13      ILE   7   3.635  -2.681   1.495
   58    H    ALA   8           H        ALA   8   5.307   1.771  -1.614
   59    HA   ALA   8           HA       ALA   8   3.633   4.044  -1.108
   60    HB1  ALA   8           HB1      ALA   8   6.394   4.249  -2.301
   61    HB2  ALA   8           HB2      ALA   8   6.167   3.727  -0.631
   62    HB3  ALA   8           HB3      ALA   8   5.615   5.323  -1.139
   63    H    GLN   9           H        GLN   9   5.310   2.934  -4.035
   64    HA   GLN   9           HA       GLN   9   4.408   5.052  -5.735
   65    HB2  GLN   9           HB3      GLN   9   6.276   3.508  -6.296
   66    HB3  GLN   9           HB2      GLN   9   5.114   2.193  -6.465
   67    HG2  GLN   9           HG3      GLN   9   4.078   4.264  -8.041
   68    HG3  GLN   9           HG2      GLN   9   5.811   4.274  -8.367
   69   HE21  GLN   9          HE21      GLN   9   3.153   1.855  -7.982
   70   HE22  GLN   9          HE22      GLN   9   3.699   0.843  -9.232
   71    H    PHE  10           H        PHE  10   3.062   1.877  -4.953
   72    HA   PHE  10           HA       PHE  10   0.908   1.943  -6.830
   73    HB2  PHE  10           HB3      PHE  10   1.714  -0.099  -5.644
   74    HB3  PHE  10           HB2      PHE  10   1.014   0.529  -4.153
   75    HD1  PHE  10           HD1      PHE  10  -1.356   0.475  -3.761
   76    HD2  PHE  10           HD2      PHE  10   0.255  -0.691  -7.567
   77    HE1  PHE  10           HE1      PHE  10  -3.559  -0.468  -4.404
   78    HE2  PHE  10           HE2      PHE  10  -1.948  -1.632  -8.212
   79    HZ   PHE  10           HZ       PHE  10  -3.853  -1.522  -6.629
   80    H    VAL  11           H        VAL  11   0.946   2.715  -3.338
   81    HA   VAL  11           HA       VAL  11  -1.793   3.653  -3.371
   82    HB   VAL  11           HB       VAL  11  -1.332   4.401  -1.090
   83   HG11  VAL  11          HG11      VAL  11  -1.155   2.278  -0.217
   84   HG12  VAL  11          HG12      VAL  11   0.226   1.866  -1.232
   85   HG13  VAL  11          HG13      VAL  11  -1.402   1.851  -1.911
   86   HG21  VAL  11          HG21      VAL  11   1.475   4.162  -2.056
   87   HG22  VAL  11          HG22      VAL  11   1.164   3.739  -0.374
   88   HG23  VAL  11          HG23      VAL  11   0.764   5.351  -0.967
   89    H    VAL  12           H        VAL  12   1.378   5.255  -3.519
   90    HA   VAL  12           HA       VAL  12   0.372   7.928  -3.331
   91    HB   VAL  12           HB       VAL  12   2.869   6.878  -4.669
   92   HG11  VAL  12          HG11      VAL  12   2.047   9.685  -3.881
   93   HG12  VAL  12          HG12      VAL  12   2.331   9.094  -5.517
   94   HG13  VAL  12          HG13      VAL  12   3.674   9.226  -4.384
   95   HG21  VAL  12          HG21      VAL  12   2.285   6.679  -2.059
   96   HG22  VAL  12          HG22      VAL  12   2.855   8.347  -2.073
   97   HG23  VAL  12          HG23      VAL  12   3.916   7.049  -2.619
   98    H    GLU  13           H        GLU  13   0.919   5.781  -6.093
   99    HA   GLU  13           HA       GLU  13   0.528   7.595  -8.199
  100    HB2  GLU  13           HB3      GLU  13   1.137   5.189  -8.468
  101    HB3  GLU  13           HB2      GLU  13  -0.529   4.770  -8.089
  102    HG2  GLU  13           HG3      GLU  13  -1.289   6.162 -10.005
  103    HG3  GLU  13           HG2      GLU  13   0.399   6.460 -10.413
  104    H    GLU  14           H        GLU  14  -1.869   6.037  -6.128
  105    HA   GLU  14           HA       GLU  14  -4.171   6.865  -7.631
  106    HB2  GLU  14           HB3      GLU  14  -3.850   6.210  -4.690
  107    HB3  GLU  14           HB2      GLU  14  -5.404   6.438  -5.493
  108    HG2  GLU  14           HG3      GLU  14  -4.837   4.601  -7.066
  109    HG3  GLU  14           HG2      GLU  14  -3.323   4.348  -6.198
  110    H    PHE  15           H        PHE  15  -2.204   8.460  -5.175
  111    HA   PHE  15           HA       PHE  15  -3.809  10.938  -5.647
  112    HB2  PHE  15           HB3      PHE  15  -2.612  10.618  -2.957
  113    HB3  PHE  15           HB2      PHE  15  -4.167  11.306  -3.423
  114    HD1  PHE  15           HD1      PHE  15  -6.111   9.832  -3.886
  115    HD2  PHE  15           HD2      PHE  15  -2.377   8.276  -2.442
  116    HE1  PHE  15           HE1      PHE  15  -7.233   7.707  -3.272
  117    HE2  PHE  15           HE2      PHE  15  -3.497   6.151  -1.830
  118    HZ   PHE  15           HZ       PHE  15  -5.927   5.867  -2.244
  119    H    LEU  16           H        LEU  16  -1.326  10.231  -6.932
  120    HA   LEU  16           HA       LEU  16   0.805  11.584  -5.487
  121    HB2  LEU  16           HB3      LEU  16   2.221  10.749  -7.064
  122    HB3  LEU  16           HB2      LEU  16   0.877   9.670  -7.360
  123    HG   LEU  16           HG       LEU  16   1.448  12.219  -8.911
  124   HD11  LEU  16          HD11      LEU  16   2.213   9.381  -9.234
  125   HD12  LEU  16          HD12      LEU  16   2.998  10.840  -9.839
  126   HD13  LEU  16          HD13      LEU  16   1.599  10.177 -10.684
  127   HD21  LEU  16          HD21      LEU  16  -0.562  11.946  -9.950
  128   HD22  LEU  16          HD22      LEU  16  -0.993  10.946  -8.566
  129   HD23  LEU  16          HD23      LEU  16  -0.371  10.195 -10.032
  130    HA   PRO  17           HA       PRO  17  -0.386  15.592  -7.129
  131    HB2  PRO  17           HB3      PRO  17   1.605  17.074  -6.029
  132    HB3  PRO  17           HB2      PRO  17   0.286  16.412  -5.051
  133    HG2  PRO  17           HG3      PRO  17   3.071  15.419  -5.386
  134    HG3  PRO  17           HG2      PRO  17   2.073  15.511  -3.926
  135    HD2  PRO  17           HD3      PRO  17   2.442  13.199  -5.386
  136    HD3  PRO  17           HD2      PRO  17   1.025  13.519  -4.360
  137    H    ASP  18           H        ASP  18   1.857  17.466  -7.703
  138    HA   ASP  18           HA       ASP  18   2.542  16.456 -10.346
  139    HB2  ASP  18           HB3      ASP  18   3.644  18.621 -10.632
  140    HB3  ASP  18           HB2      ASP  18   2.055  18.861  -9.914
  141    H    VAL  19           H        VAL  19   3.627  15.409  -7.575
  142    HA   VAL  19           HA       VAL  19   6.522  15.447  -8.337
  143    HB   VAL  19           HB       VAL  19   5.281  14.864  -5.631
  144   HG11  VAL  19          HG11      VAL  19   7.344  13.836  -5.508
  145   HG12  VAL  19          HG12      VAL  19   7.825  15.482  -5.098
  146   HG13  VAL  19          HG13      VAL  19   8.055  14.878  -6.739
  147   HG21  VAL  19          HG21      VAL  19   4.938  17.146  -5.787
  148   HG22  VAL  19          HG22      VAL  19   6.244  17.368  -6.951
  149   HG23  VAL  19          HG23      VAL  19   6.615  17.149  -5.241
  150    H    ALA  20           H        ALA  20   7.503  13.483  -8.750
  151    HA   ALA  20           HA       ALA  20   5.827  11.159  -9.111
  152    HB1  ALA  20           HB1      ALA  20   7.515  10.807 -10.567
  153    HB2  ALA  20           HB2      ALA  20   8.469  10.274  -9.183
  154    HB3  ALA  20           HB3      ALA  20   8.563  11.949  -9.724
  155    HA   PRO  21           HA       PRO  21   5.944   9.422  -4.986
  156    HB2  PRO  21           HB3      PRO  21   6.513   6.817  -6.300
  157    HB3  PRO  21           HB2      PRO  21   5.220   7.252  -5.169
  158    HG2  PRO  21           HG3      PRO  21   4.826   6.903  -7.820
  159    HG3  PRO  21           HG2      PRO  21   3.845   7.980  -6.816
  160    HD2  PRO  21           HD3      PRO  21   5.834   8.670  -8.883
  161    HD3  PRO  21           HD2      PRO  21   4.521   9.649  -8.195
  162    H    ALA  22           H        ALA  22   8.459   8.620  -7.327
  163    HA   ALA  22           HA       ALA  22  10.334   7.469  -5.491
  164    HB1  ALA  22           HB1      ALA  22  11.964   8.513  -7.360
  165    HB2  ALA  22           HB2      ALA  22  10.438   8.614  -8.238
  166    HB3  ALA  22           HB3      ALA  22  11.014   7.055  -7.648
  167    H    ASP  23           H        ASP  23   9.373  10.736  -6.117
  168    HA   ASP  23           HA       ASP  23  11.745  11.819  -4.703
  169    HB2  ASP  23           HB3      ASP  23   9.435  13.163  -6.133
  170    HB3  ASP  23           HB2      ASP  23  10.717  14.040  -5.296
  171    H    VAL  24           H        VAL  24   9.027  10.384  -3.763
  172    HA   VAL  24           HA       VAL  24   8.364  12.356  -1.629
  173    HB   VAL  24           HB       VAL  24   6.937   9.790  -2.399
  174   HG11  VAL  24          HG11      VAL  24   5.918  10.108  -0.409
  175   HG12  VAL  24          HG12      VAL  24   5.199  11.558  -1.109
  176   HG13  VAL  24          HG13      VAL  24   6.698  11.673  -0.187
  177   HG21  VAL  24          HG21      VAL  24   6.202  12.671  -3.009
  178   HG22  VAL  24          HG22      VAL  24   5.313  11.232  -3.507
  179   HG23  VAL  24          HG23      VAL  24   6.911  11.557  -4.177
  180    H    ASP  25           H        ASP  25   8.867  11.889   0.496
  181    HA   ASP  25           HA       ASP  25  10.794   9.810   1.016
  182    HB2  ASP  25           HB3      ASP  25   9.176  11.562   2.890
  183    HB3  ASP  25           HB2      ASP  25  10.477  10.492   3.414
  184    H    VAL  26           H        VAL  26   9.763   7.829   0.419
  185    HA   VAL  26           HA       VAL  26   7.214   6.967   1.362
  186    HB   VAL  26           HB       VAL  26   7.964   4.708   0.816
  187   HG11  VAL  26          HG11      VAL  26   7.584   6.516  -0.994
  188   HG12  VAL  26          HG12      VAL  26   8.436   5.049  -1.476
  189   HG13  VAL  26          HG13      VAL  26   9.340   6.530  -1.157
  190   HG21  VAL  26          HG21      VAL  26  10.429   4.496   0.079
  191   HG22  VAL  26          HG22      VAL  26  10.116   4.570   1.813
  192   HG23  VAL  26          HG23      VAL  26  10.692   6.001   0.958
  193    H    ASP  27           H        ASP  27   9.810   7.833   3.185
  194    HA   ASP  27           HA       ASP  27   9.467   5.745   5.259
  195    HB2  ASP  27           HB3      ASP  27  11.284   8.170   5.090
  196    HB3  ASP  27           HB2      ASP  27  11.258   7.044   6.447
  197    H    LEU  28           H        LEU  28   7.674   8.226   4.336
  198    HA   LEU  28           HA       LEU  28   7.269   9.516   6.965
  199    HB2  LEU  28           HB3      LEU  28   7.202  10.843   4.845
  200    HB3  LEU  28           HB2      LEU  28   5.783   9.924   4.354
  201    HG   LEU  28           HG       LEU  28   5.068  10.733   6.879
  202   HD11  LEU  28          HD11      LEU  28   6.614  12.996   5.583
  203   HD12  LEU  28          HD12      LEU  28   7.095  12.140   7.049
  204   HD13  LEU  28          HD13      LEU  28   5.628  13.120   7.040
  205   HD21  LEU  28          HD21      LEU  28   3.607  10.868   4.960
  206   HD22  LEU  28          HD22      LEU  28   4.640  12.074   4.195
  207   HD23  LEU  28          HD23      LEU  28   3.727  12.489   5.645
  208    H    ASP  29           H        ASP  29   5.499   9.115   8.274
  209    HA   ASP  29           HA       ASP  29   4.106   6.642   7.996
  210    HB2  ASP  29           HB3      ASP  29   3.421   9.128   9.599
  211    HB3  ASP  29           HB2      ASP  29   2.580   7.586   9.765
  212    H    LEU  30           H        LEU  30   2.516   6.177   6.556
  213    HA   LEU  30           HA       LEU  30   1.386   8.212   4.863
  214    HB2  LEU  30           HB3      LEU  30  -0.017   6.380   3.973
  215    HB3  LEU  30           HB2      LEU  30   1.674   5.891   4.095
  216    HG   LEU  30           HG       LEU  30   0.336   5.340   6.586
  217   HD11  LEU  30          HD11      LEU  30  -1.164   3.521   5.630
  218   HD12  LEU  30          HD12      LEU  30  -0.977   4.306   4.063
  219   HD13  LEU  30          HD13      LEU  30  -1.740   5.171   5.398
  220   HD21  LEU  30          HD21      LEU  30   1.176   3.080   6.126
  221   HD22  LEU  30          HD22      LEU  30   2.406   4.275   5.717
  222   HD23  LEU  30          HD23      LEU  30   1.459   3.514   4.440
  223    H    VAL  31           H        VAL  31   0.808   7.824   8.017
  224    HA   VAL  31           HA       VAL  31  -1.976   7.555   8.353
  225    HB   VAL  31           HB       VAL  31  -0.159   7.856  10.155
  226   HG11  VAL  31          HG11      VAL  31   0.587  10.066   9.099
  227   HG12  VAL  31          HG12      VAL  31   0.373  10.076  10.849
  228   HG13  VAL  31          HG13      VAL  31  -0.864  10.776   9.805
  229   HG21  VAL  31          HG21      VAL  31  -1.937   9.361  11.512
  230   HG22  VAL  31          HG22      VAL  31  -2.233   7.665  11.133
  231   HG23  VAL  31          HG23      VAL  31  -2.940   8.929  10.127
  232    H    ASP  32           H        ASP  32  -0.088  10.387   7.369
  233    HA   ASP  32           HA       ASP  32  -2.199  12.297   7.409
  234    HB2  ASP  32           HB3      ASP  32   0.187  12.047   5.546
  235    HB3  ASP  32           HB2      ASP  32  -0.869  13.458   5.614
  236    H    ASN  33           H        ASN  33  -1.257   9.840   5.078
  237    HA   ASN  33           HA       ASN  33  -3.380  10.612   3.195
  238    HB2  ASN  33           HB3      ASN  33  -1.504   8.243   3.166
  239    HB3  ASN  33           HB2      ASN  33  -2.539   8.755   1.838
  240   HD21  ASN  33          HD21      ASN  33   0.577   8.756   2.465
  241   HD22  ASN  33          HD22      ASN  33   1.052  10.281   1.892
  242    H    GLY  34           H        GLY  34  -3.767   9.514   6.047
  243    HA2  GLY  34           HA3      GLY  34  -4.757   6.947   6.198
  244    HA3  GLY  34           HA2      GLY  34  -5.542   8.297   7.017
  245    H    VAL  35           H        VAL  35  -5.856   9.406   4.098
  246    HA   VAL  35           HA       VAL  35  -8.595   8.798   3.762
  247    HB   VAL  35           HB       VAL  35  -6.494   9.586   1.721
  248   HG11  VAL  35          HG11      VAL  35  -8.747  10.369   0.543
  249   HG12  VAL  35          HG12      VAL  35  -9.420   9.017   1.454
  250   HG13  VAL  35          HG13      VAL  35  -8.114   8.742   0.299
  251   HG21  VAL  35          HG21      VAL  35  -7.220  11.794   2.083
  252   HG22  VAL  35          HG22      VAL  35  -7.243  11.105   3.707
  253   HG23  VAL  35          HG23      VAL  35  -8.745  11.275   2.798
  254    H    ILE  36           H        ILE  36  -5.720   7.138   2.567
  255    HA   ILE  36           HA       ILE  36  -7.113   5.273   0.866
  256    HB   ILE  36           HB       ILE  36  -4.577   5.902   0.961
  257   HG12  ILE  36          HG13      ILE  36  -5.728   3.140   0.533
  258   HG13  ILE  36          HG12      ILE  36  -5.270   4.337  -0.680
  259   HG21  ILE  36          HG21      ILE  36  -4.514   3.489   2.772
  260   HG22  ILE  36          HG22      ILE  36  -4.555   5.124   3.434
  261   HG23  ILE  36          HG23      ILE  36  -3.213   4.623   2.406
  262   HD11  ILE  36          HD11      ILE  36  -2.885   4.030   0.523
  263   HD12  ILE  36          HD12      ILE  36  -3.402   3.009  -0.818
  264   HD13  ILE  36          HD13      ILE  36  -3.561   2.432   0.841
  265    H    ASP  37           H        ASP  37  -6.542   5.423   4.289
  266    HA   ASP  37           HA       ASP  37  -6.602   2.707   5.007
  267    HB2  ASP  37           HB3      ASP  37  -7.801   5.078   6.459
  268    HB3  ASP  37           HB2      ASP  37  -7.565   3.485   7.173
  269    H    SER  38           H        SER  38  -9.305   4.800   4.078
  270    HA   SER  38           HA       SER  38 -11.113   2.447   4.459
  271    HB2  SER  38          2HB       SER  38 -11.758   5.400   4.495
  272    HB3  SER  38          1HB       SER  38 -12.951   4.110   4.623
  273    H    LEU  39           H        LEU  39 -11.100   5.414   2.446
  274    HA   LEU  39           HA       LEU  39 -12.689   4.254   0.391
  275    HB2  LEU  39           HB3      LEU  39 -10.822   6.605   0.468
  276    HB3  LEU  39           HB2      LEU  39 -11.612   6.134  -1.033
  277    HG   LEU  39           HG       LEU  39 -12.844   7.888   0.334
  278   HD11  LEU  39          HD11      LEU  39 -14.857   5.834   0.348
  279   HD12  LEU  39          HD12      LEU  39 -13.816   5.607  -1.057
  280   HD13  LEU  39          HD13      LEU  39 -14.635   7.148  -0.806
  281   HD21  LEU  39          HD21      LEU  39 -12.302   6.768   2.539
  282   HD22  LEU  39          HD22      LEU  39 -13.482   5.524   2.123
  283   HD23  LEU  39          HD23      LEU  39 -14.000   7.196   2.334
  284    H    GLY  40           H        GLY  40  -9.165   4.777   0.491
  285    HA2  GLY  40           HA3      GLY  40  -8.703   3.326  -1.962
  286    HA3  GLY  40           HA2      GLY  40  -7.471   3.790  -0.796
  287    H    LEU  41           H        LEU  41  -8.538   2.468   1.475
  288    HA   LEU  41           HA       LEU  41  -7.416  -0.117   1.181
  289    HB2  LEU  41           HB3      LEU  41  -7.791   1.093   3.354
  290    HB3  LEU  41           HB2      LEU  41  -9.507   0.715   3.210
  291    HG   LEU  41           HG       LEU  41  -7.677  -1.593   2.887
  292   HD11  LEU  41          HD11      LEU  41  -7.343  -1.800   5.337
  293   HD12  LEU  41          HD12      LEU  41  -8.063  -0.206   5.559
  294   HD13  LEU  41          HD13      LEU  41  -6.536  -0.371   4.692
  295   HD21  LEU  41          HD21      LEU  41  -9.422  -2.626   4.336
  296   HD22  LEU  41          HD22      LEU  41 -10.121  -1.843   2.920
  297   HD23  LEU  41          HD23      LEU  41 -10.198  -1.051   4.494
  298    H    LEU  42           H        LEU  42 -10.798   0.958   0.997
  299    HA   LEU  42           HA       LEU  42 -11.946  -1.650   0.739
  300    HB2  LEU  42           HB3      LEU  42 -13.252   0.445   1.174
  301    HB3  LEU  42           HB2      LEU  42 -12.939   0.939  -0.482
  302    HG   LEU  42           HG       LEU  42 -13.986  -1.267  -1.217
  303   HD11  LEU  42          HD11      LEU  42 -15.683  -2.047   0.597
  304   HD12  LEU  42          HD12      LEU  42 -14.581  -1.274   1.732
  305   HD13  LEU  42          HD13      LEU  42 -14.014  -2.596   0.715
  306   HD21  LEU  42          HD21      LEU  42 -16.361  -0.301  -0.355
  307   HD22  LEU  42          HD22      LEU  42 -15.444   0.446  -1.664
  308   HD23  LEU  42          HD23      LEU  42 -15.338   1.099  -0.029
  309    H    LYS  43           H        LYS  43 -10.781   0.678  -1.693
  310    HA   LYS  43           HA       LYS  43 -11.428  -0.938  -3.969
  311    HB2  LYS  43           HB3      LYS  43  -9.351   1.223  -3.592
  312    HB3  LYS  43           HB2      LYS  43  -9.797   0.534  -5.149
  313    HG2  LYS  43           HG3      LYS  43 -12.161   1.224  -4.731
  314    HG3  LYS  43           HG2      LYS  43 -11.631   2.016  -3.247
  315    HD2  LYS  43           HD3      LYS  43 -10.060   3.409  -4.597
  316    HD3  LYS  43           HD2      LYS  43 -10.717   2.677  -6.061
  317    HE2  LYS  43           HE3      LYS  43 -13.025   3.439  -4.932
  318    HE3  LYS  43           HE2      LYS  43 -11.966   4.646  -4.202
  319    HZ1  LYS  43           HZ1      LYS  43 -11.388   4.326  -6.960
  320    HZ2  LYS  43           HZ2      LYS  43 -11.837   5.729  -6.114
  321    HZ3  LYS  43           HZ3      LYS  43 -13.030   4.694  -6.742
  322    H    VAL  44           H        VAL  44  -8.608  -0.743  -1.857
  323    HA   VAL  44           HA       VAL  44  -6.810  -2.282  -3.430
  324    HB   VAL  44           HB       VAL  44  -7.062  -1.974  -0.430
  325   HG11  VAL  44          HG11      VAL  44  -4.652  -2.786  -0.469
  326   HG12  VAL  44          HG12      VAL  44  -4.945  -3.320  -2.124
  327   HG13  VAL  44          HG13      VAL  44  -5.868  -4.022  -0.794
  328   HG21  VAL  44          HG21      VAL  44  -5.676  -0.157  -0.652
  329   HG22  VAL  44          HG22      VAL  44  -6.390  -0.102  -2.264
  330   HG23  VAL  44          HG23      VAL  44  -4.813  -0.854  -2.023
  331    H    ILE  45           H        ILE  45  -9.203  -3.318  -0.997
  332    HA   ILE  45           HA       ILE  45  -8.532  -6.075  -1.005
  333    HB   ILE  45           HB       ILE  45 -10.933  -4.460  -0.290
  334   HG12  ILE  45          HG13      ILE  45 -10.658  -5.798   1.815
  335   HG13  ILE  45          HG12      ILE  45  -9.286  -6.617   1.070
  336   HG21  ILE  45          HG21      ILE  45 -12.095  -6.171  -1.445
  337   HG22  ILE  45          HG22      ILE  45 -12.101  -6.686   0.241
  338   HG23  ILE  45          HG23      ILE  45 -10.972  -7.417  -0.899
  339   HD11  ILE  45          HD11      ILE  45  -8.435  -4.795   2.423
  340   HD12  ILE  45          HD12      ILE  45  -9.537  -3.654   1.653
  341   HD13  ILE  45          HD13      ILE  45  -8.216  -4.368   0.726
  342    H    ALA  46           H        ALA  46 -10.992  -4.341  -2.947
  343    HA   ALA  46           HA       ALA  46 -11.717  -6.656  -4.494
  344    HB1  ALA  46           HB1      ALA  46 -12.451  -3.884  -4.372
  345    HB2  ALA  46           HB2      ALA  46 -13.321  -5.214  -5.133
  346    HB3  ALA  46           HB3      ALA  46 -12.119  -4.307  -6.051
  347    H    TRP  47           H        TRP  47  -9.294  -4.109  -4.934
  348    HA   TRP  47           HA       TRP  47  -8.564  -4.856  -7.616
  349    HB2  TRP  47           HB3      TRP  47  -7.862  -2.701  -6.908
  350    HB3  TRP  47           HB2      TRP  47  -7.148  -3.335  -5.426
  351    HD1  TRP  47           HD1      TRP  47  -6.631  -3.570  -9.249
  352    HE1  TRP  47           HE1      TRP  47  -4.118  -3.939  -9.695
  353    HE3  TRP  47           HE3      TRP  47  -4.925  -3.932  -4.449
  354    HZ2  TRP  47           HZ2      TRP  47  -1.704  -4.330  -8.212
  355    HZ3  TRP  47           HZ3      TRP  47  -2.516  -4.302  -3.996
  356    HH2  TRP  47           HH2      TRP  47  -0.906  -4.502  -5.869
  357    H    LEU  48           H        LEU  48  -7.278  -5.734  -4.417
  358    HA   LEU  48           HA       LEU  48  -5.088  -7.280  -5.306
  359    HB2  LEU  48           HB3      LEU  48  -5.599  -6.622  -2.923
  360    HB3  LEU  48           HB2      LEU  48  -6.834  -7.870  -2.905
  361    HG   LEU  48           HG       LEU  48  -4.900  -9.423  -3.729
  362   HD11  LEU  48          HD11      LEU  48  -2.761  -8.665  -3.528
  363   HD12  LEU  48          HD12      LEU  48  -3.134  -7.718  -2.088
  364   HD13  LEU  48          HD13      LEU  48  -3.516  -7.080  -3.685
  365   HD21  LEU  48          HD21      LEU  48  -4.131  -9.319  -1.111
  366   HD22  LEU  48          HD22      LEU  48  -5.612 -10.099  -1.665
  367   HD23  LEU  48          HD23      LEU  48  -5.665  -8.452  -1.038
  368    H    GLU  49           H        GLU  49  -8.455  -8.269  -4.663
  369    HA   GLU  49           HA       GLU  49  -8.040 -11.017  -5.420
  370    HB2  GLU  49           HB3      GLU  49  -9.972 -10.270  -4.062
  371    HB3  GLU  49           HB2      GLU  49 -10.593  -9.380  -5.444
  372    HG2  GLU  49           HG3      GLU  49 -10.699 -11.500  -6.723
  373    HG3  GLU  49           HG2      GLU  49 -10.166 -12.366  -5.289
  374    H    ASP  50           H        ASP  50  -9.037  -8.113  -7.172
  375    HA   ASP  50           HA       ASP  50  -9.723  -9.412  -9.625
  376    HB2  ASP  50           HB3      ASP  50 -10.301  -7.054  -9.000
  377    HB3  ASP  50           HB2      ASP  50  -8.613  -6.628  -9.274
  378    H    ARG  51           H        ARG  51  -6.659  -8.036  -8.460
  379    HA   ARG  51           HA       ARG  51  -5.310  -8.753 -10.969
  380    HB2  ARG  51           HB3      ARG  51  -4.757  -6.670  -9.723
  381    HB3  ARG  51           HB2      ARG  51  -4.136  -7.662  -8.402
  382    HG2  ARG  51           HG3      ARG  51  -2.513  -8.699  -9.958
  383    HG3  ARG  51           HG2      ARG  51  -3.112  -7.666 -11.256
  384    HD2  ARG  51           HD3      ARG  51  -2.502  -5.668  -9.887
  385    HD3  ARG  51           HD2      ARG  51  -1.797  -6.747  -8.684
  386    HE   ARG  51           HE       ARG  51  -0.602  -6.028 -11.239
  387   HH11  ARG  51          HH11      ARG  51   1.406  -6.969 -11.678
  388   HH12  ARG  51          HH12      ARG  51   1.934  -8.326 -10.740
  389   HH21  ARG  51          HH21      ARG  51  -0.916  -8.411  -8.767
  390   HH22  ARG  51          HH22      ARG  51   0.620  -9.142  -9.093
  391    H    PHE  52           H        PHE  52  -4.708  -9.609  -7.528
  392    HA   PHE  52           HA       PHE  52  -2.977 -11.802  -8.337
  393    HB2  PHE  52           HB3      PHE  52  -4.068 -10.936  -5.654
  394    HB3  PHE  52           HB2      PHE  52  -2.942 -12.273  -5.866
  395    HD1  PHE  52           HD1      PHE  52  -0.675 -11.858  -6.853
  396    HD2  PHE  52           HD2      PHE  52  -3.333  -8.660  -5.780
  397    HE1  PHE  52           HE1      PHE  52   1.220 -10.262  -6.919
  398    HE2  PHE  52           HE2      PHE  52  -1.437  -7.062  -5.844
  399    HZ   PHE  52           HZ       PHE  52   0.840  -7.863  -6.414
  400    H    GLY  53           H        GLY  53  -6.387 -11.527  -7.711
  401    HA2  GLY  53           HA3      GLY  53  -8.018 -13.235  -8.021
  402    HA3  GLY  53           HA2      GLY  53  -6.707 -14.369  -8.337
  403    H    ILE  54           H        ILE  54  -6.698 -12.364  -5.476
  404    HA   ILE  54           HA       ILE  54  -7.010 -14.835  -3.836
  405    HB   ILE  54           HB       ILE  54  -5.891 -12.124  -3.057
  406   HG12  ILE  54          HG13      ILE  54  -4.368 -14.687  -3.592
  407   HG13  ILE  54          HG12      ILE  54  -4.602 -13.446  -4.824
  408   HG21  ILE  54          HG21      ILE  54  -6.458 -13.095  -1.032
  409   HG22  ILE  54          HG22      ILE  54  -4.860 -13.803  -1.268
  410   HG23  ILE  54          HG23      ILE  54  -6.304 -14.737  -1.657
  411   HD11  ILE  54          HD11      ILE  54  -2.434 -13.259  -3.513
  412   HD12  ILE  54          HD12      ILE  54  -3.413 -12.861  -2.101
  413   HD13  ILE  54          HD13      ILE  54  -3.434 -11.807  -3.515
  414    H    ALA  55           H        ALA  55  -8.587 -14.914  -2.214
  415    HA   ALA  55           HA       ALA  55 -10.940 -13.335  -2.545
  416    HB1  ALA  55           HB1      ALA  55 -11.229 -14.255  -0.013
  417    HB2  ALA  55           HB2      ALA  55  -9.958 -15.338  -0.581
  418    HB3  ALA  55           HB3      ALA  55 -11.499 -15.262  -1.436
  419    H    ALA  56           H        ALA  56 -11.813 -11.705  -1.090
  420    HA   ALA  56           HA       ALA  56 -10.051  -9.616  -0.447
  421    HB1  ALA  56           HB1      ALA  56 -12.412  -9.166  -0.579
  422    HB2  ALA  56           HB2      ALA  56 -11.914  -8.808   1.075
  423    HB3  ALA  56           HB3      ALA  56 -12.759 -10.315   0.715
  424    H    ASP  57           H        ASP  57 -11.190 -12.286   1.599
  425    HA   ASP  57           HA       ASP  57 -10.453 -12.986   3.720
  426    HB2  ASP  57           HB3      ASP  57  -7.906 -11.785   2.617
  427    HB3  ASP  57           HB2      ASP  57  -7.984 -12.797   4.056
  428    H    ASP  58           H        ASP  58 -11.853 -10.624   3.876
  429    HA   ASP  58           HA       ASP  58 -10.486  -8.420   5.027
  430    HB2  ASP  58           HB3      ASP  58 -13.306  -9.418   5.449
  431    HB3  ASP  58           HB2      ASP  58 -12.719  -7.862   6.031
  432    H    VAL  59           H        VAL  59  -9.673  -8.070   7.039
  433    HA   VAL  59           HA       VAL  59 -10.354 -10.015   9.199
  434    HB   VAL  59           HB       VAL  59  -7.952  -9.917   9.912
  435   HG11  VAL  59          HG11      VAL  59  -9.081 -11.247   7.598
  436   HG12  VAL  59          HG12      VAL  59  -7.927 -11.867   8.779
  437   HG13  VAL  59          HG13      VAL  59  -7.353 -10.975   7.369
  438   HG21  VAL  59          HG21      VAL  59  -6.295  -8.935   8.502
  439   HG22  VAL  59          HG22      VAL  59  -7.571  -7.724   8.618
  440   HG23  VAL  59          HG23      VAL  59  -7.439  -8.728   7.176
  441    H    GLU  60           H        GLU  60  -9.920  -9.094  11.395
  442    HA   GLU  60           HA       GLU  60 -10.556  -6.204  11.387
  443    HB2  GLU  60           HB3      GLU  60 -11.885  -7.768  12.797
  444    HB3  GLU  60           HB2      GLU  60 -10.428  -8.147  13.709
  445    HG2  GLU  60           HG3      GLU  60 -10.201  -5.759  14.300
  446    HG3  GLU  60           HG2      GLU  60 -11.695  -5.421  13.438
  447    H    LEU  61           H        LEU  61  -8.955  -4.751  11.613
  448    HA   LEU  61           HA       LEU  61  -6.604  -5.461  13.293
  449    HB2  LEU  61           HB3      LEU  61  -6.655  -4.707  10.435
  450    HB3  LEU  61           HB2      LEU  61  -5.488  -3.820  11.405
  451    HG   LEU  61           HG       LEU  61  -4.657  -6.028  12.281
  452   HD11  LEU  61          HD11      LEU  61  -6.031  -7.791  11.930
  453   HD12  LEU  61          HD12      LEU  61  -5.418  -7.787  10.277
  454   HD13  LEU  61          HD13      LEU  61  -6.917  -6.945  10.661
  455   HD21  LEU  61          HD21      LEU  61  -3.574  -6.672  10.053
  456   HD22  LEU  61          HD22      LEU  61  -3.365  -4.997  10.562
  457   HD23  LEU  61          HD23      LEU  61  -4.557  -5.401   9.326
  458    H    SER  62           H        SER  62  -5.258  -3.042  13.108
  459    HA   SER  62           HA       SER  62  -7.286  -1.018  13.934
  460    HB2  SER  62           HB3      SER  62  -6.496  -1.109  16.041
  461    HB3  SER  62           HB2      SER  62  -5.277  -2.288  15.566
  462    HG   SER  62           HG       SER  62  -3.856  -0.707  15.236
  463    HA   PRO  63           HA       PRO  63  -5.231   1.892  11.369
  464    HB2  PRO  63           HB3      PRO  63  -4.925   4.046  13.117
  465    HB3  PRO  63           HB2      PRO  63  -6.387   3.681  12.185
  466    HG2  PRO  63           HG3      PRO  63  -5.768   3.132  15.031
  467    HG3  PRO  63           HG2      PRO  63  -7.310   3.547  14.266
  468    HD2  PRO  63           HD3      PRO  63  -6.725   1.014  15.054
  469    HD3  PRO  63           HD2      PRO  63  -7.749   1.356  13.643
  470    H    GLU  64           H        GLU  64  -3.782   1.052  14.414
  471    HA   GLU  64           HA       GLU  64  -1.316   2.435  14.236
  472    HB2  GLU  64           HB3      GLU  64  -2.111   1.160  16.225
  473    HB3  GLU  64           HB2      GLU  64  -1.765  -0.329  15.359
  474    HG2  GLU  64           HG3      GLU  64   0.595   0.399  15.115
  475    HG3  GLU  64           HG2      GLU  64   0.226   1.818  16.087
  476    H    HIS  65           H        HIS  65  -2.424  -0.514  12.672
  477    HA   HIS  65           HA       HIS  65   0.159  -1.388  11.747
  478    HB2  HIS  65           HB3      HIS  65  -1.704  -2.941  11.877
  479    HB3  HIS  65           HB2      HIS  65  -2.625  -1.981  10.718
  480    HD1  HIS  65           HD1      HIS  65  -2.292  -2.520   8.292
  481    HD2  HIS  65           HD2      HIS  65   0.773  -4.069  10.662
  482    HE1  HIS  65           HE1      HIS  65  -0.841  -3.927   6.762
  483    HE2  HIS  65           HE2      HIS  65   1.029  -4.869   8.193
  484    H    PHE  66           H        PHE  66  -2.138   0.948  10.484
  485    HA   PHE  66           HA       PHE  66  -0.732   0.993   7.874
  486    HB2  PHE  66           HB3      PHE  66  -3.124   2.575   8.854
  487    HB3  PHE  66           HB2      PHE  66  -2.512   2.553   7.200
  488    HD1  PHE  66           HD1      PHE  66  -4.181   0.584   9.832
  489    HD2  PHE  66           HD2      PHE  66  -2.831   0.621   5.757
  490    HE1  PHE  66           HE1      PHE  66  -5.502  -1.461   9.379
  491    HE2  PHE  66           HE2      PHE  66  -4.152  -1.428   5.302
  492    HZ   PHE  66           HZ       PHE  66  -5.489  -2.470   7.115
  493    H    ARG  67           H        ARG  67   0.034   2.249  10.752
  494    HA   ARG  67           HA       ARG  67   0.313   5.049  10.321
  495    HB2  ARG  67           HB3      ARG  67   2.071   3.186  11.942
  496    HB3  ARG  67           HB2      ARG  67   2.050   4.942  12.078
  497    HG2  ARG  67           HG3      ARG  67  -0.483   3.364  12.373
  498    HG3  ARG  67           HG2      ARG  67   0.609   3.558  13.744
  499    HD2  ARG  67           HD3      ARG  67   0.507   6.058  13.339
  500    HD3  ARG  67           HD2      ARG  67  -0.774   5.748  12.169
  501    HE   ARG  67           HE       ARG  67  -1.268   4.568  14.801
  502   HH11  ARG  67          HH11      ARG  67  -3.036   5.432  15.911
  503   HH12  ARG  67          HH12      ARG  67  -3.742   6.918  15.367
  504   HH21  ARG  67          HH21      ARG  67  -1.540   7.300  12.717
  505   HH22  ARG  67          HH22      ARG  67  -2.895   7.975  13.557
  506    H    SER  68           H        SER  68   2.475   2.357   9.436
  507    HA   SER  68           HA       SER  68   4.053   4.338   7.833
  508    HB2  SER  68           HB3      SER  68   5.109   1.895   9.277
  509    HB3  SER  68           HB2      SER  68   6.062   2.991   8.280
  510    HG   SER  68           HG       SER  68   4.637   4.380  10.081
  511    H    ILE  69           H        ILE  69   4.762   3.642   5.790
  512    HA   ILE  69           HA       ILE  69   3.116   1.772   4.404
  513    HB   ILE  69           HB       ILE  69   5.840   2.871   3.655
  514   HG12  ILE  69          HG13      ILE  69   3.090   3.850   2.880
  515   HG13  ILE  69          HG12      ILE  69   4.054   4.567   4.163
  516   HG21  ILE  69          HG21      ILE  69   4.200   2.461   1.417
  517   HG22  ILE  69          HG22      ILE  69   4.052   1.001   2.393
  518   HG23  ILE  69          HG23      ILE  69   5.641   1.547   1.859
  519   HD11  ILE  69          HD11      ILE  69   4.234   5.671   1.856
  520   HD12  ILE  69          HD12      ILE  69   5.122   4.230   1.361
  521   HD13  ILE  69          HD13      ILE  69   5.754   5.255   2.649
  522    H    ARG  70           H        ARG  70   6.312   1.486   5.899
  523    HA   ARG  70           HA       ARG  70   7.060  -1.025   4.802
  524    HB2  ARG  70           HB3      ARG  70   7.691   0.159   7.522
  525    HB3  ARG  70           HB2      ARG  70   8.525  -1.219   6.806
  526    HG2  ARG  70           HG3      ARG  70   9.146   0.217   4.860
  527    HG3  ARG  70           HG2      ARG  70   8.405   1.593   5.678
  528    HD2  ARG  70           HD3      ARG  70  10.734  -0.057   6.701
  529    HD3  ARG  70           HD2      ARG  70  10.810   1.601   6.104
  530    HE   ARG  70           HE       ARG  70   8.950   1.697   8.169
  531   HH11  ARG  70          HH11      ARG  70   9.545   2.163  10.299
  532   HH12  ARG  70          HH12      ARG  70  11.167   1.854  10.818
  533   HH21  ARG  70          HH21      ARG  70  12.202   0.638   7.740
  534   HH22  ARG  70          HH22      ARG  70  12.672   0.990   9.370
  535    H    SER  71           H        SER  71   5.039  -0.254   7.627
  536    HA   SER  71           HA       SER  71   4.848  -2.901   8.658
  537    HB2  SER  71           HB3      SER  71   2.869  -2.105   9.821
  538    HB3  SER  71           HB2      SER  71   4.074  -0.824   9.829
  539    HG   SER  71           HG       SER  71   2.816   0.345   8.610
  540    H    ILE  72           H        ILE  72   3.053  -1.220   6.110
  541    HA   ILE  72           HA       ILE  72   1.064  -3.239   5.713
  542    HB   ILE  72           HB       ILE  72   2.231  -1.245   3.747
  543   HG12  ILE  72          HG13      ILE  72  -0.253  -1.061   5.483
  544   HG13  ILE  72          HG12      ILE  72   1.278  -0.266   5.855
  545   HG21  ILE  72          HG21      ILE  72  -0.352  -2.826   3.752
  546   HG22  ILE  72          HG22      ILE  72   0.995  -3.031   2.635
  547   HG23  ILE  72          HG23      ILE  72   0.043  -1.548   2.604
  548   HD11  ILE  72          HD11      ILE  72  -0.119   1.349   4.730
  549   HD12  ILE  72          HD12      ILE  72  -0.488   0.206   3.439
  550   HD13  ILE  72          HD13      ILE  72   1.143   0.860   3.599
  551    H    ASP  73           H        ASP  73   4.301  -2.715   4.379
  552    HA   ASP  73           HA       ASP  73   4.282  -4.691   2.359
  553    HB2  ASP  73           HB3      ASP  73   6.117  -3.011   2.810
  554    HB3  ASP  73           HB2      ASP  73   6.631  -4.029   4.155
  555    H    ALA  74           H        ALA  74   4.882  -4.999   5.851
  556    HA   ALA  74           HA       ALA  74   5.677  -7.750   5.778
  557    HB1  ALA  74           HB1      ALA  74   5.502  -5.858   7.743
  558    HB2  ALA  74           HB2      ALA  74   5.742  -7.578   8.050
  559    HB3  ALA  74           HB3      ALA  74   4.123  -6.883   8.138
  560    H    PHE  75           H        PHE  75   2.496  -6.207   6.128
  561    HA   PHE  75           HA       PHE  75   1.022  -8.633   6.514
  562    HB2  PHE  75           HB3      PHE  75   0.127  -6.340   6.948
  563    HB3  PHE  75           HB2      PHE  75   0.067  -6.080   5.207
  564    HD1  PHE  75           HD1      PHE  75  -1.628  -7.102   3.836
  565    HD2  PHE  75           HD2      PHE  75  -1.303  -8.084   8.006
  566    HE1  PHE  75           HE1      PHE  75  -3.824  -8.251   3.737
  567    HE2  PHE  75           HE2      PHE  75  -3.498  -9.233   7.906
  568    HZ   PHE  75           HZ       PHE  75  -4.759  -9.316   5.772
  569    H    VAL  76           H        VAL  76   1.772  -6.763   3.570
  570    HA   VAL  76           HA       VAL  76   0.376  -8.479   1.762
  571    HB   VAL  76           HB       VAL  76   2.741  -6.627   1.359
  572   HG11  VAL  76          HG11      VAL  76   2.022  -6.723  -1.049
  573   HG12  VAL  76          HG12      VAL  76   0.970  -8.070  -0.622
  574   HG13  VAL  76          HG13      VAL  76   2.717  -8.226  -0.446
  575   HG21  VAL  76          HG21      VAL  76   0.104  -6.064   1.990
  576   HG22  VAL  76          HG22      VAL  76   0.116  -5.950   0.230
  577   HG23  VAL  76          HG23      VAL  76   1.216  -4.956   1.186
  578    H    VAL  77           H        VAL  77   3.778  -8.451   2.867
  579    HA   VAL  77           HA       VAL  77   4.675 -10.552   1.162
  580    HB   VAL  77           HB       VAL  77   5.618  -9.568   3.862
  581   HG11  VAL  77          HG11      VAL  77   6.490 -11.872   2.189
  582   HG12  VAL  77          HG12      VAL  77   6.552 -11.666   3.939
  583   HG13  VAL  77          HG13      VAL  77   7.752 -10.877   2.915
  584   HG21  VAL  77          HG21      VAL  77   7.377  -8.517   2.561
  585   HG22  VAL  77          HG22      VAL  77   5.828  -8.082   1.837
  586   HG23  VAL  77          HG23      VAL  77   6.830  -9.326   1.092
  587    H    GLY  78           H        GLY  78   3.304 -10.600   4.444
  588    HA2  GLY  78           HA3      GLY  78   3.621 -13.384   4.927
  589    HA3  GLY  78           HA2      GLY  78   2.401 -12.365   5.689
  590    H    ALA  79           H        ALA  79   1.205 -11.629   3.055
  591    HA   ALA  79           HA       ALA  79  -0.371 -14.118   2.731
  592    HB1  ALA  79           HB1      ALA  79  -1.895 -12.522   1.402
  593    HB2  ALA  79           HB2      ALA  79  -0.878 -11.228   2.038
  594    HB3  ALA  79           HB3      ALA  79  -1.783 -12.263   3.144
  595    H    THR  80           H        THR  80   1.186 -11.644   0.684
  596    HA   THR  80           HA       THR  80   1.667 -13.782  -1.330
  597    HB   THR  80           HB       THR  80  -0.402 -12.417  -1.907
  598    HG1  THR  80           HG1      THR  80   1.060 -13.496  -3.427
  599   HG21  THR  80          HG21      THR  80  -0.313 -10.164  -2.124
  600   HG22  THR  80          HG22      THR  80   1.263 -10.212  -2.912
  601   HG23  THR  80          HG23      THR  80   1.154 -10.283  -1.154
  602    H    THR  81           H        THR  81   3.460 -13.284  -2.764
  603    HA   THR  81           HA       THR  81   5.174 -11.026  -1.849
  604    HB   THR  81           HB       THR  81   6.179 -12.859  -0.769
  605    HG1  THR  81           HG1      THR  81   7.669 -11.737  -2.064
  606   HG21  THR  81          HG21      THR  81   5.342 -14.355  -3.236
  607   HG22  THR  81          HG22      THR  81   5.048 -14.748  -1.541
  608   HG23  THR  81          HG23      THR  81   6.652 -14.982  -2.235
  609    HA   PRO  82           HA       PRO  82   4.880 -11.017  -6.442
  610    HB2  PRO  82           HB3      PRO  82   4.631  -8.314  -6.722
  611    HB3  PRO  82           HB2      PRO  82   3.260  -9.384  -6.381
  612    HG2  PRO  82           HG3      PRO  82   4.707  -7.542  -4.591
  613    HG3  PRO  82           HG2      PRO  82   3.019  -8.068  -4.553
  614    HD2  PRO  82           HD3      PRO  82   5.087  -9.033  -2.908
  615    HD3  PRO  82           HD2      PRO  82   3.491  -9.782  -3.123
  616    HA   PRO  83           HA       PRO  83   9.070 -10.047  -7.435
  617    HB2  PRO  83           HB3      PRO  83   8.758  -8.743  -9.874
  618    HB3  PRO  83           HB2      PRO  83   8.776 -10.502  -9.654
  619    HG2  PRO  83           HG3      PRO  83   6.475  -8.661  -9.996
  620    HG3  PRO  83           HG2      PRO  83   6.694 -10.321 -10.572
  621    HD2  PRO  83           HD3      PRO  83   5.127  -9.725  -8.433
  622    HD3  PRO  83           HD2      PRO  83   6.021 -11.256  -8.559
  623    H    VAL  84           H        VAL  84  10.601  -8.313  -7.384
  624    HA   VAL  84           HA       VAL  84   9.474  -5.759  -6.418
  625    HB   VAL  84           HB       VAL  84  11.763  -5.222  -5.777
  626   HG11  VAL  84          HG11      VAL  84  10.774  -8.001  -5.163
  627   HG12  VAL  84          HG12      VAL  84  10.771  -6.572  -4.128
  628   HG13  VAL  84          HG13      VAL  84  12.284  -7.410  -4.468
  629   HG21  VAL  84          HG21      VAL  84  13.110  -5.984  -7.546
  630   HG22  VAL  84          HG22      VAL  84  12.377  -7.588  -7.538
  631   HG23  VAL  84          HG23      VAL  84  13.492  -7.119  -6.253
  632    H    GLU  85           H        GLU  85   9.408  -3.931  -7.635
  633    HA   GLU  85           HA       GLU  85  10.968  -3.876 -10.178
  634    HB2  GLU  85           HB3      GLU  85   8.136  -2.879  -9.746
  635    HB3  GLU  85           HB2      GLU  85   9.064  -2.710 -11.238
  636    HG2  GLU  85           HG3      GLU  85   9.251  -5.188 -11.370
  637    HG3  GLU  85           HG2      GLU  85   8.244  -5.319  -9.928
  638    H    ALA  86           H        ALA  86  11.894  -1.866 -10.679
  639    HA   ALA  86           HA       ALA  86  12.221  -0.023  -8.454
  640    HB1  ALA  86           HB1      ALA  86  13.443   1.337 -10.298
  641    HB2  ALA  86           HB2      ALA  86  13.188  -0.086 -11.310
  642    HB3  ALA  86           HB3      ALA  86  14.130  -0.218  -9.826
  643    H    LYS  87           H        LYS  87  11.372   2.083  -8.272
  644    HA   LYS  87           HA       LYS  87   8.777   2.566  -9.316
  645    HB2  LYS  87           HB3      LYS  87  10.838   4.521  -8.252
  646    HB3  LYS  87           HB2      LYS  87   9.151   4.931  -8.567
  647    HG2  LYS  87           HG3      LYS  87   8.463   3.114  -6.991
  648    HG3  LYS  87           HG2      LYS  87  10.165   2.847  -6.611
  649    HD2  LYS  87           HD3      LYS  87  10.347   5.219  -5.885
  650    HD3  LYS  87           HD2      LYS  87   8.622   5.425  -6.190
  651    HE2  LYS  87           HE3      LYS  87   8.589   4.918  -3.923
  652    HE3  LYS  87           HE2      LYS  87   8.420   3.305  -4.615
  653    HZ1  LYS  87           HZ1      LYS  87  10.829   4.577  -3.478
  654    HZ2  LYS  87           HZ2      LYS  87  10.953   3.261  -4.544
  655    HZ3  LYS  87           HZ3      LYS  87  10.123   3.089  -3.072
  656    H    LEU  88           H        LEU  88  11.969   3.422 -10.547
  657    HA   LEU  88           HA       LEU  88  10.783   4.999 -12.747
  658    HB2  LEU  88           HB3      LEU  88  13.682   4.250 -12.261
  659    HB3  LEU  88           HB2      LEU  88  13.086   5.478 -13.379
  660    HG   LEU  88           HG       LEU  88  12.826   5.515 -10.358
  661   HD11  LEU  88          HD11      LEU  88  14.262   7.426 -12.219
  662   HD12  LEU  88          HD12      LEU  88  15.065   6.098 -11.383
  663   HD13  LEU  88          HD13      LEU  88  14.324   7.402 -10.456
  664   HD21  LEU  88          HD21      LEU  88  11.586   7.151 -12.550
  665   HD22  LEU  88          HD22      LEU  88  11.993   7.932 -11.022
  666   HD23  LEU  88          HD23      LEU  88  10.865   6.575 -11.047
  667    H    GLN  89           H        GLN  89  10.730   4.296 -14.894
  668    HA   GLN  89           HA       GLN  89  11.213   1.384 -15.277
  669    HB2  GLN  89           HB3      GLN  89   8.960   2.321 -15.832
  670    HB3  GLN  89           HB2      GLN  89   9.723   3.332 -17.061
  671    HG2  GLN  89           HG3      GLN  89  10.621   1.258 -18.138
  672    HG3  GLN  89           HG2      GLN  89   9.706   0.302 -16.972
  673   HE21  GLN  89          HE21      GLN  89   7.714  -0.360 -17.771
  674   HE22  GLN  89          HE22      GLN  89   6.784   0.490 -18.909
  675    H3   7V9 101          1H1       NIA 101 -10.875   1.405   6.823
  676    H4   7V9 101          2H1       NIA 101 -12.297   0.699   7.592
  677    H5   7V9 101          1HE1      NIA 101 -10.374   0.933  10.980
  678    H6   7V9 101          2HE1      NIA 101 -12.004   1.216  10.370
  679    H7   7V9 101          3HE1      NIA 101 -10.760   2.449  10.166
  680    H8   7V9 101          2HE2      NIA 101  -8.987   2.140   8.347
  681    H9   7V9 101          3HE2      NIA 101  -8.764   0.517   7.694
  682    H10  7V9 101          1HE2      NIA 101  -8.484   0.824   9.409
  683    H11  7V9 101          3H        NIA 101 -10.625  -1.167   7.919
  684    H12  7V9 101          3HO       NIA 101 -12.618  -1.213   8.647
  685    H13  7V9 101          5H        NIA 101  -7.829  -0.894   9.415
  686    H14  7V9 101          1H6       NIA 101  -7.066  -3.057   8.920
  687    H15  7V9 101          2H6       NIA 101  -8.543  -3.681   9.654
  688    H16  7V9 101          1H7       NIA 101  -8.811  -2.335   7.009
  689    H17  7V9 101          2H7       NIA 101  -9.676  -3.731   7.652
  690    H18  7V9 101          9H        NIA 101  -8.790  -4.310   5.113
  691    H19  7V9 101          1H10      NIA 101  -6.965  -3.617   3.730
  692    H20  7V9 101          2H10      NIA 101  -5.918  -3.620   5.149
  693    H21  7V9 101          1H11      NIA 101  -6.914  -6.032   3.606
  694    H22  7V9 101          2H11      NIA 101  -6.070  -6.140   5.150
  695    H25  7V9 101          5H1       NIA 101  -2.967  -3.656   2.346
  696    H26  7V9 101          7H1       NIA 101  -1.328  -4.154  -1.482
  697    H27  7V9 101          8H1       NIA 101  -3.401  -5.370  -2.175
  698    H28  7V9 101          9H1       NIA 101  -4.537  -6.624  -0.250
  Start of MODEL   13
    1    H1   MET   1           H1       MET   1  10.898  -2.176  -2.063
    2    H2   MET   1           H2       MET   1  12.095  -1.611  -0.998
    3    H3   MET   1           H3       MET   1  10.509  -1.863  -0.442
    4    HA   MET   1           HA       MET   1  12.646  -3.674  -0.478
    5    HB2  MET   1           HB3      MET   1   9.709  -4.036   0.201
    6    HB3  MET   1           HB2      MET   1  11.031  -5.070   0.745
    7    HG2  MET   1           HG3      MET   1  10.699  -2.124   1.390
    8    HG3  MET   1           HG2      MET   1  10.431  -3.463   2.504
    9    HE1  MET   1           HE1      MET   1  11.948  -5.215   2.921
   10    HE2  MET   1           HE2      MET   1  13.666  -5.011   3.251
   11    HE3  MET   1           HE3      MET   1  13.135  -5.454   1.630
   12    H    GLN   2           H        GLN   2  10.480  -5.910  -0.763
   13    HA   GLN   2           HA       GLN   2  11.331  -6.897  -3.287
   14    HB2  GLN   2           HB3      GLN   2   8.823  -7.532  -1.701
   15    HB3  GLN   2           HB2      GLN   2   9.404  -8.476  -3.075
   16    HG2  GLN   2           HG3      GLN   2  11.505  -8.941  -1.893
   17    HG3  GLN   2           HG2      GLN   2  10.971  -7.957  -0.529
   18   HE21  GLN   2          HE21      GLN   2  11.585 -10.714  -0.153
   19   HE22  GLN   2          HE22      GLN   2  10.150 -11.550   0.192
   20    H    HIS   3           H        HIS   3   8.559  -4.894  -2.388
   21    HA   HIS   3           HA       HIS   3   8.277  -3.984  -5.139
   22    HB2  HIS   3           HB3      HIS   3   6.832  -6.294  -4.411
   23    HB3  HIS   3           HB2      HIS   3   5.664  -4.973  -4.383
   24    HD1  HIS   3           HD1      HIS   3   8.557  -5.924  -6.705
   25    HD2  HIS   3           HD2      HIS   3   4.579  -4.684  -6.897
   26    HE1  HIS   3           HE1      HIS   3   7.970  -5.772  -9.166
   27    HE2  HIS   3           HE2      HIS   3   5.551  -5.019  -9.293
   28    H    ALA   4           H        ALA   4   8.578  -3.032  -2.280
   29    HA   ALA   4           HA       ALA   4   6.175  -1.759  -1.421
   30    HB1  ALA   4           HB1      ALA   4   8.509  -2.031  -0.237
   31    HB2  ALA   4           HB2      ALA   4   7.506  -0.626   0.125
   32    HB3  ALA   4           HB3      ALA   4   8.857  -0.479  -0.998
   33    H    SER   5           H        SER   5   8.666  -0.780  -3.735
   34    HA   SER   5           HA       SER   5   7.896   1.935  -4.041
   35    HB2  SER   5           HB3      SER   5   9.943   0.863  -5.043
   36    HB3  SER   5           HB2      SER   5   8.897   0.098  -6.235
   37    HG   SER   5           HG       SER   5   9.018   2.894  -5.751
   38    H    VAL   6           H        VAL   6   6.637  -1.014  -5.562
   39    HA   VAL   6           HA       VAL   6   4.854   0.315  -7.373
   40    HB   VAL   6           HB       VAL   6   4.721  -2.430  -6.117
   41   HG11  VAL   6          HG11      VAL   6   2.973  -1.033  -8.119
   42   HG12  VAL   6          HG12      VAL   6   2.508  -2.084  -6.782
   43   HG13  VAL   6          HG13      VAL   6   3.217  -2.775  -8.241
   44   HG21  VAL   6          HG21      VAL   6   5.307  -2.939  -8.637
   45   HG22  VAL   6          HG22      VAL   6   6.585  -2.455  -7.523
   46   HG23  VAL   6          HG23      VAL   6   5.888  -1.275  -8.631
   47    H    ILE   7           H        ILE   7   4.507  -0.817  -4.042
   48    HA   ILE   7           HA       ILE   7   1.723  -0.348  -3.749
   49    HB   ILE   7           HB       ILE   7   3.925  -0.067  -1.685
   50   HG12  ILE   7          HG13      ILE   7   2.132  -2.429  -2.329
   51   HG13  ILE   7          HG12      ILE   7   3.800  -2.275  -2.883
   52   HG21  ILE   7          HG21      ILE   7   1.962   0.941  -0.787
   53   HG22  ILE   7          HG22      ILE   7   1.971  -0.702  -0.144
   54   HG23  ILE   7          HG23      ILE   7   0.915  -0.288  -1.496
   55   HD11  ILE   7          HD11      ILE   7   2.814  -3.130  -0.298
   56   HD12  ILE   7          HD12      ILE   7   3.878  -1.735  -0.123
   57   HD13  ILE   7          HD13      ILE   7   4.458  -3.190  -0.935
   58    H    ALA   8           H        ALA   8   4.487   1.813  -3.087
   59    HA   ALA   8           HA       ALA   8   2.908   4.058  -2.274
   60    HB1  ALA   8           HB1      ALA   8   5.012   5.361  -3.025
   61    HB2  ALA   8           HB2      ALA   8   5.699   3.777  -3.381
   62    HB3  ALA   8           HB3      ALA   8   5.207   4.175  -1.735
   63    H    GLN   9           H        GLN   9   4.281   3.183  -5.442
   64    HA   GLN   9           HA       GLN   9   3.148   5.471  -6.774
   65    HB2  GLN   9           HB3      GLN   9   4.240   4.717  -8.625
   66    HB3  GLN   9           HB2      GLN   9   5.054   3.673  -7.466
   67    HG2  GLN   9           HG3      GLN   9   4.346   2.206  -9.172
   68    HG3  GLN   9           HG2      GLN   9   3.140   2.005  -7.908
   69   HE21  GLN   9          HE21      GLN   9   1.206   1.663  -9.068
   70   HE22  GLN   9          HE22      GLN   9   0.630   2.695 -10.285
   71    H    PHE  10           H        PHE  10   2.035   2.176  -6.215
   72    HA   PHE  10           HA       PHE  10  -0.266   2.352  -7.938
   73    HB2  PHE  10           HB3      PHE  10   0.726   0.216  -7.050
   74    HB3  PHE  10           HB2      PHE  10   0.083   0.636  -5.463
   75    HD1  PHE  10           HD1      PHE  10  -0.812  -0.223  -8.953
   76    HD2  PHE  10           HD2      PHE  10  -2.263   0.445  -4.966
   77    HE1  PHE  10           HE1      PHE  10  -3.011  -1.172  -9.595
   78    HE2  PHE  10           HE2      PHE  10  -4.464  -0.503  -5.608
   79    HZ   PHE  10           HZ       PHE  10  -4.835  -1.312  -7.922
   80    H    VAL  11           H        VAL  11   0.161   2.776  -4.433
   81    HA   VAL  11           HA       VAL  11  -2.579   3.512  -3.937
   82    HB   VAL  11           HB       VAL  11  -0.068   4.113  -2.346
   83   HG11  VAL  11          HG11      VAL  11  -3.010   4.217  -1.632
   84   HG12  VAL  11          HG12      VAL  11  -1.870   5.563  -1.636
   85   HG13  VAL  11          HG13      VAL  11  -1.707   4.274  -0.444
   86   HG21  VAL  11          HG21      VAL  11  -0.735   1.667  -2.897
   87   HG22  VAL  11          HG22      VAL  11  -2.094   1.944  -1.807
   88   HG23  VAL  11          HG23      VAL  11  -0.441   2.079  -1.208
   89    H    VAL  12           H        VAL  12   0.397   5.437  -4.346
   90    HA   VAL  12           HA       VAL  12  -0.823   7.990  -3.984
   91    HB   VAL  12           HB       VAL  12   1.637   7.169  -5.527
   92   HG11  VAL  12          HG11      VAL  12   0.389   9.844  -4.989
   93   HG12  VAL  12          HG12      VAL  12   1.188   9.262  -6.450
   94   HG13  VAL  12          HG13      VAL  12   2.147   9.709  -5.038
   95   HG21  VAL  12          HG21      VAL  12   1.836   8.739  -3.040
   96   HG22  VAL  12          HG22      VAL  12   2.751   7.320  -3.548
   97   HG23  VAL  12          HG23      VAL  12   1.155   7.126  -2.823
   98    H    GLU  13           H        GLU  13  -0.458   5.964  -6.852
   99    HA   GLU  13           HA       GLU  13  -1.075   7.825  -8.859
  100    HB2  GLU  13           HB3      GLU  13  -0.466   5.437  -9.255
  101    HB3  GLU  13           HB2      GLU  13  -2.079   4.979  -8.730
  102    HG2  GLU  13           HG3      GLU  13  -3.021   6.441 -10.534
  103    HG3  GLU  13           HG2      GLU  13  -1.373   6.704 -11.103
  104    H    GLU  14           H        GLU  14  -3.258   6.150  -6.641
  105    HA   GLU  14           HA       GLU  14  -5.690   7.002  -7.907
  106    HB2  GLU  14           HB3      GLU  14  -5.126   6.197  -5.043
  107    HB3  GLU  14           HB2      GLU  14  -6.741   6.423  -5.716
  108    HG2  GLU  14           HG3      GLU  14  -6.245   4.691  -7.429
  109    HG3  GLU  14           HG2      GLU  14  -4.666   4.433  -6.685
  110    H    PHE  15           H        PHE  15  -3.641   8.493  -5.424
  111    HA   PHE  15           HA       PHE  15  -5.605  10.677  -5.085
  112    HB2  PHE  15           HB3      PHE  15  -2.879  10.329  -3.809
  113    HB3  PHE  15           HB2      PHE  15  -4.131  11.471  -3.317
  114    HD1  PHE  15           HD1      PHE  15  -3.013   8.008  -3.254
  115    HD2  PHE  15           HD2      PHE  15  -6.265  10.649  -2.328
  116    HE1  PHE  15           HE1      PHE  15  -4.040   6.242  -1.856
  117    HE2  PHE  15           HE2      PHE  15  -7.296   8.886  -0.919
  118    HZ   PHE  15           HZ       PHE  15  -6.185   6.681  -0.683
  119    H    LEU  16           H        LEU  16  -2.068  10.636  -5.712
  120    HA   LEU  16           HA       LEU  16  -2.515  12.963  -7.547
  121    HB2  LEU  16           HB3      LEU  16  -0.698  12.621  -5.243
  122    HB3  LEU  16           HB2      LEU  16   0.049  13.309  -6.684
  123    HG   LEU  16           HG       LEU  16  -2.545  14.332  -5.501
  124   HD11  LEU  16          HD11      LEU  16   0.226  14.741  -4.674
  125   HD12  LEU  16          HD12      LEU  16  -1.265  15.226  -3.867
  126   HD13  LEU  16          HD13      LEU  16  -0.564  16.254  -5.117
  127   HD21  LEU  16          HD21      LEU  16  -2.614  15.600  -7.363
  128   HD22  LEU  16          HD22      LEU  16  -1.182  14.768  -7.966
  129   HD23  LEU  16          HD23      LEU  16  -1.009  16.236  -7.005
  130    HA   PRO  17           HA       PRO  17  -0.228   9.727  -9.881
  131    HB2  PRO  17           HB3      PRO  17  -1.850   9.718 -12.068
  132    HB3  PRO  17           HB2      PRO  17  -2.181   8.759 -10.616
  133    HG2  PRO  17           HG3      PRO  17  -3.469  11.221 -11.572
  134    HG3  PRO  17           HG2      PRO  17  -4.115   9.916 -10.571
  135    HD2  PRO  17           HD3      PRO  17  -3.211  12.443  -9.663
  136    HD3  PRO  17           HD2      PRO  17  -3.623  11.040  -8.657
  137    H    ASP  18           H        ASP  18  -1.244  12.977 -10.632
  138    HA   ASP  18           HA       ASP  18   0.296  13.184 -13.098
  139    HB2  ASP  18           HB3      ASP  18  -0.258  15.563 -12.971
  140    HB3  ASP  18           HB2      ASP  18  -1.696  14.604 -12.635
  141    H    VAL  19           H        VAL  19   1.157  12.923  -9.914
  142    HA   VAL  19           HA       VAL  19   3.645  14.539 -10.301
  143    HB   VAL  19           HB       VAL  19   2.367  13.609  -7.708
  144   HG11  VAL  19          HG11      VAL  19   4.044  15.177  -6.706
  145   HG12  VAL  19          HG12      VAL  19   4.757  15.379  -8.306
  146   HG13  VAL  19          HG13      VAL  19   4.789  13.801  -7.519
  147   HG21  VAL  19          HG21      VAL  19   1.951  15.951  -9.410
  148   HG22  VAL  19          HG22      VAL  19   2.447  16.394  -7.776
  149   HG23  VAL  19          HG23      VAL  19   1.013  15.397  -8.023
  150    H    ALA  20           H        ALA  20   5.619  13.431 -10.088
  151    HA   ALA  20           HA       ALA  20   5.612  10.625 -10.515
  152    HB1  ALA  20           HB1      ALA  20   7.569  12.715 -10.281
  153    HB2  ALA  20           HB2      ALA  20   7.738  11.137 -11.049
  154    HB3  ALA  20           HB3      ALA  20   8.094  11.325  -9.333
  155    HA   PRO  21           HA       PRO  21   4.696   9.652  -6.181
  156    HB2  PRO  21           HB3      PRO  21   4.869   6.906  -6.420
  157    HB3  PRO  21           HB2      PRO  21   3.417   7.862  -6.781
  158    HG2  PRO  21           HG3      PRO  21   5.409   6.678  -8.622
  159    HG3  PRO  21           HG2      PRO  21   3.668   6.924  -8.834
  160    HD2  PRO  21           HD3      PRO  21   5.586   8.504  -9.995
  161    HD3  PRO  21           HD2      PRO  21   3.937   9.067  -9.635
  162    H    ALA  22           H        ALA  22   7.456   8.437  -7.976
  163    HA   ALA  22           HA       ALA  22   8.911   7.449  -5.675
  164    HB1  ALA  22           HB1      ALA  22  10.682   8.304  -7.769
  165    HB2  ALA  22           HB2      ALA  22   9.279   7.521  -8.497
  166    HB3  ALA  22           HB3      ALA  22  10.251   6.658  -7.303
  167    H    ASP  23           H        ASP  23   8.199  10.563  -6.863
  168    HA   ASP  23           HA       ASP  23  10.593  11.861  -5.776
  169    HB2  ASP  23           HB3      ASP  23   7.991  12.966  -6.876
  170    HB3  ASP  23           HB2      ASP  23   9.337  13.969  -6.336
  171    H    VAL  24           H        VAL  24   7.967  10.453  -4.407
  172    HA   VAL  24           HA       VAL  24   7.660  12.489  -2.261
  173    HB   VAL  24           HB       VAL  24   6.160   9.885  -2.690
  174   HG11  VAL  24          HG11      VAL  24   6.327  11.661  -0.477
  175   HG12  VAL  24          HG12      VAL  24   5.225  10.300  -0.687
  176   HG13  VAL  24          HG13      VAL  24   4.748  11.911  -1.220
  177   HG21  VAL  24          HG21      VAL  24   5.470  12.746  -3.430
  178   HG22  VAL  24          HG22      VAL  24   4.326  11.405  -3.478
  179   HG23  VAL  24          HG23      VAL  24   5.729  11.405  -4.545
  180    H    ASP  25           H        ASP  25   8.464  12.090  -0.202
  181    HA   ASP  25           HA       ASP  25  10.507  10.090   0.083
  182    HB2  ASP  25           HB3      ASP  25  10.431  12.254   1.353
  183    HB3  ASP  25           HB2      ASP  25   9.083  11.605   2.288
  184    H    VAL  26           H        VAL  26   9.575   8.039  -0.309
  185    HA   VAL  26           HA       VAL  26   7.172   7.071   0.877
  186    HB   VAL  26           HB       VAL  26   8.014   4.838   0.341
  187   HG11  VAL  26          HG11      VAL  26   8.998   6.783  -1.763
  188   HG12  VAL  26          HG12      VAL  26   7.293   6.422  -1.497
  189   HG13  VAL  26          HG13      VAL  26   8.394   5.147  -2.019
  190   HG21  VAL  26          HG21      VAL  26  10.562   6.165   0.776
  191   HG22  VAL  26          HG22      VAL  26  10.546   5.326  -0.776
  192   HG23  VAL  26          HG23      VAL  26  10.206   4.440   0.709
  193    H    ASP  27           H        ASP  27   9.864   8.141   2.442
  194    HA   ASP  27           HA       ASP  27   9.871   6.100   4.580
  195    HB2  ASP  27           HB3      ASP  27  11.988   7.233   3.827
  196    HB3  ASP  27           HB2      ASP  27  11.345   8.748   4.459
  197    H    LEU  28           H        LEU  28   7.802   8.427   3.749
  198    HA   LEU  28           HA       LEU  28   7.423   9.633   6.426
  199    HB2  LEU  28           HB3      LEU  28   7.189  11.003   4.342
  200    HB3  LEU  28           HB2      LEU  28   5.812  10.007   3.884
  201    HG   LEU  28           HG       LEU  28   5.036  10.673   6.377
  202   HD11  LEU  28          HD11      LEU  28   7.255  12.072   6.439
  203   HD12  LEU  28          HD12      LEU  28   5.770  12.771   7.085
  204   HD13  LEU  28          HD13      LEU  28   6.333  13.227   5.476
  205   HD21  LEU  28          HD21      LEU  28   4.737  12.204   3.787
  206   HD22  LEU  28          HD22      LEU  28   3.842  12.645   5.241
  207   HD23  LEU  28          HD23      LEU  28   3.608  11.057   4.509
  208    H    ASP  29           H        ASP  29   5.787   9.003   7.809
  209    HA   ASP  29           HA       ASP  29   4.516   6.476   7.432
  210    HB2  ASP  29           HB3      ASP  29   3.788   8.800   9.249
  211    HB3  ASP  29           HB2      ASP  29   3.055   7.198   9.351
  212    H    LEU  30           H        LEU  30   2.867   6.026   6.051
  213    HA   LEU  30           HA       LEU  30   1.555   8.082   4.545
  214    HB2  LEU  30           HB3      LEU  30   0.088   6.226   3.738
  215    HB3  LEU  30           HB2      LEU  30   1.808   5.849   3.613
  216    HG   LEU  30           HG       LEU  30   0.650   5.105   6.204
  217   HD11  LEU  30          HD11      LEU  30  -0.478   4.023   3.626
  218   HD12  LEU  30          HD12      LEU  30  -1.336   4.504   5.089
  219   HD13  LEU  30          HD13      LEU  30  -0.397   3.012   5.067
  220   HD21  LEU  30          HD21      LEU  30   1.992   3.158   5.871
  221   HD22  LEU  30          HD22      LEU  30   2.913   4.486   5.166
  222   HD23  LEU  30          HD23      LEU  30   2.015   3.385   4.122
  223    H    VAL  31           H        VAL  31   1.202   7.549   7.713
  224    HA   VAL  31           HA       VAL  31  -1.562   7.235   8.201
  225    HB   VAL  31           HB       VAL  31   0.369   7.436   9.902
  226   HG11  VAL  31          HG11      VAL  31  -0.374  10.363   9.805
  227   HG12  VAL  31          HG12      VAL  31   1.018   9.724   8.931
  228   HG13  VAL  31          HG13      VAL  31   0.950   9.603  10.690
  229   HG21  VAL  31          HG21      VAL  31  -1.288   8.757  11.505
  230   HG22  VAL  31          HG22      VAL  31  -1.701   7.147  10.916
  231   HG23  VAL  31          HG23      VAL  31  -2.393   8.573  10.143
  232    H    ASP  32           H        ASP  32   0.278  10.102   7.247
  233    HA   ASP  32           HA       ASP  32  -1.786  12.036   7.540
  234    HB2  ASP  32           HB3      ASP  32   0.433  11.839   5.475
  235    HB3  ASP  32           HB2      ASP  32  -0.585  13.262   5.697
  236    H    ASN  33           H        ASN  33  -1.085   9.675   5.035
  237    HA   ASN  33           HA       ASN  33  -3.314  10.567   3.346
  238    HB2  ASN  33           HB3      ASN  33  -1.562   8.112   3.132
  239    HB3  ASN  33           HB2      ASN  33  -2.654   8.715   1.890
  240   HD21  ASN  33          HD21      ASN  33   0.496   8.546   2.323
  241   HD22  ASN  33          HD22      ASN  33   1.010  10.058   1.750
  242    H    GLY  34           H        GLY  34  -3.489   9.395   6.198
  243    HA2  GLY  34           HA3      GLY  34  -4.607   6.884   6.369
  244    HA3  GLY  34           HA2      GLY  34  -5.225   8.245   7.304
  245    H    VAL  35           H        VAL  35  -5.756   9.456   4.448
  246    HA   VAL  35           HA       VAL  35  -8.543   9.080   4.381
  247    HB   VAL  35           HB       VAL  35  -6.593   9.674   2.138
  248   HG11  VAL  35          HG11      VAL  35  -8.667  10.515   0.944
  249   HG12  VAL  35          HG12      VAL  35  -9.622   9.663   2.159
  250   HG13  VAL  35          HG13      VAL  35  -8.553   8.760   1.084
  251   HG21  VAL  35          HG21      VAL  35  -7.027  11.922   2.576
  252   HG22  VAL  35          HG22      VAL  35  -7.103  11.243   4.202
  253   HG23  VAL  35          HG23      VAL  35  -8.590  11.581   3.318
  254    H    ILE  36           H        ILE  36  -5.977   7.176   2.869
  255    HA   ILE  36           HA       ILE  36  -7.738   5.428   1.397
  256    HB   ILE  36           HB       ILE  36  -5.143   5.842   1.170
  257   HG12  ILE  36          HG13      ILE  36  -6.679   3.278   0.803
  258   HG13  ILE  36          HG12      ILE  36  -6.108   4.411  -0.424
  259   HG21  ILE  36          HG21      ILE  36  -5.101   3.364   2.886
  260   HG22  ILE  36          HG22      ILE  36  -4.917   4.962   3.608
  261   HG23  ILE  36          HG23      ILE  36  -3.752   4.397   2.410
  262   HD11  ILE  36          HD11      ILE  36  -3.729   3.735   0.484
  263   HD12  ILE  36          HD12      ILE  36  -4.565   2.678  -0.654
  264   HD13  ILE  36          HD13      ILE  36  -4.577   2.305   1.071
  265    H    ASP  37           H        ASP  37  -7.019   5.715   4.697
  266    HA   ASP  37           HA       ASP  37  -6.883   3.106   5.656
  267    HB2  ASP  37           HB3      ASP  37  -8.374   5.460   6.840
  268    HB3  ASP  37           HB2      ASP  37  -7.989   3.979   7.717
  269    H    SER  38           H        SER  38  -9.865   4.887   4.785
  270    HA   SER  38           HA       SER  38 -11.297   2.270   5.028
  271    HB2  SER  38          2HB       SER  38 -11.961   4.948   6.031
  272    HB3  SER  38          1HB       SER  38 -13.284   4.145   5.193
  273    H    LEU  39           H        LEU  39 -11.733   5.414   3.347
  274    HA   LEU  39           HA       LEU  39 -13.461   4.354   1.358
  275    HB2  LEU  39           HB3      LEU  39 -11.640   6.754   1.349
  276    HB3  LEU  39           HB2      LEU  39 -12.727   6.387   0.017
  277    HG   LEU  39           HG       LEU  39 -14.560   6.255   1.862
  278   HD11  LEU  39          HD11      LEU  39 -14.025   7.898   3.731
  279   HD12  LEU  39          HD12      LEU  39 -12.332   7.749   3.263
  280   HD13  LEU  39          HD13      LEU  39 -13.216   6.337   3.842
  281   HD21  LEU  39          HD21      LEU  39 -14.591   7.978   0.184
  282   HD22  LEU  39          HD22      LEU  39 -13.247   8.824   0.951
  283   HD23  LEU  39          HD23      LEU  39 -14.822   8.768   1.744
  284    H    GLY  40           H        GLY  40  -9.970   5.031   1.158
  285    HA2  GLY  40           HA3      GLY  40  -9.711   3.804  -1.443
  286    HA3  GLY  40           HA2      GLY  40  -8.382   4.223  -0.371
  287    H    LEU  41           H        LEU  41  -9.317   2.670   1.881
  288    HA   LEU  41           HA       LEU  41  -8.061   0.190   1.348
  289    HB2  LEU  41           HB3      LEU  41  -8.458   1.164   3.624
  290    HB3  LEU  41           HB2      LEU  41 -10.160   0.737   3.467
  291    HG   LEU  41           HG       LEU  41  -9.238  -1.664   2.950
  292   HD11  LEU  41          HD11      LEU  41  -6.885  -1.113   2.796
  293   HD12  LEU  41          HD12      LEU  41  -7.124  -2.088   4.245
  294   HD13  LEU  41          HD13      LEU  41  -6.921  -0.342   4.382
  295   HD21  LEU  41          HD21      LEU  41 -10.534  -1.439   4.891
  296   HD22  LEU  41          HD22      LEU  41  -9.427  -0.268   5.608
  297   HD23  LEU  41          HD23      LEU  41  -8.983  -1.973   5.539
  298    H    LEU  42           H        LEU  42 -11.528   1.028   1.368
  299    HA   LEU  42           HA       LEU  42 -12.455  -1.627   0.830
  300    HB2  LEU  42           HB3      LEU  42 -13.664   1.072   0.187
  301    HB3  LEU  42           HB2      LEU  42 -14.510  -0.450  -0.031
  302    HG   LEU  42           HG       LEU  42 -13.356   0.526   2.594
  303   HD11  LEU  42          HD11      LEU  42 -15.743   1.274   1.240
  304   HD12  LEU  42          HD12      LEU  42 -15.273   1.669   2.893
  305   HD13  LEU  42          HD13      LEU  42 -16.211   0.212   2.568
  306   HD21  LEU  42          HD21      LEU  42 -14.565  -1.991   1.630
  307   HD22  LEU  42          HD22      LEU  42 -15.197  -1.396   3.165
  308   HD23  LEU  42          HD23      LEU  42 -13.473  -1.716   2.984
  309    H    LYS  43           H        LYS  43 -11.606   1.083  -1.324
  310    HA   LYS  43           HA       LYS  43 -12.250  -0.285  -3.756
  311    HB2  LYS  43           HB3      LYS  43 -10.281   1.941  -3.201
  312    HB3  LYS  43           HB2      LYS  43 -10.772   1.425  -4.810
  313    HG2  LYS  43           HG3      LYS  43 -13.144   1.912  -4.199
  314    HG3  LYS  43           HG2      LYS  43 -12.579   2.544  -2.652
  315    HD2  LYS  43           HD3      LYS  43 -11.158   4.185  -3.890
  316    HD3  LYS  43           HD2      LYS  43 -11.862   3.605  -5.400
  317    HE2  LYS  43           HE3      LYS  43 -14.140   4.088  -4.103
  318    HE3  LYS  43           HE2      LYS  43 -13.116   5.220  -3.220
  319    HZ1  LYS  43           HZ1      LYS  43 -12.355   5.926  -5.557
  320    HZ2  LYS  43           HZ2      LYS  43 -13.862   6.468  -4.992
  321    HZ3  LYS  43           HZ3      LYS  43 -13.779   5.174  -6.090
  322    H    VAL  44           H        VAL  44  -9.310  -0.091  -1.802
  323    HA   VAL  44           HA       VAL  44  -7.574  -1.437  -3.640
  324    HB   VAL  44           HB       VAL  44  -7.494  -1.228  -0.617
  325   HG11  VAL  44          HG11      VAL  44  -5.080  -1.803  -0.897
  326   HG12  VAL  44          HG12      VAL  44  -5.392  -2.157  -2.594
  327   HG13  VAL  44          HG13      VAL  44  -6.149  -3.133  -1.336
  328   HG21  VAL  44          HG21      VAL  44  -7.297   0.801  -2.357
  329   HG22  VAL  44          HG22      VAL  44  -5.638   0.213  -2.458
  330   HG23  VAL  44          HG23      VAL  44  -6.299   0.724  -0.905
  331    H    ILE  45           H        ILE  45  -9.677  -2.638  -1.039
  332    HA   ILE  45           HA       ILE  45  -8.812  -5.331  -1.057
  333    HB   ILE  45           HB       ILE  45 -11.206  -3.848  -0.163
  334   HG12  ILE  45          HG13      ILE  45 -10.764  -4.996   1.886
  335   HG13  ILE  45          HG12      ILE  45  -9.806  -6.230   1.071
  336   HG21  ILE  45          HG21      ILE  45 -11.318  -6.786  -0.879
  337   HG22  ILE  45          HG22      ILE  45 -12.418  -5.507  -1.395
  338   HG23  ILE  45          HG23      ILE  45 -12.412  -6.041   0.284
  339   HD11  ILE  45          HD11      ILE  45  -8.728  -4.075   2.336
  340   HD12  ILE  45          HD12      ILE  45  -8.862  -3.450   0.695
  341   HD13  ILE  45          HD13      ILE  45  -7.940  -4.920   1.004
  342    H    ALA  46           H        ALA  46 -11.480  -3.835  -2.934
  343    HA   ALA  46           HA       ALA  46 -12.184  -6.207  -4.346
  344    HB1  ALA  46           HB1      ALA  46 -12.533  -3.272  -4.852
  345    HB2  ALA  46           HB2      ALA  46 -13.759  -4.514  -4.597
  346    HB3  ALA  46           HB3      ALA  46 -12.915  -4.413  -6.142
  347    H    TRP  47           H        TRP  47  -9.722  -3.744  -5.012
  348    HA   TRP  47           HA       TRP  47  -9.030  -4.865  -7.610
  349    HB2  TRP  47           HB3      TRP  47  -8.414  -2.632  -7.501
  350    HB3  TRP  47           HB2      TRP  47  -7.919  -2.744  -5.812
  351    HD1  TRP  47           HD1      TRP  47  -6.687  -3.416  -9.358
  352    HE1  TRP  47           HE1      TRP  47  -4.138  -3.801  -9.293
  353    HE3  TRP  47           HE3      TRP  47  -5.940  -3.555  -4.311
  354    HZ2  TRP  47           HZ2      TRP  47  -2.056  -4.119  -7.354
  355    HZ3  TRP  47           HZ3      TRP  47  -3.670  -3.901  -3.382
  356    HH2  TRP  47           HH2      TRP  47  -1.728  -4.184  -4.896
  357    H    LEU  48           H        LEU  48  -7.659  -5.048  -4.335
  358    HA   LEU  48           HA       LEU  48  -5.333  -6.513  -4.996
  359    HB2  LEU  48           HB3      LEU  48  -5.832  -5.412  -2.799
  360    HB3  LEU  48           HB2      LEU  48  -6.961  -6.716  -2.454
  361    HG   LEU  48           HG       LEU  48  -4.291  -7.618  -3.305
  362   HD11  LEU  48          HD11      LEU  48  -3.415  -5.847  -2.019
  363   HD12  LEU  48          HD12      LEU  48  -3.503  -7.178  -0.864
  364   HD13  LEU  48          HD13      LEU  48  -4.739  -5.919  -0.857
  365   HD21  LEU  48          HD21      LEU  48  -4.686  -9.158  -1.412
  366   HD22  LEU  48          HD22      LEU  48  -6.086  -9.100  -2.484
  367   HD23  LEU  48          HD23      LEU  48  -6.110  -8.221  -0.957
  368    H    GLU  49           H        GLU  49  -8.596  -7.698  -4.119
  369    HA   GLU  49           HA       GLU  49  -7.871 -10.474  -4.160
  370    HB2  GLU  49           HB3      GLU  49 -10.546  -9.163  -4.724
  371    HB3  GLU  49           HB2      GLU  49 -10.301 -10.869  -4.391
  372    HG2  GLU  49           HG3      GLU  49  -9.381 -10.302  -2.179
  373    HG3  GLU  49           HG2      GLU  49  -9.658  -8.600  -2.510
  374    H    ASP  50           H        ASP  50  -9.074  -8.251  -6.642
  375    HA   ASP  50           HA       ASP  50  -9.398 -10.219  -8.702
  376    HB2  ASP  50           HB3      ASP  50 -10.389  -7.910  -8.689
  377    HB3  ASP  50           HB2      ASP  50  -8.779  -7.287  -9.044
  378    H    ARG  51           H        ARG  51  -6.749  -7.918  -8.062
  379    HA   ARG  51           HA       ARG  51  -5.115  -8.746 -10.237
  380    HB2  ARG  51           HB3      ARG  51  -4.782  -6.660  -8.906
  381    HB3  ARG  51           HB2      ARG  51  -4.180  -7.648  -7.575
  382    HG2  ARG  51           HG3      ARG  51  -2.379  -8.511  -8.998
  383    HG3  ARG  51           HG2      ARG  51  -2.993  -7.581 -10.364
  384    HD2  ARG  51           HD3      ARG  51  -2.633  -5.491  -9.074
  385    HD3  ARG  51           HD2      ARG  51  -1.946  -6.442  -7.757
  386    HE   ARG  51           HE       ARG  51  -0.578  -5.706 -10.197
  387   HH11  ARG  51          HH11      ARG  51   1.492  -6.564 -10.492
  388   HH12  ARG  51          HH12      ARG  51   1.993  -7.926  -9.547
  389   HH21  ARG  51          HH21      ARG  51  -1.002  -8.164  -7.818
  390   HH22  ARG  51          HH22      ARG  51   0.581  -8.832  -8.033
  391    H    PHE  52           H        PHE  52  -5.223  -9.931  -6.867
  392    HA   PHE  52           HA       PHE  52  -3.210 -11.986  -7.609
  393    HB2  PHE  52           HB3      PHE  52  -4.331 -11.118  -4.935
  394    HB3  PHE  52           HB2      PHE  52  -3.161 -12.415  -5.149
  395    HD1  PHE  52           HD1      PHE  52  -3.696  -8.800  -5.171
  396    HD2  PHE  52           HD2      PHE  52  -0.879 -11.935  -5.999
  397    HE1  PHE  52           HE1      PHE  52  -1.859  -7.135  -5.220
  398    HE2  PHE  52           HE2      PHE  52   0.959 -10.271  -6.047
  399    HZ   PHE  52           HZ       PHE  52   0.469  -7.871  -5.657
  400    H    GLY  53           H        GLY  53  -6.582 -11.646  -7.341
  401    HA2  GLY  53           HA3      GLY  53  -8.284 -13.269  -7.498
  402    HA3  GLY  53           HA2      GLY  53  -7.020 -14.448  -7.850
  403    H    ILE  54           H        ILE  54  -7.177 -12.448  -4.936
  404    HA   ILE  54           HA       ILE  54  -7.350 -14.967  -3.345
  405    HB   ILE  54           HB       ILE  54  -6.448 -12.201  -2.491
  406   HG12  ILE  54          HG13      ILE  54  -4.741 -14.645  -3.026
  407   HG13  ILE  54          HG12      ILE  54  -5.016 -13.390  -4.236
  408   HG21  ILE  54          HG21      ILE  54  -7.153 -13.380  -0.558
  409   HG22  ILE  54          HG22      ILE  54  -5.410 -13.646  -0.622
  410   HG23  ILE  54          HG23      ILE  54  -6.517 -14.911  -1.160
  411   HD11  ILE  54          HD11      ILE  54  -2.920 -13.005  -2.952
  412   HD12  ILE  54          HD12      ILE  54  -3.871 -12.904  -1.470
  413   HD13  ILE  54          HD13      ILE  54  -4.084 -11.697  -2.738
  414    H    ALA  55           H        ALA  55  -8.926 -15.174  -1.739
  415    HA   ALA  55           HA       ALA  55 -11.394 -13.773  -2.080
  416    HB1  ALA  55           HB1      ALA  55 -10.293 -15.634   0.008
  417    HB2  ALA  55           HB2      ALA  55 -11.657 -15.873  -1.084
  418    HB3  ALA  55           HB3      ALA  55 -11.817 -14.799   0.306
  419    H    ALA  56           H        ALA  56 -12.388 -12.215  -0.643
  420    HA   ALA  56           HA       ALA  56 -10.691 -10.094   0.170
  421    HB1  ALA  56           HB1      ALA  56 -12.624  -9.000   0.766
  422    HB2  ALA  56           HB2      ALA  56 -13.299 -10.416   1.570
  423    HB3  ALA  56           HB3      ALA  56 -13.345 -10.296  -0.188
  424    H    ASP  57           H        ASP  57 -12.059 -12.780   2.059
  425    HA   ASP  57           HA       ASP  57 -11.578 -13.459   4.260
  426    HB2  ASP  57           HB3      ASP  57  -8.945 -12.164   3.517
  427    HB3  ASP  57           HB2      ASP  57  -9.190 -13.181   4.935
  428    H    ASP  58           H        ASP  58 -13.078 -11.189   4.176
  429    HA   ASP  58           HA       ASP  58 -12.295  -8.790   5.213
  430    HB2  ASP  58           HB3      ASP  58 -14.654 -10.467   6.062
  431    HB3  ASP  58           HB2      ASP  58 -14.456  -8.776   6.518
  432    H    VAL  59           H        VAL  59 -10.777  -8.435   6.738
  433    HA   VAL  59           HA       VAL  59 -11.100  -9.794   9.374
  434    HB   VAL  59           HB       VAL  59  -8.620  -9.898   9.559
  435   HG11  VAL  59          HG11      VAL  59  -8.909 -11.996   8.799
  436   HG12  VAL  59          HG12      VAL  59  -8.702 -11.407   7.148
  437   HG13  VAL  59          HG13      VAL  59 -10.313 -11.483   7.863
  438   HG21  VAL  59          HG21      VAL  59  -7.889  -9.711   6.826
  439   HG22  VAL  59          HG22      VAL  59  -7.393  -8.649   8.142
  440   HG23  VAL  59          HG23      VAL  59  -8.828  -8.263   7.193
  441    H    GLU  60           H        GLU  60 -10.132  -8.482  11.163
  442    HA   GLU  60           HA       GLU  60 -10.435  -5.593  10.547
  443    HB2  GLU  60           HB3      GLU  60 -10.269  -7.049  13.200
  444    HB3  GLU  60           HB2      GLU  60 -10.561  -5.325  13.006
  445    HG2  GLU  60           HG3      GLU  60 -12.590  -5.846  11.683
  446    HG3  GLU  60           HG2      GLU  60 -12.316  -7.559  11.979
  447    H    LEU  61           H        LEU  61  -8.602  -4.482  10.127
  448    HA   LEU  61           HA       LEU  61  -6.060  -5.399  11.388
  449    HB2  LEU  61           HB3      LEU  61  -6.423  -3.609   8.965
  450    HB3  LEU  61           HB2      LEU  61  -4.900  -4.248   9.576
  451    HG   LEU  61           HG       LEU  61  -5.575  -5.625   7.712
  452   HD11  LEU  61          HD11      LEU  61  -4.775  -6.656   9.984
  453   HD12  LEU  61          HD12      LEU  61  -5.391  -7.721   8.723
  454   HD13  LEU  61          HD13      LEU  61  -6.425  -7.270  10.078
  455   HD21  LEU  61          HD21      LEU  61  -7.720  -6.261   7.270
  456   HD22  LEU  61          HD22      LEU  61  -8.145  -4.957   8.378
  457   HD23  LEU  61          HD23      LEU  61  -8.065  -6.619   8.960
  458    H    SER  62           H        SER  62  -4.874  -3.926  12.619
  459    HA   SER  62           HA       SER  62  -6.334  -1.575  13.556
  460    HB2  SER  62           HB3      SER  62  -4.207  -3.228  14.529
  461    HB3  SER  62           HB2      SER  62  -3.645  -1.559  14.506
  462    HG   SER  62           HG       SER  62  -4.928  -2.429  16.404
  463    HA   PRO  63           HA       PRO  63  -4.574   1.401  10.797
  464    HB2  PRO  63           HB3      PRO  63  -4.242   3.538  12.535
  465    HB3  PRO  63           HB2      PRO  63  -5.769   3.104  11.747
  466    HG2  PRO  63           HG3      PRO  63  -4.839   2.556  14.512
  467    HG3  PRO  63           HG2      PRO  63  -6.466   2.927  13.914
  468    HD2  PRO  63           HD3      PRO  63  -5.698   0.403  14.592
  469    HD3  PRO  63           HD2      PRO  63  -6.896   0.730  13.321
  470    H    GLU  64           H        GLU  64  -2.937   0.743  13.830
  471    HA   GLU  64           HA       GLU  64  -0.507   2.140  13.352
  472    HB2  GLU  64           HB3      GLU  64  -1.162   1.103  15.527
  473    HB3  GLU  64           HB2      GLU  64  -0.841  -0.475  14.823
  474    HG2  GLU  64           HG3      GLU  64   1.486   0.246  14.348
  475    HG3  GLU  64           HG2      GLU  64   1.149   1.766  15.167
  476    H    HIS  65           H        HIS  65  -1.711  -0.907  12.100
  477    HA   HIS  65           HA       HIS  65   0.825  -1.934  11.205
  478    HB2  HIS  65           HB3      HIS  65  -1.143  -3.381  11.393
  479    HB3  HIS  65           HB2      HIS  65  -1.971  -2.444  10.149
  480    HD1  HIS  65           HD1      HIS  65   1.436  -4.174  10.424
  481    HD2  HIS  65           HD2      HIS  65  -1.683  -3.664   7.701
  482    HE1  HIS  65           HE1      HIS  65   2.091  -5.451   8.332
  483    HE2  HIS  65           HE2      HIS  65   0.199  -5.146   6.672
  484    H    PHE  66           H        PHE  66  -1.389   0.430   9.891
  485    HA   PHE  66           HA       PHE  66   0.105   0.433   7.318
  486    HB2  PHE  66           HB3      PHE  66  -2.399   1.943   8.113
  487    HB3  PHE  66           HB2      PHE  66  -1.719   1.832   6.490
  488    HD1  PHE  66           HD1      PHE  66  -1.841  -0.244   5.198
  489    HD2  PHE  66           HD2      PHE  66  -3.491   0.020   9.156
  490    HE1  PHE  66           HE1      PHE  66  -3.052  -2.379   4.838
  491    HE2  PHE  66           HE2      PHE  66  -4.704  -2.111   8.794
  492    HZ   PHE  66           HZ       PHE  66  -4.484  -3.311   6.637
  493    H    ARG  67           H        ARG  67   0.615   1.733  10.220
  494    HA   ARG  67           HA       ARG  67   0.766   4.529   9.900
  495    HB2  ARG  67           HB3      ARG  67   1.220   3.276  12.026
  496    HB3  ARG  67           HB2      ARG  67   2.770   2.777  11.360
  497    HG2  ARG  67           HG3      ARG  67   3.364   4.667  12.596
  498    HG3  ARG  67           HG2      ARG  67   3.128   5.347  10.990
  499    HD2  ARG  67           HD3      ARG  67   0.810   5.982  11.609
  500    HD3  ARG  67           HD2      ARG  67   1.080   5.334  13.225
  501    HE   ARG  67           HE       ARG  67   3.133   7.222  12.696
  502   HH11  ARG  67          HH11      ARG  67   2.943   9.312  13.536
  503   HH12  ARG  67          HH12      ARG  67   1.382   9.908  13.994
  504   HH21  ARG  67          HH21      ARG  67  -0.284   7.000  13.103
  505   HH22  ARG  67          HH22      ARG  67  -0.444   8.600  13.749
  506    H    SER  68           H        SER  68   3.066   2.011   8.898
  507    HA   SER  68           HA       SER  68   4.441   4.087   7.237
  508    HB2  SER  68           HB3      SER  68   5.735   1.751   8.670
  509    HB3  SER  68           HB2      SER  68   6.563   2.898   7.621
  510    HG   SER  68           HG       SER  68   6.824   3.866   9.501
  511    H    ILE  69           H        ILE  69   5.140   3.373   5.170
  512    HA   ILE  69           HA       ILE  69   3.531   1.423   3.879
  513    HB   ILE  69           HB       ILE  69   6.228   2.526   3.042
  514   HG12  ILE  69          HG13      ILE  69   3.440   3.453   2.335
  515   HG13  ILE  69          HG12      ILE  69   4.472   4.235   3.522
  516   HG21  ILE  69          HG21      ILE  69   5.606   0.558   1.759
  517   HG22  ILE  69          HG22      ILE  69   5.389   2.000   0.767
  518   HG23  ILE  69          HG23      ILE  69   3.992   1.215   1.497
  519   HD11  ILE  69          HD11      ILE  69   5.237   3.805   0.626
  520   HD12  ILE  69          HD12      ILE  69   6.152   4.712   1.831
  521   HD13  ILE  69          HD13      ILE  69   4.592   5.316   1.269
  522    H    ARG  70           H        ARG  70   6.769   1.215   5.308
  523    HA   ARG  70           HA       ARG  70   7.492  -1.337   4.283
  524    HB2  ARG  70           HB3      ARG  70   9.041   0.205   5.483
  525    HB3  ARG  70           HB2      ARG  70   8.206  -0.174   6.990
  526    HG2  ARG  70           HG3      ARG  70   8.784  -2.549   6.733
  527    HG3  ARG  70           HG2      ARG  70   9.591  -2.197   5.205
  528    HD2  ARG  70           HD3      ARG  70  11.294  -2.297   6.911
  529    HD3  ARG  70           HD2      ARG  70  11.092  -0.603   6.464
  530    HE   ARG  70           HE       ARG  70   9.352  -1.076   8.634
  531   HH11  ARG  70          HH11      ARG  70   9.999  -0.551  10.735
  532   HH12  ARG  70          HH12      ARG  70  11.686  -0.418  11.100
  533   HH21  ARG  70          HH21      ARG  70  12.714  -1.171   7.875
  534   HH22  ARG  70          HH22      ARG  70  13.224  -0.770   9.481
  535    H    SER  71           H        SER  71   5.592  -0.466   7.171
  536    HA   SER  71           HA       SER  71   5.430  -3.050   8.317
  537    HB2  SER  71           HB3      SER  71   3.267  -0.928   8.279
  538    HB3  SER  71           HB2      SER  71   3.430  -2.235   9.445
  539    HG   SER  71           HG       SER  71   5.286  -1.307  10.210
  540    H    ILE  72           H        ILE  72   3.444  -1.526   5.789
  541    HA   ILE  72           HA       ILE  72   1.571  -3.669   5.527
  542    HB   ILE  72           HB       ILE  72   2.512  -1.654   3.465
  543   HG12  ILE  72          HG13      ILE  72   0.104  -1.581   5.310
  544   HG13  ILE  72          HG12      ILE  72   1.600  -0.693   5.605
  545   HG21  ILE  72          HG21      ILE  72  -0.108  -2.259   2.940
  546   HG22  ILE  72          HG22      ILE  72   0.519  -3.816   3.474
  547   HG23  ILE  72          HG23      ILE  72   1.271  -2.984   2.114
  548   HD11  ILE  72          HD11      ILE  72  -0.417  -0.304   3.401
  549   HD12  ILE  72          HD12      ILE  72   1.248   0.245   3.202
  550   HD13  ILE  72          HD13      ILE  72   0.256   0.893   4.507
  551    H    ASP  73           H        ASP  73   4.702  -2.990   4.007
  552    HA   ASP  73           HA       ASP  73   4.683  -4.996   2.025
  553    HB2  ASP  73           HB3      ASP  73   6.969  -3.918   3.699
  554    HB3  ASP  73           HB2      ASP  73   7.182  -4.941   2.282
  555    H    ALA  74           H        ALA  74   5.457  -5.207   5.488
  556    HA   ALA  74           HA       ALA  74   6.413  -7.904   5.431
  557    HB1  ALA  74           HB1      ALA  74   5.217  -6.159   7.577
  558    HB2  ALA  74           HB2      ALA  74   6.876  -6.734   7.423
  559    HB3  ALA  74           HB3      ALA  74   5.598  -7.850   7.901
  560    H    PHE  75           H        PHE  75   3.158  -6.570   6.030
  561    HA   PHE  75           HA       PHE  75   1.905  -9.130   6.401
  562    HB2  PHE  75           HB3      PHE  75   0.869  -6.962   7.063
  563    HB3  PHE  75           HB2      PHE  75   0.654  -6.583   5.358
  564    HD1  PHE  75           HD1      PHE  75  -0.340  -8.881   8.085
  565    HD2  PHE  75           HD2      PHE  75  -1.060  -7.640   4.036
  566    HE1  PHE  75           HE1      PHE  75  -2.447 -10.191   8.057
  567    HE2  PHE  75           HE2      PHE  75  -3.166  -8.949   4.009
  568    HZ   PHE  75           HZ       PHE  75  -3.859 -10.226   6.020
  569    H    VAL  76           H        VAL  76   2.225  -7.017   3.551
  570    HA   VAL  76           HA       VAL  76   0.849  -8.743   1.740
  571    HB   VAL  76           HB       VAL  76   2.975  -6.629   1.316
  572   HG11  VAL  76          HG11      VAL  76   1.588  -8.475  -0.565
  573   HG12  VAL  76          HG12      VAL  76   3.195  -7.755  -0.674
  574   HG13  VAL  76          HG13      VAL  76   1.769  -6.795  -1.069
  575   HG21  VAL  76          HG21      VAL  76  -0.015  -6.619   0.797
  576   HG22  VAL  76          HG22      VAL  76   1.085  -5.251   0.633
  577   HG23  VAL  76          HG23      VAL  76   0.745  -5.924   2.228
  578    H    VAL  77           H        VAL  77   4.285  -8.480   2.650
  579    HA   VAL  77           HA       VAL  77   5.314 -10.311   0.743
  580    HB   VAL  77           HB       VAL  77   6.213  -9.586   3.539
  581   HG11  VAL  77          HG11      VAL  77   8.440 -10.543   2.554
  582   HG12  VAL  77          HG12      VAL  77   7.367 -11.446   1.485
  583   HG13  VAL  77          HG13      VAL  77   7.251 -11.653   3.233
  584   HG21  VAL  77          HG21      VAL  77   7.783  -8.877   1.133
  585   HG22  VAL  77          HG22      VAL  77   7.385  -7.897   2.545
  586   HG23  VAL  77          HG23      VAL  77   6.207  -8.093   1.247
  587    H    GLY  78           H        GLY  78   4.038 -10.849   4.026
  588    HA2  GLY  78           HA3      GLY  78   4.583 -13.650   4.124
  589    HA3  GLY  78           HA2      GLY  78   3.362 -12.823   5.090
  590    H    ALA  79           H        ALA  79   1.789 -11.846   2.860
  591    HA   ALA  79           HA       ALA  79   0.375 -14.355   2.260
  592    HB1  ALA  79           HB1      ALA  79  -1.347 -12.813   1.280
  593    HB2  ALA  79           HB2      ALA  79  -0.300 -11.457   1.700
  594    HB3  ALA  79           HB3      ALA  79  -0.978 -12.475   2.972
  595    H    THR  80           H        THR  80   1.711 -11.633   0.378
  596    HA   THR  80           HA       THR  80   2.045 -13.536  -1.903
  597    HB   THR  80           HB       THR  80   1.287 -11.899  -3.464
  598    HG1  THR  80           HG1      THR  80   2.140 -10.226  -1.603
  599   HG21  THR  80          HG21      THR  80  -0.543 -11.594  -1.073
  600   HG22  THR  80          HG22      THR  80  -0.485 -13.044  -2.075
  601   HG23  THR  80          HG23      THR  80  -0.987 -11.506  -2.777
  602    H    THR  81           H        THR  81   3.844 -12.962  -3.327
  603    HA   THR  81           HA       THR  81   5.713 -10.936  -2.223
  604    HB   THR  81           HB       THR  81   6.566 -12.898  -1.212
  605    HG1  THR  81           HG1      THR  81   8.130 -13.266  -3.401
  606   HG21  THR  81          HG21      THR  81   5.639 -14.164  -3.748
  607   HG22  THR  81          HG22      THR  81   5.483 -14.731  -2.086
  608   HG23  THR  81          HG23      THR  81   7.022 -14.895  -2.932
  609    HA   PRO  82           HA       PRO  82   5.285 -10.582  -6.809
  610    HB2  PRO  82           HB3      PRO  82   6.071  -7.796  -6.281
  611    HB3  PRO  82           HB2      PRO  82   4.634  -8.417  -7.109
  612    HG2  PRO  82           HG3      PRO  82   4.549  -7.275  -4.664
  613    HG3  PRO  82           HG2      PRO  82   3.413  -8.526  -5.194
  614    HD2  PRO  82           HD3      PRO  82   5.744  -8.765  -3.337
  615    HD3  PRO  82           HD2      PRO  82   4.194  -9.636  -3.327
  616    HA   PRO  83           HA       PRO  83   9.502 -10.490  -8.154
  617    HB2  PRO  83           HB3      PRO  83   9.275  -7.953  -9.654
  618    HB3  PRO  83           HB2      PRO  83   9.627  -9.584 -10.250
  619    HG2  PRO  83           HG3      PRO  83   7.278  -8.352 -10.689
  620    HG3  PRO  83           HG2      PRO  83   7.426 -10.108 -10.518
  621    HD2  PRO  83           HD3      PRO  83   6.374  -8.107  -8.563
  622    HD3  PRO  83           HD2      PRO  83   5.893  -9.798  -8.825
  623    H    VAL  84           H        VAL  84  11.572  -9.599  -7.625
  624    HA   VAL  84           HA       VAL  84  11.436  -7.265  -5.768
  625    HB   VAL  84           HB       VAL  84  13.615  -9.352  -6.062
  626   HG11  VAL  84          HG11      VAL  84  14.793  -7.863  -4.843
  627   HG12  VAL  84          HG12      VAL  84  13.668  -8.182  -3.523
  628   HG13  VAL  84          HG13      VAL  84  13.379  -6.832  -4.619
  629   HG21  VAL  84          HG21      VAL  84  11.125  -9.194  -4.401
  630   HG22  VAL  84          HG22      VAL  84  12.572  -9.899  -3.678
  631   HG23  VAL  84          HG23      VAL  84  11.887 -10.601  -5.144
  632    H    GLU  85           H        GLU  85  12.398  -5.391  -6.374
  633    HA   GLU  85           HA       GLU  85  14.537  -5.475  -8.433
  634    HB2  GLU  85           HB3      GLU  85  12.126  -3.635  -8.507
  635    HB3  GLU  85           HB2      GLU  85  13.501  -3.563  -9.611
  636    HG2  GLU  85           HG3      GLU  85  13.013  -5.896 -10.327
  637    HG3  GLU  85           HG2      GLU  85  11.593  -5.898  -9.280
  638    H    ALA  86           H        ALA  86  15.911  -3.543  -8.368
  639    HA   ALA  86           HA       ALA  86  16.440  -2.620  -5.712
  640    HB1  ALA  86           HB1      ALA  86  18.341  -2.313  -6.941
  641    HB2  ALA  86           HB2      ALA  86  17.638  -0.728  -7.267
  642    HB3  ALA  86           HB3      ALA  86  17.446  -2.035  -8.436
  643    H    LYS  87           H        LYS  87  15.809  -0.730  -4.655
  644    HA   LYS  87           HA       LYS  87  13.485   0.664  -5.823
  645    HB2  LYS  87           HB3      LYS  87  13.587  -0.114  -3.400
  646    HB3  LYS  87           HB2      LYS  87  14.768   1.169  -3.129
  647    HG2  LYS  87           HG3      LYS  87  13.136   2.840  -3.944
  648    HG3  LYS  87           HG2      LYS  87  11.952   1.556  -4.186
  649    HD2  LYS  87           HD3      LYS  87  12.188   0.994  -1.734
  650    HD3  LYS  87           HD2      LYS  87  13.165   2.452  -1.560
  651    HE2  LYS  87           HE3      LYS  87  10.265   2.264  -2.402
  652    HE3  LYS  87           HE2      LYS  87  10.925   3.080  -0.985
  653    HZ1  LYS  87           HZ1      LYS  87  10.614   4.801  -2.462
  654    HZ2  LYS  87           HZ2      LYS  87  11.060   3.878  -3.817
  655    HZ3  LYS  87           HZ3      LYS  87  12.245   4.419  -2.726
  656    H    LEU  88           H        LEU  88  13.473   2.856  -6.361
  657    HA   LEU  88           HA       LEU  88  15.853   4.026  -7.343
  658    HB2  LEU  88           HB3      LEU  88  13.335   5.462  -6.448
  659    HB3  LEU  88           HB2      LEU  88  14.554   6.092  -7.558
  660    HG   LEU  88           HG       LEU  88  12.808   3.654  -8.014
  661   HD11  LEU  88          HD11      LEU  88  12.307   6.390  -8.420
  662   HD12  LEU  88          HD12      LEU  88  11.399   5.039  -9.100
  663   HD13  LEU  88          HD13      LEU  88  12.728   5.757 -10.011
  664   HD21  LEU  88          HD21      LEU  88  15.200   4.780  -9.435
  665   HD22  LEU  88          HD22      LEU  88  13.923   4.024 -10.387
  666   HD23  LEU  88          HD23      LEU  88  14.766   3.096  -9.147
  667    H    GLN  89           H        GLN  89  14.361   4.234  -4.151
  668    HA   GLN  89           HA       GLN  89  15.123   5.244  -2.172
  669    HB2  GLN  89           HB3      GLN  89  17.770   4.826  -3.598
  670    HB3  GLN  89           HB2      GLN  89  17.617   5.298  -1.907
  671    HG2  GLN  89           HG3      GLN  89  16.380   2.792  -3.080
  672    HG3  GLN  89           HG2      GLN  89  17.930   2.825  -2.238
  673   HE21  GLN  89          HE21      GLN  89  15.184   1.613  -1.480
  674   HE22  GLN  89          HE22      GLN  89  14.898   2.210   0.083
  675    H3   7V9 101          1H1       NIA 101  -9.396   3.088   9.288
  676    H4   7V9 101          2H1       NIA 101  -9.382   1.983   7.916
  677    H5   7V9 101          1HE1      NIA 101  -8.233   0.073   8.301
  678    H6   7V9 101          2HE1      NIA 101  -9.847  -0.613   8.491
  679    H7   7V9 101          3HE1      NIA 101  -8.591  -0.967   9.679
  680    H8   7V9 101          2HE2      NIA 101 -10.286   0.080  11.563
  681    H9   7V9 101          3HE2      NIA 101 -11.311   0.039  10.128
  682    H10  7V9 101          1HE2      NIA 101 -11.119   1.541  11.031
  683    H11  7V9 101          3H        NIA 101  -7.881   0.581  11.266
  684    H12  7V9 101          3HO       NIA 101  -7.966   2.890  12.000
  685    H13  7V9 101          5H        NIA 101  -6.365   0.278   9.429
  686    H14  7V9 101          1H6       NIA 101  -6.039   2.717   7.741
  687    H15  7V9 101          2H6       NIA 101  -4.652   1.705   8.122
  688    H16  7V9 101          1H7       NIA 101  -7.085   0.963   6.483
  689    H17  7V9 101          2H7       NIA 101  -5.927  -0.231   7.069
  690    H18  7V9 101          9H        NIA 101  -4.782  -0.794   5.228
  691    H19  7V9 101          1H10      NIA 101  -4.769   1.109   3.024
  692    H20  7V9 101          2H10      NIA 101  -3.145   0.699   3.572
  693    H21  7V9 101          1H11      NIA 101  -4.768  -0.778   1.794
  694    H22  7V9 101          2H11      NIA 101  -4.730  -1.702   3.296
  695    H25  7V9 101          5H1       NIA 101   0.055  -1.607   0.752
  696    H26  7V9 101          7H1       NIA 101  -0.950  -2.806  -3.136
  697    H27  7V9 101          8H1       NIA 101  -3.172  -1.716  -2.932
  698    H28  7V9 101          9H1       NIA 101  -3.491  -0.083  -1.051
  Start of MODEL   14
    1    H1   MET   1           H1       MET   1  11.676  -6.418   4.629
    2    H2   MET   1           H2       MET   1  13.339  -6.339   4.968
    3    H3   MET   1           H3       MET   1  12.772  -7.330   3.709
    4    HA   MET   1           HA       MET   1  11.803  -4.851   3.082
    5    HB2  MET   1           HB3      MET   1  14.659  -4.718   4.098
    6    HB3  MET   1           HB2      MET   1  13.885  -3.468   3.122
    7    HG2  MET   1           HG3      MET   1  12.113  -3.258   4.866
    8    HG3  MET   1           HG2      MET   1  12.992  -4.422   5.858
    9    HE1  MET   1           HE1      MET   1  12.798  -2.902   7.628
   10    HE2  MET   1           HE2      MET   1  12.394  -1.301   7.013
   11    HE3  MET   1           HE3      MET   1  13.855  -1.526   7.974
   12    H    GLN   2           H        GLN   2  11.992  -7.267   1.844
   13    HA   GLN   2           HA       GLN   2  14.286  -7.735   0.235
   14    HB2  GLN   2           HB3      GLN   2  11.363  -8.278  -0.373
   15    HB3  GLN   2           HB2      GLN   2  12.721  -8.958  -1.270
   16    HG2  GLN   2           HG3      GLN   2  13.550 -10.043   0.777
   17    HG3  GLN   2           HG2      GLN   2  12.217  -9.344   1.696
   18   HE21  GLN   2          HE21      GLN   2  12.513 -12.168   1.555
   19   HE22  GLN   2          HE22      GLN   2  11.238 -12.808   0.636
   20    H    HIS   3           H        HIS   3  11.521  -5.580  -0.221
   21    HA   HIS   3           HA       HIS   3  13.059  -4.090  -2.249
   22    HB2  HIS   3           HB3      HIS   3  10.287  -5.158  -2.872
   23    HB3  HIS   3           HB2      HIS   3  11.309  -4.191  -3.936
   24    HD1  HIS   3           HD1      HIS   3  13.731  -5.377  -4.512
   25    HD2  HIS   3           HD2      HIS   3  10.674  -7.882  -3.177
   26    HE1  HIS   3           HE1      HIS   3  14.401  -7.734  -5.159
   27    HE2  HIS   3           HE2      HIS   3  12.548  -9.267  -4.351
   28    H    ALA   4           H        ALA   4  12.632  -3.056   0.142
   29    HA   ALA   4           HA       ALA   4  10.113  -1.857   0.686
   30    HB1  ALA   4           HB1      ALA   4  12.351  -1.998   2.097
   31    HB2  ALA   4           HB2      ALA   4  11.207  -0.682   2.361
   32    HB3  ALA   4           HB3      ALA   4  12.646  -0.415   1.377
   33    H    SER   5           H        SER   5  12.803  -0.781  -1.359
   34    HA   SER   5           HA       SER   5  11.919   1.884  -1.790
   35    HB2  SER   5           HB3      SER   5  13.302   0.076  -3.792
   36    HB3  SER   5           HB2      SER   5  13.276   1.837  -3.817
   37    HG   SER   5           HG       SER   5  15.084   0.438  -2.717
   38    H    VAL   6           H        VAL   6  11.044  -1.139  -3.435
   39    HA   VAL   6           HA       VAL   6   9.369   0.099  -5.420
   40    HB   VAL   6           HB       VAL   6   9.375  -2.692  -4.260
   41   HG11  VAL   6          HG11      VAL   6   7.776  -1.460  -6.509
   42   HG12  VAL   6          HG12      VAL   6   7.174  -2.370  -5.123
   43   HG13  VAL   6          HG13      VAL   6   8.064  -3.196  -6.402
   44   HG21  VAL   6          HG21      VAL   6  10.551  -3.283  -6.287
   45   HG22  VAL   6          HG22      VAL   6  11.382  -1.898  -5.577
   46   HG23  VAL   6          HG23      VAL   6  10.307  -1.670  -6.956
   47    H    ILE   7           H        ILE   7   8.794  -1.136  -2.167
   48    HA   ILE   7           HA       ILE   7   5.963  -0.982  -2.155
   49    HB   ILE   7           HB       ILE   7   7.915  -0.527   0.114
   50   HG12  ILE   7          HG13      ILE   7   6.418  -3.021  -0.753
   51   HG13  ILE   7          HG12      ILE   7   8.115  -2.706  -1.110
   52   HG21  ILE   7          HG21      ILE   7   5.687   0.297   0.690
   53   HG22  ILE   7          HG22      ILE   7   5.979  -1.225   1.532
   54   HG23  ILE   7          HG23      ILE   7   4.954  -1.192   0.097
   55   HD11  ILE   7          HD11      ILE   7   8.495  -3.796   0.847
   56   HD12  ILE   7          HD12      ILE   7   6.848  -3.535   1.422
   57   HD13  ILE   7          HD13      ILE   7   8.052  -2.257   1.586
   58    H    ALA   8           H        ALA   8   8.409   1.511  -1.464
   59    HA   ALA   8           HA       ALA   8   6.565   3.514  -0.587
   60    HB1  ALA   8           HB1      ALA   8   9.377   3.406  -1.429
   61    HB2  ALA   8           HB2      ALA   8   8.623   4.369  -0.158
   62    HB3  ALA   8           HB3      ALA   8   8.584   4.930  -1.830
   63    H    GLN   9           H        GLN   9   7.987   2.909  -3.803
   64    HA   GLN   9           HA       GLN   9   6.378   4.934  -5.078
   65    HB2  GLN   9           HB3      GLN   9   7.529   4.414  -6.983
   66    HB3  GLN   9           HB2      GLN   9   8.603   3.618  -5.837
   67    HG2  GLN   9           HG3      GLN   9   8.219   1.969  -7.469
   68    HG3  GLN   9           HG2      GLN   9   7.093   1.545  -6.186
   69   HE21  GLN   9          HE21      GLN   9   5.281   0.748  -7.316
   70   HE22  GLN   9          HE22      GLN   9   4.481   1.594  -8.552
   71    H    PHE  10           H        PHE  10   5.965   1.493  -4.462
   72    HA   PHE  10           HA       PHE  10   3.705   1.112  -6.190
   73    HB2  PHE  10           HB3      PHE  10   5.077  -0.720  -5.156
   74    HB3  PHE  10           HB2      PHE  10   4.327  -0.341  -3.607
   75    HD1  PHE  10           HD1      PHE  10   2.085  -1.020  -3.100
   76    HD2  PHE  10           HD2      PHE  10   3.671  -1.530  -7.058
   77    HE1  PHE  10           HE1      PHE  10   0.140  -2.439  -3.697
   78    HE2  PHE  10           HE2      PHE  10   1.727  -2.949  -7.655
   79    HZ   PHE  10           HZ       PHE  10  -0.037  -3.402  -5.974
   80    H    VAL  11           H        VAL  11   3.872   1.714  -2.670
   81    HA   VAL  11           HA       VAL  11   1.010   1.991  -2.405
   82    HB   VAL  11           HB       VAL  11   2.710   1.452  -0.559
   83   HG11  VAL  11          HG11      VAL  11   3.838   3.251   0.507
   84   HG12  VAL  11          HG12      VAL  11   2.905   4.462  -0.373
   85   HG13  VAL  11          HG13      VAL  11   4.119   3.500  -1.217
   86   HG21  VAL  11          HG21      VAL  11   0.606   1.730   0.335
   87   HG22  VAL  11          HG22      VAL  11   0.375   3.301  -0.433
   88   HG23  VAL  11          HG23      VAL  11   1.364   3.168   1.021
   89    H    VAL  12           H        VAL  12   3.667   4.303  -2.843
   90    HA   VAL  12           HA       VAL  12   2.097   6.659  -2.456
   91    HB   VAL  12           HB       VAL  12   4.617   6.222  -4.060
   92   HG11  VAL  12          HG11      VAL  12   4.262   8.307  -4.841
   93   HG12  VAL  12          HG12      VAL  12   4.494   8.871  -3.189
   94   HG13  VAL  12          HG13      VAL  12   2.868   8.536  -3.786
   95   HG21  VAL  12          HG21      VAL  12   5.784   6.672  -2.116
   96   HG22  VAL  12          HG22      VAL  12   4.354   5.914  -1.414
   97   HG23  VAL  12          HG23      VAL  12   4.492   7.672  -1.452
   98    H    GLU  13           H        GLU  13   2.857   4.816  -5.416
   99    HA   GLU  13           HA       GLU  13   1.714   6.583  -7.290
  100    HB2  GLU  13           HB3      GLU  13   2.042   3.606  -7.223
  101    HB3  GLU  13           HB2      GLU  13   1.163   4.366  -8.543
  102    HG2  GLU  13           HG3      GLU  13   3.106   5.824  -8.993
  103    HG3  GLU  13           HG2      GLU  13   3.990   5.025  -7.700
  104    H    GLU  14           H        GLU  14   0.178   4.458  -4.989
  105    HA   GLU  14           HA       GLU  14  -2.418   4.407  -6.209
  106    HB2  GLU  14           HB3      GLU  14  -1.670   2.903  -4.338
  107    HB3  GLU  14           HB2      GLU  14  -1.772   4.285  -3.251
  108    HG2  GLU  14           HG3      GLU  14  -4.163   4.560  -3.854
  109    HG3  GLU  14           HG2      GLU  14  -4.050   3.130  -4.880
  110    H    PHE  15           H        PHE  15  -0.716   6.792  -4.285
  111    HA   PHE  15           HA       PHE  15  -2.908   8.705  -4.811
  112    HB2  PHE  15           HB3      PHE  15  -3.175   9.365  -2.511
  113    HB3  PHE  15           HB2      PHE  15  -3.363   7.613  -2.572
  114    HD1  PHE  15           HD1      PHE  15  -1.367   6.145  -2.000
  115    HD2  PHE  15           HD2      PHE  15  -1.450  10.367  -1.218
  116    HE1  PHE  15           HE1      PHE  15   0.497   5.880  -0.388
  117    HE2  PHE  15           HE2      PHE  15   0.417  10.104   0.393
  118    HZ   PHE  15           HZ       PHE  15   1.391   7.861   0.809
  119    H    LEU  16           H        LEU  16  -0.276   8.584  -5.912
  120    HA   LEU  16           HA       LEU  16   1.407  10.430  -4.424
  121    HB2  LEU  16           HB3      LEU  16   3.061   9.912  -5.900
  122    HB3  LEU  16           HB2      LEU  16   2.031   8.532  -6.203
  123    HG   LEU  16           HG       LEU  16   2.077  11.090  -7.843
  124   HD11  LEU  16          HD11      LEU  16   2.735   8.912  -9.435
  125   HD12  LEU  16          HD12      LEU  16   3.596   8.604  -7.927
  126   HD13  LEU  16          HD13      LEU  16   3.861  10.114  -8.801
  127   HD21  LEU  16          HD21      LEU  16   0.233  10.337  -8.947
  128   HD22  LEU  16          HD22      LEU  16  -0.027   9.301  -7.548
  129   HD23  LEU  16          HD23      LEU  16   0.822   8.676  -8.957
  130    HA   PRO  17           HA       PRO  17  -0.559  14.025  -6.245
  131    HB2  PRO  17           HB3      PRO  17   1.081  15.937  -5.209
  132    HB3  PRO  17           HB2      PRO  17  -0.113  15.078  -4.221
  133    HG2  PRO  17           HG3      PRO  17   2.821  14.643  -4.443
  134    HG3  PRO  17           HG2      PRO  17   1.777  14.597  -3.014
  135    HD2  PRO  17           HD3      PRO  17   2.652  12.347  -4.339
  136    HD3  PRO  17           HD2      PRO  17   1.161  12.417  -3.377
  137    H    ASP  18           H        ASP  18   1.187  16.310  -6.911
  138    HA   ASP  18           HA       ASP  18   2.138  15.365  -9.496
  139    HB2  ASP  18           HB3      ASP  18   2.234  18.065  -8.144
  140    HB3  ASP  18           HB2      ASP  18   2.795  17.771  -9.785
  141    H    VAL  19           H        VAL  19   3.450  14.682  -6.742
  142    HA   VAL  19           HA       VAL  19   6.227  15.523  -7.474
  143    HB   VAL  19           HB       VAL  19   5.180  14.609  -4.778
  144   HG11  VAL  19          HG11      VAL  19   7.432  14.229  -4.573
  145   HG12  VAL  19          HG12      VAL  19   7.457  15.967  -4.277
  146   HG13  VAL  19          HG13      VAL  19   7.846  15.340  -5.879
  147   HG21  VAL  19          HG21      VAL  19   4.195  16.705  -4.993
  148   HG22  VAL  19          HG22      VAL  19   5.457  17.302  -6.070
  149   HG23  VAL  19          HG23      VAL  19   5.770  17.157  -4.341
  150    H    ALA  20           H        ALA  20   7.729  13.916  -7.859
  151    HA   ALA  20           HA       ALA  20   6.816  11.251  -8.373
  152    HB1  ALA  20           HB1      ALA  20   9.306  12.751  -8.611
  153    HB2  ALA  20           HB2      ALA  20   8.693  11.436  -9.613
  154    HB3  ALA  20           HB3      ALA  20   9.581  11.077  -8.132
  155    HA   PRO  21           HA       PRO  21   6.911   9.398  -4.305
  156    HB2  PRO  21           HB3      PRO  21   8.310   7.090  -5.525
  157    HB3  PRO  21           HB2      PRO  21   6.781   7.138  -4.633
  158    HG2  PRO  21           HG3      PRO  21   6.983   6.830  -7.333
  159    HG3  PRO  21           HG2      PRO  21   5.563   7.471  -6.500
  160    HD2  PRO  21           HD3      PRO  21   7.484   8.879  -8.211
  161    HD3  PRO  21           HD2      PRO  21   5.874   9.388  -7.659
  162    H    ALA  22           H        ALA  22   9.807   9.334  -6.323
  163    HA   ALA  22           HA       ALA  22  11.681   8.680  -4.253
  164    HB1  ALA  22           HB1      ALA  22  13.177  10.156  -5.961
  165    HB2  ALA  22           HB2      ALA  22  11.799   9.799  -7.003
  166    HB3  ALA  22           HB3      ALA  22  12.726   8.481  -6.283
  167    H    ASP  23           H        ASP  23  10.038  11.621  -5.116
  168    HA   ASP  23           HA       ASP  23  11.838  13.221  -3.378
  169    HB2  ASP  23           HB3      ASP  23   9.598  14.011  -5.259
  170    HB3  ASP  23           HB2      ASP  23  10.482  15.156  -4.250
  171    H    VAL  24           H        VAL  24   9.359  11.235  -2.850
  172    HA   VAL  24           HA       VAL  24   7.936  13.049  -0.956
  173    HB   VAL  24           HB       VAL  24   7.200  10.250  -1.873
  174   HG11  VAL  24          HG11      VAL  24   5.662  12.352  -0.315
  175   HG12  VAL  24          HG12      VAL  24   6.304  10.848   0.343
  176   HG13  VAL  24          HG13      VAL  24   5.011  10.805  -0.856
  177   HG21  VAL  24          HG21      VAL  24   7.168  12.184  -3.592
  178   HG22  VAL  24          HG22      VAL  24   5.833  12.831  -2.641
  179   HG23  VAL  24          HG23      VAL  24   5.688  11.246  -3.401
  180    H    ASP  25           H        ASP  25   8.165  12.730   1.231
  181    HA   ASP  25           HA       ASP  25  10.284  10.990   2.158
  182    HB2  ASP  25           HB3      ASP  25   8.183  12.580   3.661
  183    HB3  ASP  25           HB2      ASP  25   9.534  11.745   4.426
  184    H    VAL  26           H        VAL  26   9.541   8.885   1.454
  185    HA   VAL  26           HA       VAL  26   7.012   7.765   2.197
  186    HB   VAL  26           HB       VAL  26   8.025   5.603   1.675
  187   HG11  VAL  26          HG11      VAL  26   7.631   6.443  -0.403
  188   HG12  VAL  26          HG12      VAL  26   9.386   6.601  -0.486
  189   HG13  VAL  26          HG13      VAL  26   8.396   7.986  -0.027
  190   HG21  VAL  26          HG21      VAL  26  10.131   5.428   2.573
  191   HG22  VAL  26          HG22      VAL  26  10.504   7.129   2.288
  192   HG23  VAL  26          HG23      VAL  26  10.611   5.969   0.964
  193    H    ASP  27           H        ASP  27   9.403   8.831   4.212
  194    HA   ASP  27           HA       ASP  27   9.136   6.662   6.196
  195    HB2  ASP  27           HB3      ASP  27  10.758   7.940   7.492
  196    HB3  ASP  27           HB2      ASP  27  11.332   7.795   5.836
  197    H    LEU  28           H        LEU  28   7.134   8.945   5.207
  198    HA   LEU  28           HA       LEU  28   6.388  10.045   7.853
  199    HB2  LEU  28           HB3      LEU  28   6.403  11.497   5.805
  200    HB3  LEU  28           HB2      LEU  28   5.104  10.509   5.149
  201    HG   LEU  28           HG       LEU  28   3.831  11.029   7.324
  202   HD11  LEU  28          HD11      LEU  28   6.292  12.318   7.911
  203   HD12  LEU  28          HD12      LEU  28   4.817  12.325   8.876
  204   HD13  LEU  28          HD13      LEU  28   5.094  13.591   7.682
  205   HD21  LEU  28          HD21      LEU  28   4.424  12.892   5.062
  206   HD22  LEU  28          HD22      LEU  28   3.458  13.504   6.405
  207   HD23  LEU  28          HD23      LEU  28   2.909  12.099   5.493
  208    H    ASP  29           H        ASP  29   4.614   9.346   8.982
  209    HA   ASP  29           HA       ASP  29   3.472   6.807   8.386
  210    HB2  ASP  29           HB3      ASP  29   2.450   9.050  10.156
  211    HB3  ASP  29           HB2      ASP  29   1.787   7.417  10.137
  212    H    LEU  30           H        LEU  30   1.996   6.324   6.840
  213    HA   LEU  30           HA       LEU  30   0.796   8.355   5.211
  214    HB2  LEU  30           HB3      LEU  30  -0.039   5.448   5.477
  215    HB3  LEU  30           HB2      LEU  30  -0.400   6.523   4.125
  216    HG   LEU  30           HG       LEU  30   2.354   5.612   5.003
  217   HD11  LEU  30          HD11      LEU  30   1.578   3.821   3.772
  218   HD12  LEU  30          HD12      LEU  30   2.147   4.841   2.450
  219   HD13  LEU  30          HD13      LEU  30   0.434   4.808   2.863
  220   HD21  LEU  30          HD21      LEU  30   2.790   7.735   4.160
  221   HD22  LEU  30          HD22      LEU  30   1.385   7.711   3.094
  222   HD23  LEU  30          HD23      LEU  30   2.829   6.790   2.671
  223    H    VAL  31           H        VAL  31   0.050   7.535   8.332
  224    HA   VAL  31           HA       VAL  31  -2.748   7.264   8.422
  225    HB   VAL  31           HB       VAL  31  -0.920   8.824  10.271
  226   HG11  VAL  31          HG11      VAL  31  -2.945   8.227  11.868
  227   HG12  VAL  31          HG12      VAL  31  -3.854   8.222  10.358
  228   HG13  VAL  31          HG13      VAL  31  -2.996   9.676  10.865
  229   HG21  VAL  31          HG21      VAL  31  -1.521   6.000   9.863
  230   HG22  VAL  31          HG22      VAL  31  -1.872   6.511  11.514
  231   HG23  VAL  31          HG23      VAL  31  -0.261   6.748  10.842
  232    H    ASP  32           H        ASP  32  -0.792  10.209   8.122
  233    HA   ASP  32           HA       ASP  32  -2.899  12.107   8.216
  234    HB2  ASP  32           HB3      ASP  32  -0.342  12.116   6.575
  235    HB3  ASP  32           HB2      ASP  32  -1.404  13.513   6.754
  236    H    ASN  33           H        ASN  33  -1.730  10.021   5.643
  237    HA   ASN  33           HA       ASN  33  -3.663  11.090   3.703
  238    HB2  ASN  33           HB3      ASN  33  -1.781   8.727   3.517
  239    HB3  ASN  33           HB2      ASN  33  -2.704   9.409   2.182
  240   HD21  ASN  33          HD21      ASN  33   0.250   9.649   3.912
  241   HD22  ASN  33          HD22      ASN  33   0.795  11.104   3.229
  242    H    GLY  34           H        GLY  34  -4.329   9.629   6.319
  243    HA2  GLY  34           HA3      GLY  34  -5.319   7.078   6.052
  244    HA3  GLY  34           HA2      GLY  34  -6.192   8.322   6.947
  245    H    VAL  35           H        VAL  35  -6.260   9.790   4.175
  246    HA   VAL  35           HA       VAL  35  -8.937   9.181   3.504
  247    HB   VAL  35           HB       VAL  35  -6.677  10.258   1.793
  248   HG11  VAL  35          HG11      VAL  35  -9.033  11.097   0.635
  249   HG12  VAL  35          HG12      VAL  35  -9.410   9.434   1.085
  250   HG13  VAL  35          HG13      VAL  35  -8.031   9.774   0.039
  251   HG21  VAL  35          HG21      VAL  35  -8.000  11.408   3.896
  252   HG22  VAL  35          HG22      VAL  35  -9.006  11.918   2.540
  253   HG23  VAL  35          HG23      VAL  35  -7.288  12.316   2.563
  254    H    ILE  36           H        ILE  36  -5.903   7.791   2.351
  255    HA   ILE  36           HA       ILE  36  -7.087   6.052   0.370
  256    HB   ILE  36           HB       ILE  36  -4.603   6.815   0.693
  257   HG12  ILE  36          HG13      ILE  36  -5.381   3.966  -0.009
  258   HG13  ILE  36          HG12      ILE  36  -5.303   5.338  -1.115
  259   HG21  ILE  36          HG21      ILE  36  -3.245   5.460   2.075
  260   HG22  ILE  36          HG22      ILE  36  -4.488   4.218   2.225
  261   HG23  ILE  36          HG23      ILE  36  -4.676   5.758   3.062
  262   HD11  ILE  36          HD11      ILE  36  -3.162   3.598  -0.207
  263   HD12  ILE  36          HD12      ILE  36  -2.795   5.290   0.133
  264   HD13  ILE  36          HD13      ILE  36  -3.159   4.783  -1.514
  265    H    ASP  37           H        ASP  37  -6.646   5.857   3.826
  266    HA   ASP  37           HA       ASP  37  -6.702   3.027   4.136
  267    HB2  ASP  37           HB3      ASP  37  -7.694   5.200   5.998
  268    HB3  ASP  37           HB2      ASP  37  -7.520   3.507   6.448
  269    H    SER  38           H        SER  38  -9.262   5.259   3.333
  270    HA   SER  38           HA       SER  38 -11.233   3.044   3.744
  271    HB2  SER  38          2HB       SER  38 -11.570   6.038   3.889
  272    HB3  SER  38          1HB       SER  38 -12.937   4.934   3.784
  273    H    LEU  39           H        LEU  39 -11.049   6.005   1.728
  274    HA   LEU  39           HA       LEU  39 -12.653   4.844  -0.348
  275    HB2  LEU  39           HB3      LEU  39 -10.804   7.222  -0.323
  276    HB3  LEU  39           HB2      LEU  39 -11.777   6.787  -1.721
  277    HG   LEU  39           HG       LEU  39 -13.750   6.779   0.013
  278   HD11  LEU  39          HD11      LEU  39 -13.361   8.578   1.747
  279   HD12  LEU  39          HD12      LEU  39 -11.641   8.476   1.373
  280   HD13  LEU  39          HD13      LEU  39 -12.483   7.078   2.042
  281   HD21  LEU  39          HD21      LEU  39 -14.118   9.182  -0.455
  282   HD22  LEU  39          HD22      LEU  39 -13.542   8.327  -1.886
  283   HD23  LEU  39          HD23      LEU  39 -12.434   9.333  -0.954
  284    H    GLY  40           H        GLY  40  -9.145   5.436  -0.164
  285    HA2  GLY  40           HA3      GLY  40  -8.600   4.106  -2.667
  286    HA3  GLY  40           HA2      GLY  40  -7.402   4.536  -1.447
  287    H    LEU  41           H        LEU  41  -8.484   3.132   0.735
  288    HA   LEU  41           HA       LEU  41  -7.369   0.549   0.343
  289    HB2  LEU  41           HB3      LEU  41  -7.695   1.716   2.557
  290    HB3  LEU  41           HB2      LEU  41  -9.408   1.322   2.440
  291    HG   LEU  41           HG       LEU  41  -7.591  -0.967   2.002
  292   HD11  LEU  41          HD11      LEU  41  -7.264  -1.206   4.505
  293   HD12  LEU  41          HD12      LEU  41  -7.765   0.478   4.657
  294   HD13  LEU  41          HD13      LEU  41  -6.306   0.071   3.753
  295   HD21  LEU  41          HD21      LEU  41  -9.877  -0.641   3.955
  296   HD22  LEU  41          HD22      LEU  41  -9.292  -2.125   3.202
  297   HD23  LEU  41          HD23      LEU  41 -10.154  -0.928   2.237
  298    H    LEU  42           H        LEU  42 -10.738   1.678   0.248
  299    HA   LEU  42           HA       LEU  42 -11.971  -0.876   0.033
  300    HB2  LEU  42           HB3      LEU  42 -13.194   1.304   0.331
  301    HB3  LEU  42           HB2      LEU  42 -12.846   1.677  -1.349
  302    HG   LEU  42           HG       LEU  42 -13.947  -0.597  -1.894
  303   HD11  LEU  42          HD11      LEU  42 -14.058  -0.697   0.904
  304   HD12  LEU  42          HD12      LEU  42 -14.878  -1.779  -0.219
  305   HD13  LEU  42          HD13      LEU  42 -15.710  -0.352   0.399
  306   HD21  LEU  42          HD21      LEU  42 -15.189   1.218  -2.631
  307   HD22  LEU  42          HD22      LEU  42 -15.267   1.948  -1.026
  308   HD23  LEU  42          HD23      LEU  42 -16.292   0.567  -1.419
  309    H    LYS  43           H        LYS  43 -10.663   1.291  -2.474
  310    HA   LYS  43           HA       LYS  43 -11.298  -0.422  -4.683
  311    HB2  LYS  43           HB3      LYS  43  -9.119   1.646  -4.342
  312    HB3  LYS  43           HB2      LYS  43  -9.551   0.898  -5.874
  313    HG2  LYS  43           HG3      LYS  43 -11.858   1.767  -5.644
  314    HG3  LYS  43           HG2      LYS  43 -11.408   2.530  -4.120
  315    HD2  LYS  43           HD3      LYS  43 -11.247   4.243  -5.782
  316    HD3  LYS  43           HD2      LYS  43  -9.592   3.766  -5.407
  317    HE2  LYS  43           HE3      LYS  43  -9.239   3.177  -7.550
  318    HE3  LYS  43           HE2      LYS  43 -10.613   2.075  -7.506
  319    HZ1  LYS  43           HZ1      LYS  43 -10.577   4.144  -9.093
  320    HZ2  LYS  43           HZ2      LYS  43 -11.152   4.943  -7.708
  321    HZ3  LYS  43           HZ3      LYS  43 -12.015   3.630  -8.354
  322    H    VAL  44           H        VAL  44  -8.607  -0.225  -2.424
  323    HA   VAL  44           HA       VAL  44  -6.829  -1.995  -3.802
  324    HB   VAL  44           HB       VAL  44  -7.111  -1.384  -0.848
  325   HG11  VAL  44          HG11      VAL  44  -5.172  -3.067  -2.405
  326   HG12  VAL  44          HG12      VAL  44  -5.891  -3.372  -0.825
  327   HG13  VAL  44          HG13      VAL  44  -4.604  -2.177  -0.992
  328   HG21  VAL  44          HG21      VAL  44  -5.627   0.352  -1.198
  329   HG22  VAL  44          HG22      VAL  44  -6.423   0.349  -2.771
  330   HG23  VAL  44          HG23      VAL  44  -4.860  -0.443  -2.573
  331    H    ILE  45           H        ILE  45  -9.410  -2.658  -1.414
  332    HA   ILE  45           HA       ILE  45  -8.818  -5.408  -1.039
  333    HB   ILE  45           HB       ILE  45 -11.568  -4.125  -1.111
  334   HG12  ILE  45          HG13      ILE  45 -10.234  -2.872   0.451
  335   HG13  ILE  45          HG12      ILE  45 -11.213  -3.984   1.398
  336   HG21  ILE  45          HG21      ILE  45 -12.173  -5.959   0.390
  337   HG22  ILE  45          HG22      ILE  45 -10.522  -6.571   0.329
  338   HG23  ILE  45          HG23      ILE  45 -11.527  -6.599  -1.119
  339   HD11  ILE  45          HD11      ILE  45  -9.171  -5.587   1.207
  340   HD12  ILE  45          HD12      ILE  45  -9.077  -4.237   2.338
  341   HD13  ILE  45          HD13      ILE  45  -8.271  -4.132   0.773
  342    H    ALA  46           H        ALA  46 -11.058  -3.884  -3.385
  343    HA   ALA  46           HA       ALA  46 -11.676  -6.367  -4.709
  344    HB1  ALA  46           HB1      ALA  46 -12.901  -4.055  -4.798
  345    HB2  ALA  46           HB2      ALA  46 -12.883  -5.069  -6.240
  346    HB3  ALA  46           HB3      ALA  46 -11.772  -3.707  -6.108
  347    H    TRP  47           H        TRP  47  -9.302  -3.807  -5.348
  348    HA   TRP  47           HA       TRP  47  -8.316  -4.958  -7.797
  349    HB2  TRP  47           HB3      TRP  47  -7.923  -2.636  -7.391
  350    HB3  TRP  47           HB2      TRP  47  -7.145  -2.978  -5.846
  351    HD1  TRP  47           HD1      TRP  47  -6.480  -4.830  -9.159
  352    HE1  TRP  47           HE1      TRP  47  -3.984  -4.541  -9.743
  353    HE3  TRP  47           HE3      TRP  47  -5.094  -1.642  -5.455
  354    HZ2  TRP  47           HZ2      TRP  47  -1.693  -3.125  -8.758
  355    HZ3  TRP  47           HZ3      TRP  47  -2.754  -0.827  -5.286
  356    HH2  TRP  47           HH2      TRP  47  -1.055  -1.566  -6.934
  357    H    LEU  48           H        LEU  48  -7.230  -5.135  -4.426
  358    HA   LEU  48           HA       LEU  48  -4.853  -6.612  -4.860
  359    HB2  LEU  48           HB3      LEU  48  -5.574  -5.546  -2.694
  360    HB3  LEU  48           HB2      LEU  48  -6.721  -6.858  -2.493
  361    HG   LEU  48           HG       LEU  48  -4.822  -8.472  -2.669
  362   HD11  LEU  48          HD11      LEU  48  -2.934  -7.604  -3.562
  363   HD12  LEU  48          HD12      LEU  48  -2.643  -6.920  -1.963
  364   HD13  LEU  48          HD13      LEU  48  -3.433  -5.952  -3.207
  365   HD21  LEU  48          HD21      LEU  48  -3.759  -7.391  -0.401
  366   HD22  LEU  48          HD22      LEU  48  -5.291  -8.264  -0.443
  367   HD23  LEU  48          HD23      LEU  48  -5.278  -6.502  -0.510
  368    H    GLU  49           H        GLU  49  -8.202  -7.721  -4.363
  369    HA   GLU  49           HA       GLU  49  -7.589 -10.515  -4.346
  370    HB2  GLU  49           HB3      GLU  49  -9.744  -9.718  -3.555
  371    HB3  GLU  49           HB2      GLU  49 -10.128  -9.060  -5.137
  372    HG2  GLU  49           HG3      GLU  49 -10.072 -11.322  -6.098
  373    HG3  GLU  49           HG2      GLU  49  -9.675 -11.987  -4.521
  374    H    ASP  50           H        ASP  50  -8.302  -8.256  -6.987
  375    HA   ASP  50           HA       ASP  50  -8.533 -10.184  -9.058
  376    HB2  ASP  50           HB3      ASP  50  -9.041  -7.716  -9.234
  377    HB3  ASP  50           HB2      ASP  50  -7.303  -7.444  -9.343
  378    H    ARG  51           H        ARG  51  -5.675  -8.670  -7.614
  379    HA   ARG  51           HA       ARG  51  -3.841  -9.788  -9.552
  380    HB2  ARG  51           HB3      ARG  51  -3.413  -8.581  -6.814
  381    HB3  ARG  51           HB2      ARG  51  -2.106  -9.061  -7.894
  382    HG2  ARG  51           HG3      ARG  51  -3.059  -7.551  -9.645
  383    HG3  ARG  51           HG2      ARG  51  -4.256  -7.005  -8.470
  384    HD2  ARG  51           HD3      ARG  51  -2.442  -5.412  -8.446
  385    HD3  ARG  51           HD2      ARG  51  -2.343  -6.350  -6.955
  386    HE   ARG  51           HE       ARG  51  -0.720  -7.392  -9.172
  387   HH11  ARG  51          HH11      ARG  51   1.506  -7.384  -8.786
  388   HH12  ARG  51          HH12      ARG  51   2.134  -6.496  -7.437
  389   HH21  ARG  51          HH21      ARG  51  -0.975  -5.375  -6.389
  390   HH22  ARG  51          HH22      ARG  51   0.729  -5.359  -6.080
  391    H    PHE  52           H        PHE  52  -4.574 -10.703  -6.137
  392    HA   PHE  52           HA       PHE  52  -3.177 -13.285  -6.711
  393    HB2  PHE  52           HB3      PHE  52  -3.377 -11.584  -4.257
  394    HB3  PHE  52           HB2      PHE  52  -3.146 -13.322  -4.083
  395    HD1  PHE  52           HD1      PHE  52  -1.604 -10.165  -5.009
  396    HD2  PHE  52           HD2      PHE  52  -1.188 -14.436  -5.203
  397    HE1  PHE  52           HE1      PHE  52   0.800  -9.908  -5.562
  398    HE2  PHE  52           HE2      PHE  52   1.214 -14.179  -5.753
  399    HZ   PHE  52           HZ       PHE  52   2.208 -11.916  -5.935
  400    H    GLY  53           H        GLY  53  -6.273 -12.069  -6.342
  401    HA2  GLY  53           HA3      GLY  53  -8.307 -13.273  -6.176
  402    HA3  GLY  53           HA2      GLY  53  -7.356 -14.753  -6.081
  403    H    ILE  54           H        ILE  54  -6.845 -12.056  -3.880
  404    HA   ILE  54           HA       ILE  54  -7.310 -13.822  -1.600
  405    HB   ILE  54           HB       ILE  54  -6.810 -10.828  -1.672
  406   HG12  ILE  54          HG13      ILE  54  -4.861 -13.113  -1.228
  407   HG13  ILE  54          HG12      ILE  54  -5.027 -12.236  -2.749
  408   HG21  ILE  54          HG21      ILE  54  -5.830 -12.208   0.654
  409   HG22  ILE  54          HG22      ILE  54  -7.541 -12.580   0.441
  410   HG23  ILE  54          HG23      ILE  54  -7.012 -10.903   0.568
  411   HD11  ILE  54          HD11      ILE  54  -3.887 -10.440  -1.970
  412   HD12  ILE  54          HD12      ILE  54  -3.328 -11.527  -0.698
  413   HD13  ILE  54          HD13      ILE  54  -4.718 -10.480  -0.416
  414    H    ALA  55           H        ALA  55  -9.133 -13.833  -0.277
  415    HA   ALA  55           HA       ALA  55 -11.609 -12.922  -1.350
  416    HB1  ALA  55           HB1      ALA  55 -12.542 -14.034   0.405
  417    HB2  ALA  55           HB2      ALA  55 -11.499 -13.242   1.586
  418    HB3  ALA  55           HB3      ALA  55 -10.901 -14.623   0.668
  419    H    ALA  56           H        ALA  56 -12.615 -10.979  -1.220
  420    HA   ALA  56           HA       ALA  56 -11.255  -8.677  -0.167
  421    HB1  ALA  56           HB1      ALA  56 -14.085  -9.141  -1.134
  422    HB2  ALA  56           HB2      ALA  56 -12.772  -8.316  -1.976
  423    HB3  ALA  56           HB3      ALA  56 -13.528  -7.566  -0.571
  424    H    ASP  57           H        ASP  57 -13.616 -10.904   1.134
  425    HA   ASP  57           HA       ASP  57 -14.677  -9.407   3.271
  426    HB2  ASP  57           HB3      ASP  57 -15.373 -11.724   2.561
  427    HB3  ASP  57           HB2      ASP  57 -13.945 -12.333   3.394
  428    H    ASP  58           H        ASP  58 -11.533 -10.979   2.975
  429    HA   ASP  58           HA       ASP  58 -10.703 -11.090   5.633
  430    HB2  ASP  58           HB3      ASP  58  -9.121 -10.219   3.210
  431    HB3  ASP  58           HB2      ASP  58  -8.398 -10.619   4.766
  432    H    VAL  59           H        VAL  59 -10.059  -9.602   7.165
  433    HA   VAL  59           HA       VAL  59  -9.576  -6.801   6.448
  434    HB   VAL  59           HB       VAL  59 -12.024  -6.818   6.542
  435   HG11  VAL  59          HG11      VAL  59 -11.807  -7.759   9.404
  436   HG12  VAL  59          HG12      VAL  59 -12.030  -8.890   8.070
  437   HG13  VAL  59          HG13      VAL  59 -13.249  -7.658   8.395
  438   HG21  VAL  59          HG21      VAL  59 -11.515  -5.644   9.195
  439   HG22  VAL  59          HG22      VAL  59 -12.089  -4.872   7.717
  440   HG23  VAL  59          HG23      VAL  59 -10.363  -5.137   7.959
  441    H    GLU  60           H        GLU  60  -8.218  -9.076   7.806
  442    HA   GLU  60           HA       GLU  60  -8.156  -8.701  10.633
  443    HB2  GLU  60           HB3      GLU  60  -5.995  -9.677   8.746
  444    HB3  GLU  60           HB2      GLU  60  -5.930  -9.821  10.499
  445    HG2  GLU  60           HG3      GLU  60  -8.037 -11.120  10.444
  446    HG3  GLU  60           HG2      GLU  60  -8.023 -11.030   8.688
  447    H    LEU  61           H        LEU  61  -6.684  -6.917   8.012
  448    HA   LEU  61           HA       LEU  61  -4.735  -5.551   9.683
  449    HB2  LEU  61           HB3      LEU  61  -5.824  -4.891   6.933
  450    HB3  LEU  61           HB2      LEU  61  -4.485  -4.049   7.704
  451    HG   LEU  61           HG       LEU  61  -3.345  -6.304   7.925
  452   HD11  LEU  61          HD11      LEU  61  -5.777  -7.069   6.349
  453   HD12  LEU  61          HD12      LEU  61  -4.943  -7.961   7.620
  454   HD13  LEU  61          HD13      LEU  61  -4.252  -7.880   6.001
  455   HD21  LEU  61          HD21      LEU  61  -3.645  -4.572   5.649
  456   HD22  LEU  61          HD22      LEU  61  -3.418  -6.228   5.088
  457   HD23  LEU  61          HD23      LEU  61  -2.225  -5.486   6.153
  458    H    SER  62           H        SER  62  -4.890  -3.449  10.532
  459    HA   SER  62           HA       SER  62  -7.577  -2.167  10.413
  460    HB2  SER  62           HB3      SER  62  -7.842  -2.353  12.647
  461    HB3  SER  62           HB2      SER  62  -6.437  -3.413  12.665
  462    HG   SER  62           HG       SER  62  -5.300  -1.852  13.494
  463    HA   PRO  63           HA       PRO  63  -5.761   1.784   9.721
  464    HB2  PRO  63           HB3      PRO  63  -6.355   2.697  12.489
  465    HB3  PRO  63           HB2      PRO  63  -6.804   3.430  10.941
  466    HG2  PRO  63           HG3      PRO  63  -8.569   2.113  12.462
  467    HG3  PRO  63           HG2      PRO  63  -8.649   2.114  10.694
  468    HD2  PRO  63           HD3      PRO  63  -7.828  -0.071  12.531
  469    HD3  PRO  63           HD2      PRO  63  -8.516  -0.166  10.897
  470    H    GLU  64           H        GLU  64  -4.914   0.295  12.804
  471    HA   GLU  64           HA       GLU  64  -2.531   1.829  13.295
  472    HB2  GLU  64           HB3      GLU  64  -3.289  -0.966  14.160
  473    HB3  GLU  64           HB2      GLU  64  -1.914  -0.073  14.789
  474    HG2  GLU  64           HG3      GLU  64  -3.454   1.716  15.537
  475    HG3  GLU  64           HG2      GLU  64  -4.814   0.752  14.973
  476    H    HIS  65           H        HIS  65  -3.251  -0.980  11.333
  477    HA   HIS  65           HA       HIS  65  -0.539  -1.817  10.868
  478    HB2  HIS  65           HB3      HIS  65  -2.415  -3.306  10.403
  479    HB3  HIS  65           HB2      HIS  65  -3.051  -2.178   9.206
  480    HD1  HIS  65           HD1      HIS  65  -2.124  -2.325   6.867
  481    HD2  HIS  65           HD2      HIS  65   0.157  -4.495   9.603
  482    HE1  HIS  65           HE1      HIS  65  -0.424  -3.627   5.511
  483    HE2  HIS  65           HE2      HIS  65   0.971  -4.947   7.168
  484    H    PHE  66           H        PHE  66  -2.545   0.699   9.499
  485    HA   PHE  66           HA       PHE  66  -0.656   1.131   7.261
  486    HB2  PHE  66           HB3      PHE  66  -3.194   2.590   8.058
  487    HB3  PHE  66           HB2      PHE  66  -2.249   2.924   6.605
  488    HD1  PHE  66           HD1      PHE  66  -2.150   1.311   4.759
  489    HD2  PHE  66           HD2      PHE  66  -4.503   0.545   8.270
  490    HE1  PHE  66           HE1      PHE  66  -3.319  -0.530   3.577
  491    HE2  PHE  66           HE2      PHE  66  -5.672  -1.293   7.088
  492    HZ   PHE  66           HZ       PHE  66  -5.079  -1.832   4.742
  493    H    ARG  67           H        ARG  67  -0.406   1.732  10.383
  494    HA   ARG  67           HA       ARG  67  -0.061   4.492  10.764
  495    HB2  ARG  67           HB3      ARG  67   0.121   2.754  12.552
  496    HB3  ARG  67           HB2      ARG  67   1.689   2.290  11.900
  497    HG2  ARG  67           HG3      ARG  67   2.280   3.774  13.610
  498    HG3  ARG  67           HG2      ARG  67   2.270   4.821  12.196
  499    HD2  ARG  67           HD3      ARG  67  -0.029   5.547  12.744
  500    HD3  ARG  67           HD2      ARG  67  -0.016   4.499  14.160
  501    HE   ARG  67           HE       ARG  67   2.209   6.099  14.517
  502   HH11  ARG  67          HH11      ARG  67   2.131   8.085  15.595
  503   HH12  ARG  67          HH12      ARG  67   0.639   8.963  15.656
  504   HH21  ARG  67          HH21      ARG  67  -1.135   6.600  13.842
  505   HH22  ARG  67          HH22      ARG  67  -1.210   8.122  14.665
  506    H    SER  68           H        SER  68   2.114   2.147   9.258
  507    HA   SER  68           HA       SER  68   3.602   4.387   8.033
  508    HB2  SER  68           HB3      SER  68   4.783   3.886  10.178
  509    HB3  SER  68           HB2      SER  68   5.018   2.230   9.628
  510    HG   SER  68           HG       SER  68   6.793   3.711   9.200
  511    H    ILE  69           H        ILE  69   4.802   3.717   6.148
  512    HA   ILE  69           HA       ILE  69   3.615   1.567   4.678
  513    HB   ILE  69           HB       ILE  69   5.658   1.970   3.148
  514   HG12  ILE  69          HG13      ILE  69   6.118   4.554   4.439
  515   HG13  ILE  69          HG12      ILE  69   6.624   3.197   5.441
  516   HG21  ILE  69          HG21      ILE  69   3.848   4.271   3.921
  517   HG22  ILE  69          HG22      ILE  69   3.458   2.995   2.768
  518   HG23  ILE  69          HG23      ILE  69   4.743   4.148   2.408
  519   HD11  ILE  69          HD11      ILE  69   7.388   3.450   2.525
  520   HD12  ILE  69          HD12      ILE  69   8.069   2.352   3.727
  521   HD13  ILE  69          HD13      ILE  69   8.389   4.084   3.832
  522    H    ARG  70           H        ARG  70   6.602   1.794   6.577
  523    HA   ARG  70           HA       ARG  70   7.785  -0.651   5.732
  524    HB2  ARG  70           HB3      ARG  70   7.927   0.748   8.418
  525    HB3  ARG  70           HB2      ARG  70   8.988  -0.570   7.919
  526    HG2  ARG  70           HG3      ARG  70   9.696   0.802   5.952
  527    HG3  ARG  70           HG2      ARG  70   8.727   2.137   6.578
  528    HD2  ARG  70           HD3      ARG  70  11.057   0.806   7.991
  529    HD3  ARG  70           HD2      ARG  70  11.056   2.417   7.274
  530    HE   ARG  70           HE       ARG  70   8.945   2.142   9.233
  531   HH11  ARG  70          HH11      ARG  70   9.232   3.244  11.185
  532   HH12  ARG  70          HH12      ARG  70  10.811   3.806  11.624
  533   HH21  ARG  70          HH21      ARG  70  12.330   2.589   8.754
  534   HH22  ARG  70          HH22      ARG  70  12.564   3.435  10.248
  535    H    SER  71           H        SER  71   5.355  -0.005   8.249
  536    HA   SER  71           HA       SER  71   5.342  -2.627   9.378
  537    HB2  SER  71           HB3      SER  71   3.208  -2.006  10.328
  538    HB3  SER  71           HB2      SER  71   4.239  -0.582  10.358
  539    HG   SER  71           HG       SER  71   1.922  -1.070   8.979
  540    H    ILE  72           H        ILE  72   3.662  -1.212   6.600
  541    HA   ILE  72           HA       ILE  72   1.947  -3.445   6.085
  542    HB   ILE  72           HB       ILE  72   3.069  -1.373   4.176
  543   HG12  ILE  72          HG13      ILE  72   0.429  -1.443   5.672
  544   HG13  ILE  72          HG12      ILE  72   1.813  -0.454   6.140
  545   HG21  ILE  72          HG21      ILE  72   0.469  -2.283   3.479
  546   HG22  ILE  72          HG22      ILE  72   1.464  -3.710   3.768
  547   HG23  ILE  72          HG23      ILE  72   1.971  -2.507   2.582
  548   HD11  ILE  72          HD11      ILE  72   1.743   0.558   3.815
  549   HD12  ILE  72          HD12      ILE  72   0.362   0.954   4.838
  550   HD13  ILE  72          HD13      ILE  72   0.204  -0.272   3.581
  551    H    ASP  73           H        ASP  73   5.220  -2.598   5.045
  552    HA   ASP  73           HA       ASP  73   5.608  -4.592   3.085
  553    HB2  ASP  73           HB3      ASP  73   7.211  -2.741   3.648
  554    HB3  ASP  73           HB2      ASP  73   7.666  -3.639   5.095
  555    H    ALA  74           H        ALA  74   5.970  -4.788   6.626
  556    HA   ALA  74           HA       ALA  74   6.988  -7.473   6.630
  557    HB1  ALA  74           HB1      ALA  74   5.879  -5.591   8.636
  558    HB2  ALA  74           HB2      ALA  74   7.344  -6.572   8.702
  559    HB3  ALA  74           HB3      ALA  74   5.776  -7.304   9.045
  560    H    PHE  75           H        PHE  75   3.680  -6.201   7.008
  561    HA   PHE  75           HA       PHE  75   2.440  -8.745   7.394
  562    HB2  PHE  75           HB3      PHE  75   1.340  -6.541   7.821
  563    HB3  PHE  75           HB2      PHE  75   1.235  -6.306   6.078
  564    HD1  PHE  75           HD1      PHE  75   0.083  -8.383   8.917
  565    HD2  PHE  75           HD2      PHE  75  -0.358  -7.519   4.733
  566    HE1  PHE  75           HE1      PHE  75  -1.993  -9.737   8.857
  567    HE2  PHE  75           HE2      PHE  75  -2.435  -8.873   4.673
  568    HZ   PHE  75           HZ       PHE  75  -3.252  -9.982   6.735
  569    H    VAL  76           H        VAL  76   2.886  -6.810   4.420
  570    HA   VAL  76           HA       VAL  76   1.705  -8.758   2.688
  571    HB   VAL  76           HB       VAL  76   3.698  -6.537   2.158
  572   HG11  VAL  76          HG11      VAL  76   3.970  -7.873   0.280
  573   HG12  VAL  76          HG12      VAL  76   2.603  -6.876  -0.216
  574   HG13  VAL  76          HG13      VAL  76   2.330  -8.515   0.373
  575   HG21  VAL  76          HG21      VAL  76   0.792  -6.590   1.380
  576   HG22  VAL  76          HG22      VAL  76   1.841  -5.199   1.652
  577   HG23  VAL  76          HG23      VAL  76   1.250  -6.140   3.022
  578    H    VAL  77           H        VAL  77   5.098  -8.137   3.647
  579    HA   VAL  77           HA       VAL  77   6.270 -10.092   1.938
  580    HB   VAL  77           HB       VAL  77   7.111  -8.940   4.605
  581   HG11  VAL  77          HG11      VAL  77   9.382  -9.911   3.918
  582   HG12  VAL  77          HG12      VAL  77   8.480 -10.931   2.796
  583   HG13  VAL  77          HG13      VAL  77   8.188 -11.055   4.531
  584   HG21  VAL  77          HG21      VAL  77   7.016  -7.611   2.350
  585   HG22  VAL  77          HG22      VAL  77   8.439  -8.564   1.927
  586   HG23  VAL  77          HG23      VAL  77   8.473  -7.505   3.337
  587    H    GLY  78           H        GLY  78   4.952 -10.314   5.226
  588    HA2  GLY  78           HA3      GLY  78   5.752 -12.965   5.808
  589    HA3  GLY  78           HA2      GLY  78   4.319 -12.188   6.479
  590    H    ALA  79           H        ALA  79   3.022 -11.775   3.878
  591    HA   ALA  79           HA       ALA  79   2.168 -14.592   3.449
  592    HB1  ALA  79           HB1      ALA  79   0.797 -12.017   3.540
  593    HB2  ALA  79           HB2      ALA  79   0.142 -13.643   3.735
  594    HB3  ALA  79           HB3      ALA  79   0.357 -12.966   2.120
  595    H    THR  80           H        THR  80   2.797 -11.632   1.529
  596    HA   THR  80           HA       THR  80   3.974 -13.315  -0.584
  597    HB   THR  80           HB       THR  80   1.586 -11.556  -1.159
  598    HG1  THR  80           HG1      THR  80   0.435 -13.279  -0.898
  599   HG21  THR  80          HG21      THR  80   1.781 -12.881  -3.375
  600   HG22  THR  80          HG22      THR  80   3.427 -13.233  -2.847
  601   HG23  THR  80          HG23      THR  80   2.919 -11.562  -3.097
  602    H    THR  81           H        THR  81   5.488 -12.176  -1.791
  603    HA   THR  81           HA       THR  81   5.658  -9.233  -1.284
  604    HB   THR  81           HB       THR  81   7.536  -9.992  -0.148
  605    HG1  THR  81           HG1      THR  81   8.503  -8.704  -1.563
  606   HG21  THR  81          HG21      THR  81   8.927 -11.926  -1.245
  607   HG22  THR  81          HG22      THR  81   7.437 -12.245  -2.130
  608   HG23  THR  81          HG23      THR  81   7.447 -12.314  -0.368
  609    HA   PRO  82           HA       PRO  82   5.603  -9.785  -5.838
  610    HB2  PRO  82           HB3      PRO  82   3.445  -8.300  -6.385
  611    HB3  PRO  82           HB2      PRO  82   3.283  -9.923  -5.689
  612    HG2  PRO  82           HG3      PRO  82   2.929  -7.280  -4.410
  613    HG3  PRO  82           HG2      PRO  82   2.147  -8.827  -4.048
  614    HD2  PRO  82           HD3      PRO  82   4.385  -7.663  -2.688
  615    HD3  PRO  82           HD2      PRO  82   3.673  -9.268  -2.412
  616    HA   PRO  83           HA       PRO  83   7.552  -5.616  -5.936
  617    HB2  PRO  83           HB3      PRO  83   9.565  -6.219  -7.647
  618    HB3  PRO  83           HB2      PRO  83   9.633  -6.623  -5.921
  619    HG2  PRO  83           HG3      PRO  83   9.088  -8.370  -8.252
  620    HG3  PRO  83           HG2      PRO  83   9.925  -8.733  -6.734
  621    HD2  PRO  83           HD3      PRO  83   7.281  -9.432  -7.323
  622    HD3  PRO  83           HD2      PRO  83   7.990  -9.375  -5.695
  623    H    VAL  84           H        VAL  84   6.775  -4.042  -7.288
  624    HA   VAL  84           HA       VAL  84   6.390  -4.718 -10.172
  625    HB   VAL  84           HB       VAL  84   4.423  -3.168  -8.462
  626   HG11  VAL  84          HG11      VAL  84   4.891  -3.181 -11.250
  627   HG12  VAL  84          HG12      VAL  84   3.505  -2.494 -10.404
  628   HG13  VAL  84          HG13      VAL  84   3.443  -4.155 -10.993
  629   HG21  VAL  84          HG21      VAL  84   4.739  -6.023  -9.050
  630   HG22  VAL  84          HG22      VAL  84   3.153  -5.403  -9.508
  631   HG23  VAL  84          HG23      VAL  84   3.720  -5.233  -7.846
  632    H    GLU  85           H        GLU  85   7.200  -3.154 -11.516
  633    HA   GLU  85           HA       GLU  85   8.706  -0.959 -10.462
  634    HB2  GLU  85           HB3      GLU  85   9.083  -2.013 -12.707
  635    HB3  GLU  85           HB2      GLU  85   7.594  -1.253 -13.270
  636    HG2  GLU  85           HG3      GLU  85   8.544   0.973 -12.667
  637    HG3  GLU  85           HG2      GLU  85  10.055   0.178 -12.225
  638    H    ALA  86           H        ALA  86   5.424  -1.189 -11.793
  639    HA   ALA  86           HA       ALA  86   4.631   1.215 -10.346
  640    HB1  ALA  86           HB1      ALA  86   5.618   2.332 -12.248
  641    HB2  ALA  86           HB2      ALA  86   3.866   2.409 -12.436
  642    HB3  ALA  86           HB3      ALA  86   4.804   1.244 -13.371
  643    H    LYS  87           H        LYS  87   2.316   1.422 -10.293
  644    HA   LYS  87           HA       LYS  87   0.861  -1.014 -10.508
  645    HB2  LYS  87           HB3      LYS  87  -0.127   1.851 -10.422
  646    HB3  LYS  87           HB2      LYS  87  -1.170   0.439 -10.258
  647    HG2  LYS  87           HG3      LYS  87   0.241  -0.302  -8.320
  648    HG3  LYS  87           HG2      LYS  87   1.121   1.222  -8.434
  649    HD2  LYS  87           HD3      LYS  87  -1.010   2.457  -8.116
  650    HD3  LYS  87           HD2      LYS  87  -1.855   0.918  -7.936
  651    HE2  LYS  87           HE3      LYS  87  -0.200   2.373  -6.000
  652    HE3  LYS  87           HE2      LYS  87  -1.405   1.115  -5.725
  653    HZ1  LYS  87           HZ1      LYS  87   0.670   0.231  -5.078
  654    HZ2  LYS  87           HZ2      LYS  87   1.435   0.765  -6.498
  655    HZ3  LYS  87           HZ3      LYS  87   0.296  -0.495  -6.565
  656    H    LEU  88           H        LEU  88   1.329   1.632 -12.796
  657    HA   LEU  88           HA       LEU  88  -0.529   0.332 -14.711
  658    HB2  LEU  88           HB3      LEU  88  -0.592   2.820 -14.384
  659    HB3  LEU  88           HB2      LEU  88   1.053   2.902 -15.011
  660    HG   LEU  88           HG       LEU  88   0.226   1.744 -17.100
  661   HD11  LEU  88          HD11      LEU  88  -2.481   2.449 -17.051
  662   HD12  LEU  88          HD12      LEU  88  -2.203   1.678 -15.489
  663   HD13  LEU  88          HD13      LEU  88  -1.826   0.814 -16.980
  664   HD21  LEU  88          HD21      LEU  88  -1.412   4.005 -17.413
  665   HD22  LEU  88          HD22      LEU  88   0.308   3.890 -17.788
  666   HD23  LEU  88          HD23      LEU  88  -0.214   4.472 -16.207
  667    H    GLN  89           H        GLN  89   0.226  -0.917 -16.362
  668    HA   GLN  89           HA       GLN  89   3.014  -1.624 -16.507
  669    HB2  GLN  89           HB3      GLN  89   0.742  -2.121 -18.455
  670    HB3  GLN  89           HB2      GLN  89   2.331  -2.879 -18.552
  671    HG2  GLN  89           HG3      GLN  89   2.010  -3.888 -16.336
  672    HG3  GLN  89           HG2      GLN  89   0.439  -3.098 -16.192
  673   HE21  GLN  89          HE21      GLN  89   0.629  -5.939 -16.096
  674   HE22  GLN  89          HE22      GLN  89  -0.088  -6.581 -17.495
  675    H3   7V9 101          1H1       NIA 101 -11.352   1.954   5.749
  676    H4   7V9 101          2H1       NIA 101 -12.756   1.121   6.415
  677    H5   7V9 101          1HE1      NIA 101 -10.905   0.979   9.826
  678    H6   7V9 101          2HE1      NIA 101 -12.463   1.537   9.214
  679    H7   7V9 101          3HE1      NIA 101 -11.068   2.616   9.191
  680    H8   7V9 101          2HE2      NIA 101  -9.479   2.445   7.071
  681    H9   7V9 101          3HE2      NIA 101  -9.193   0.767   6.613
  682    H10  7V9 101          1HE2      NIA 101  -8.973   1.273   8.287
  683    H11  7V9 101          3H        NIA 101 -11.337  -0.729   6.587
  684    H12  7V9 101          3HO       NIA 101 -13.161  -0.525   7.826
  685    H13  7V9 101          5H        NIA 101  -8.189  -1.073   7.464
  686    H14  7V9 101          1H6       NIA 101 -10.178  -3.185   6.779
  687    H15  7V9 101          2H6       NIA 101  -9.401  -2.277   5.483
  688    H16  7V9 101          1H7       NIA 101  -8.341  -4.471   7.123
  689    H17  7V9 101          2H7       NIA 101  -7.251  -3.089   7.018
  690    H18  7V9 101          9H        NIA 101  -5.808  -3.436   5.376
  691    H19  7V9 101          1H10      NIA 101  -6.835  -4.397   2.759
  692    H20  7V9 101          2H10      NIA 101  -6.281  -2.726   2.870
  693    H21  7V9 101          1H11      NIA 101  -4.623  -5.209   3.409
  694    H22  7V9 101          2H11      NIA 101  -4.057  -3.555   3.640
  695    H25  7V9 101          5H1       NIA 101  -1.078  -2.015   1.571
  696    H26  7V9 101          7H1       NIA 101  -1.439  -1.080  -2.500
  697    H27  7V9 101          8H1       NIA 101  -2.806  -3.114  -2.886
  698    H28  7V9 101          9H1       NIA 101  -2.942  -4.821  -1.068
  Start of MODEL   15
    1    H1   MET   1           H1       MET   1  11.578  -1.198  -0.023
    2    H2   MET   1           H2       MET   1  11.215  -1.887  -1.533
    3    H3   MET   1           H3       MET   1  12.796  -1.369  -1.190
    4    HA   MET   1           HA       MET   1  13.329  -3.233  -0.108
    5    HB2  MET   1           HB3      MET   1  10.483  -3.226   0.940
    6    HB3  MET   1           HB2      MET   1  11.746  -4.343   1.454
    7    HG2  MET   1           HG3      MET   1  13.124  -2.377   2.164
    8    HG3  MET   1           HG2      MET   1  11.759  -1.329   1.773
    9    HE1  MET   1           HE1      MET   1  12.746  -1.537   5.280
   10    HE2  MET   1           HE2      MET   1  11.199  -0.712   5.106
   11    HE3  MET   1           HE3      MET   1  12.427  -0.541   3.854
   12    H    GLN   2           H        GLN   2  11.496  -5.543   0.191
   13    HA   GLN   2           HA       GLN   2  11.761  -6.675  -2.409
   14    HB2  GLN   2           HB3      GLN   2   9.894  -7.460  -0.148
   15    HB3  GLN   2           HB2      GLN   2  10.246  -8.458  -1.560
   16    HG2  GLN   2           HG3      GLN   2  12.641  -8.468  -0.953
   17    HG3  GLN   2           HG2      GLN   2  12.279  -7.486   0.466
   18   HE21  GLN   2          HE21      GLN   2  13.445 -10.027   0.840
   19   HE22  GLN   2          HE22      GLN   2  12.300 -11.074   1.528
   20    H    HIS   3           H        HIS   3   9.059  -5.022  -0.828
   21    HA   HIS   3           HA       HIS   3   7.824  -4.622  -3.488
   22    HB2  HIS   3           HB3      HIS   3   6.828  -6.715  -2.557
   23    HB3  HIS   3           HB2      HIS   3   6.284  -5.795  -1.154
   24    HD1  HIS   3           HD1      HIS   3   4.221  -4.319  -1.428
   25    HD2  HIS   3           HD2      HIS   3   5.506  -5.979  -5.031
   26    HE1  HIS   3           HE1      HIS   3   2.405  -3.833  -3.130
   27    HE2  HIS   3           HE2      HIS   3   3.178  -4.841  -5.326
   28    H    ALA   4           H        ALA   4   8.935  -3.255  -0.782
   29    HA   ALA   4           HA       ALA   4   6.814  -1.590   0.154
   30    HB1  ALA   4           HB1      ALA   4   8.821  -1.734   1.461
   31    HB2  ALA   4           HB2      ALA   4   8.713  -0.069   0.889
   32    HB3  ALA   4           HB3      ALA   4   9.816  -1.201   0.105
   33    H    SER   5           H        SER   5   9.161  -1.159  -2.483
   34    HA   SER   5           HA       SER   5   8.477   1.533  -3.118
   35    HB2  SER   5           HB3      SER   5  10.465   0.392  -4.040
   36    HB3  SER   5           HB2      SER   5   9.418  -0.672  -4.974
   37    HG   SER   5           HG       SER   5   9.302   0.851  -6.402
   38    H    VAL   6           H        VAL   6   7.085  -1.547  -4.201
   39    HA   VAL   6           HA       VAL   6   5.304  -0.435  -6.138
   40    HB   VAL   6           HB       VAL   6   5.094  -2.935  -4.458
   41   HG11  VAL   6          HG11      VAL   6   2.877  -2.618  -5.113
   42   HG12  VAL   6          HG12      VAL   6   3.515  -3.539  -6.476
   43   HG13  VAL   6          HG13      VAL   6   3.334  -1.789  -6.601
   44   HG21  VAL   6          HG21      VAL   6   6.951  -2.485  -6.282
   45   HG22  VAL   6          HG22      VAL   6   5.635  -2.825  -7.407
   46   HG23  VAL   6          HG23      VAL   6   6.127  -4.043  -6.230
   47    H    ILE   7           H        ILE   7   4.982  -1.017  -2.666
   48    HA   ILE   7           HA       ILE   7   2.225  -0.333  -2.436
   49    HB   ILE   7           HB       ILE   7   4.471   0.004  -0.428
   50   HG12  ILE   7          HG13      ILE   7   2.450  -2.237  -0.730
   51   HG13  ILE   7          HG12      ILE   7   4.090  -2.312  -1.375
   52   HG21  ILE   7          HG21      ILE   7   1.483   0.257  -0.274
   53   HG22  ILE   7          HG22      ILE   7   2.725   1.238   0.503
   54   HG23  ILE   7          HG23      ILE   7   2.363  -0.374   1.118
   55   HD11  ILE   7          HD11      ILE   7   4.118  -1.446   1.392
   56   HD12  ILE   7          HD12      ILE   7   4.933  -2.822   0.648
   57   HD13  ILE   7          HD13      ILE   7   3.276  -2.987   1.228
   58    H    ALA   8           H        ALA   8   5.152   1.680  -2.092
   59    HA   ALA   8           HA       ALA   8   3.764   4.103  -1.487
   60    HB1  ALA   8           HB1      ALA   8   5.999   5.030  -2.683
   61    HB2  ALA   8           HB2      ALA   8   6.499   3.366  -2.377
   62    HB3  ALA   8           HB3      ALA   8   5.990   4.393  -1.038
   63    H    GLN   9           H        GLN   9   5.037   2.906  -4.610
   64    HA   GLN   9           HA       GLN   9   3.935   5.126  -6.079
   65    HB2  GLN   9           HB3      GLN   9   4.701   4.055  -8.031
   66    HB3  GLN   9           HB2      GLN   9   5.846   3.544  -6.792
   67    HG2  GLN   9           HG3      GLN   9   5.318   1.522  -7.839
   68    HG3  GLN   9           HG2      GLN   9   4.207   1.540  -6.473
   69   HE21  GLN   9          HE21      GLN   9   2.442   0.405  -7.441
   70   HE22  GLN   9          HE22      GLN   9   1.600   0.987  -8.796
   71    H    PHE  10           H        PHE  10   2.797   1.820  -5.469
   72    HA   PHE  10           HA       PHE  10   0.482   1.943  -7.124
   73    HB2  PHE  10           HB3      PHE  10   1.352  -0.138  -6.057
   74    HB3  PHE  10           HB2      PHE  10   0.803   0.467  -4.495
   75    HD1  PHE  10           HD1      PHE  10  -1.528   0.470  -3.892
   76    HD2  PHE  10           HD2      PHE  10  -0.293  -0.693  -7.838
   77    HE1  PHE  10           HE1      PHE  10  -3.800  -0.414  -4.342
   78    HE2  PHE  10           HE2      PHE  10  -2.567  -1.577  -8.288
   79    HZ   PHE  10           HZ       PHE  10  -4.320  -1.439  -6.539
   80    H    VAL  11           H        VAL  11   0.921   2.760  -3.691
   81    HA   VAL  11           HA       VAL  11  -1.808   3.602  -3.298
   82    HB   VAL  11           HB       VAL  11   0.704   4.342  -1.770
   83   HG11  VAL  11          HG11      VAL  11  -2.242   4.601  -1.130
   84   HG12  VAL  11          HG12      VAL  11  -1.054   5.899  -1.236
   85   HG13  VAL  11          HG13      VAL  11  -0.971   4.734   0.085
   86   HG21  VAL  11          HG21      VAL  11  -0.117   1.848  -2.061
   87   HG22  VAL  11          HG22      VAL  11  -1.340   2.329  -0.884
   88   HG23  VAL  11          HG23      VAL  11   0.372   2.435  -0.471
   89    H    VAL  12           H        VAL  12   1.216   5.401  -3.894
   90    HA   VAL  12           HA       VAL  12   0.014   7.998  -3.897
   91    HB   VAL  12           HB       VAL  12   2.536   6.970  -5.196
   92   HG11  VAL  12          HG11      VAL  12   1.400   9.756  -4.929
   93   HG12  VAL  12          HG12      VAL  12   1.983   8.954  -6.388
   94   HG13  VAL  12          HG13      VAL  12   3.127   9.469  -5.147
   95   HG21  VAL  12          HG21      VAL  12   2.201   6.977  -2.629
   96   HG22  VAL  12          HG22      VAL  12   2.261   8.735  -2.763
   97   HG23  VAL  12          HG23      VAL  12   3.648   7.765  -3.261
   98    H    GLU  13           H        GLU  13   0.502   5.611  -6.447
   99    HA   GLU  13           HA       GLU  13   0.003   7.190  -8.713
  100    HB2  GLU  13           HB3      GLU  13   0.632   4.775  -8.757
  101    HB3  GLU  13           HB2      GLU  13  -1.007   4.379  -8.261
  102    HG2  GLU  13           HG3      GLU  13  -1.853   5.580 -10.291
  103    HG3  GLU  13           HG2      GLU  13  -0.178   5.779 -10.801
  104    H    GLU  14           H        GLU  14  -2.300   5.813  -6.414
  105    HA   GLU  14           HA       GLU  14  -4.658   6.475  -7.915
  106    HB2  GLU  14           HB3      GLU  14  -4.255   6.050  -4.943
  107    HB3  GLU  14           HB2      GLU  14  -5.830   6.178  -5.728
  108    HG2  GLU  14           HG3      GLU  14  -5.243   4.245  -7.174
  109    HG3  GLU  14           HG2      GLU  14  -3.709   4.092  -6.318
  110    H    PHE  15           H        PHE  15  -2.755   8.289  -5.530
  111    HA   PHE  15           HA       PHE  15  -4.733  10.486  -5.592
  112    HB2  PHE  15           HB3      PHE  15  -2.075  10.347  -4.144
  113    HB3  PHE  15           HB2      PHE  15  -3.364  11.519  -3.870
  114    HD1  PHE  15           HD1      PHE  15  -2.162   8.165  -3.213
  115    HD2  PHE  15           HD2      PHE  15  -5.581  10.744  -2.964
  116    HE1  PHE  15           HE1      PHE  15  -3.232   6.583  -1.639
  117    HE2  PHE  15           HE2      PHE  15  -6.657   9.166  -1.381
  118    HZ   PHE  15           HZ       PHE  15  -5.481   7.083  -0.717
  119    H    LEU  16           H        LEU  16  -1.169  10.389  -6.015
  120    HA   LEU  16           HA       LEU  16  -1.511  12.444  -8.168
  121    HB2  LEU  16           HB3      LEU  16   0.171  12.429  -5.741
  122    HB3  LEU  16           HB2      LEU  16   1.001  12.919  -7.218
  123    HG   LEU  16           HG       LEU  16  -0.788  14.575  -7.662
  124   HD11  LEU  16          HD11      LEU  16  -1.986  13.168  -5.353
  125   HD12  LEU  16          HD12      LEU  16  -2.771  14.025  -6.680
  126   HD13  LEU  16          HD13      LEU  16  -2.126  14.925  -5.307
  127   HD21  LEU  16          HD21      LEU  16   0.652  15.914  -6.554
  128   HD22  LEU  16          HD22      LEU  16   1.093  14.611  -5.451
  129   HD23  LEU  16          HD23      LEU  16  -0.302  15.631  -5.099
  130    HA   PRO  17           HA       PRO  17   0.896   8.928  -9.904
  131    HB2  PRO  17           HB3      PRO  17  -0.571   8.639 -12.180
  132    HB3  PRO  17           HB2      PRO  17  -1.011   7.876 -10.643
  133    HG2  PRO  17           HG3      PRO  17  -2.197  10.206 -11.990
  134    HG3  PRO  17           HG2      PRO  17  -2.934   9.031 -10.894
  135    HD2  PRO  17           HD3      PRO  17  -2.087  11.642 -10.221
  136    HD3  PRO  17           HD2      PRO  17  -2.557  10.360  -9.085
  137    H    ASP  18           H        ASP  18  -0.014  12.063 -11.108
  138    HA   ASP  18           HA       ASP  18   1.718  11.953 -13.459
  139    HB2  ASP  18           HB3      ASP  18   1.148  14.319 -13.699
  140    HB3  ASP  18           HB2      ASP  18  -0.312  13.392 -13.368
  141    H    VAL  19           H        VAL  19   2.321  12.063 -10.231
  142    HA   VAL  19           HA       VAL  19   4.796  13.709 -10.572
  143    HB   VAL  19           HB       VAL  19   3.347  12.976  -8.005
  144   HG11  VAL  19          HG11      VAL  19   5.963  14.135  -8.632
  145   HG12  VAL  19          HG12      VAL  19   5.356  13.500  -7.103
  146   HG13  VAL  19          HG13      VAL  19   5.001  15.163  -7.569
  147   HG21  VAL  19          HG21      VAL  19   1.941  14.642  -8.637
  148   HG22  VAL  19          HG22      VAL  19   3.007  15.157  -9.944
  149   HG23  VAL  19          HG23      VAL  19   3.289  15.728  -8.299
  150    H    ALA  20           H        ALA  20   6.778  12.697 -10.038
  151    HA   ALA  20           HA       ALA  20   6.885   9.869 -10.247
  152    HB1  ALA  20           HB1      ALA  20   9.217  10.658  -8.890
  153    HB2  ALA  20           HB2      ALA  20   8.762  12.046  -9.880
  154    HB3  ALA  20           HB3      ALA  20   9.023  10.472 -10.634
  155    HA   PRO  21           HA       PRO  21   5.524   9.196  -5.975
  156    HB2  PRO  21           HB3      PRO  21   5.787   6.439  -5.995
  157    HB3  PRO  21           HB2      PRO  21   4.351   7.328  -6.540
  158    HG2  PRO  21           HG3      PRO  21   6.494   6.050  -8.118
  159    HG3  PRO  21           HG2      PRO  21   4.784   6.292  -8.506
  160    HD2  PRO  21           HD3      PRO  21   6.841   7.785  -9.565
  161    HD3  PRO  21           HD2      PRO  21   5.160   8.351  -9.449
  162    H    ALA  22           H        ALA  22   8.498   8.031  -7.386
  163    HA   ALA  22           HA       ALA  22   9.735   7.161  -4.921
  164    HB1  ALA  22           HB1      ALA  22  11.507   8.198  -7.044
  165    HB2  ALA  22           HB2      ALA  22  10.385   6.945  -7.573
  166    HB3  ALA  22           HB3      ALA  22  11.506   6.624  -6.249
  167    H    ASP  23           H        ASP  23   8.995  10.224  -6.227
  168    HA   ASP  23           HA       ASP  23  11.177  11.658  -4.887
  169    HB2  ASP  23           HB3      ASP  23   8.655  12.620  -6.275
  170    HB3  ASP  23           HB2      ASP  23   9.894  13.689  -5.617
  171    H    VAL  24           H        VAL  24   8.570  10.074  -3.758
  172    HA   VAL  24           HA       VAL  24   7.892  12.116  -1.699
  173    HB   VAL  24           HB       VAL  24   6.550   9.457  -2.276
  174   HG11  VAL  24          HG11      VAL  24   5.998  10.063  -0.067
  175   HG12  VAL  24          HG12      VAL  24   4.669  10.731  -1.015
  176   HG13  VAL  24          HG13      VAL  24   5.968  11.784  -0.451
  177   HG21  VAL  24          HG21      VAL  24   6.380  12.072  -3.579
  178   HG22  VAL  24          HG22      VAL  24   4.820  11.516  -2.976
  179   HG23  VAL  24          HG23      VAL  24   5.737  10.517  -4.105
  180    H    ASP  25           H        ASP  25   8.466  11.760   0.439
  181    HA   ASP  25           HA       ASP  25  10.525   9.840   1.000
  182    HB2  ASP  25           HB3      ASP  25   8.771  11.479   2.854
  183    HB3  ASP  25           HB2      ASP  25  10.162  10.532   3.386
  184    H    VAL  26           H        VAL  26   9.646   7.778   0.425
  185    HA   VAL  26           HA       VAL  26   7.174   6.748   1.427
  186    HB   VAL  26           HB       VAL  26   8.030   4.559   0.796
  187   HG11  VAL  26          HG11      VAL  26   9.386   6.250  -1.244
  188   HG12  VAL  26          HG12      VAL  26   7.692   6.615  -0.917
  189   HG13  VAL  26          HG13      VAL  26   8.160   5.001  -1.454
  190   HG21  VAL  26          HG21      VAL  26  10.704   5.982   0.844
  191   HG22  VAL  26          HG22      VAL  26  10.467   4.428   0.046
  192   HG23  VAL  26          HG23      VAL  26  10.215   4.572   1.785
  193    H    ASP  27           H        ASP  27   9.783   7.747   3.169
  194    HA   ASP  27           HA       ASP  27   9.628   5.607   5.216
  195    HB2  ASP  27           HB3      ASP  27  11.346   8.099   5.007
  196    HB3  ASP  27           HB2      ASP  27  11.426   6.949   6.342
  197    H    LEU  28           H        LEU  28   7.727   8.072   4.422
  198    HA   LEU  28           HA       LEU  28   7.377   9.203   7.142
  199    HB2  LEU  28           HB3      LEU  28   7.351  10.691   5.126
  200    HB3  LEU  28           HB2      LEU  28   5.900   9.858   4.579
  201    HG   LEU  28           HG       LEU  28   5.082  10.462   7.056
  202   HD11  LEU  28          HD11      LEU  28   7.025  12.680   6.354
  203   HD12  LEU  28          HD12      LEU  28   7.245  11.511   7.656
  204   HD13  LEU  28          HD13      LEU  28   5.914  12.667   7.724
  205   HD21  LEU  28          HD21      LEU  28   5.129  12.256   4.619
  206   HD22  LEU  28          HD22      LEU  28   4.155  12.607   6.046
  207   HD23  LEU  28          HD23      LEU  28   3.854  11.142   5.111
  208    H    ASP  29           H        ASP  29   5.614   8.701   8.421
  209    HA   ASP  29           HA       ASP  29   4.143   6.311   7.890
  210    HB2  ASP  29           HB3      ASP  29   3.542   8.615   9.775
  211    HB3  ASP  29           HB2      ASP  29   2.680   7.076   9.782
  212    H    LEU  30           H        LEU  30   2.518   6.062   6.440
  213    HA   LEU  30           HA       LEU  30   1.452   8.285   4.971
  214    HB2  LEU  30           HB3      LEU  30  -0.126   6.585   4.028
  215    HB3  LEU  30           HB2      LEU  30   1.562   6.077   3.953
  216    HG   LEU  30           HG       LEU  30   0.303   5.332   6.476
  217   HD11  LEU  30          HD11      LEU  30  -0.859   4.295   3.875
  218   HD12  LEU  30          HD12      LEU  30  -1.726   5.125   5.168
  219   HD13  LEU  30          HD13      LEU  30  -1.082   3.504   5.437
  220   HD21  LEU  30          HD21      LEU  30   2.448   4.448   5.657
  221   HD22  LEU  30          HD22      LEU  30   1.639   3.770   4.245
  222   HD23  LEU  30          HD23      LEU  30   1.280   3.141   5.853
  223    H    VAL  31           H        VAL  31   0.859   7.528   8.108
  224    HA   VAL  31           HA       VAL  31  -1.934   7.474   8.425
  225    HB   VAL  31           HB       VAL  31  -0.109   7.430  10.249
  226   HG11  VAL  31          HG11      VAL  31  -0.570  10.419  10.212
  227   HG12  VAL  31          HG12      VAL  31   0.825   9.670   9.433
  228   HG13  VAL  31          HG13      VAL  31   0.598   9.513  11.175
  229   HG21  VAL  31          HG21      VAL  31  -2.179   7.310  11.232
  230   HG22  VAL  31          HG22      VAL  31  -2.799   8.695  10.331
  231   HG23  VAL  31          HG23      VAL  31  -1.778   8.949  11.747
  232    H    ASP  32           H        ASP  32   0.201  10.214   7.769
  233    HA   ASP  32           HA       ASP  32  -1.742  12.287   7.975
  234    HB2  ASP  32           HB3      ASP  32   0.647  12.016   6.116
  235    HB3  ASP  32           HB2      ASP  32  -0.286  13.500   6.317
  236    H    ASN  33           H        ASN  33  -0.969   9.972   5.453
  237    HA   ASN  33           HA       ASN  33  -2.974  11.079   3.611
  238    HB2  ASN  33           HB3      ASN  33  -1.297   8.571   3.415
  239    HB3  ASN  33           HB2      ASN  33  -2.281   9.252   2.122
  240   HD21  ASN  33          HD21      ASN  33   0.810   8.954   2.676
  241   HD22  ASN  33          HD22      ASN  33   1.409  10.482   2.246
  242    H    GLY  34           H        GLY  34  -3.575   9.859   6.341
  243    HA2  GLY  34           HA3      GLY  34  -4.757   7.374   6.326
  244    HA3  GLY  34           HA2      GLY  34  -5.482   8.744   7.168
  245    H    VAL  35           H        VAL  35  -5.567   9.977   4.272
  246    HA   VAL  35           HA       VAL  35  -8.318   9.644   3.786
  247    HB   VAL  35           HB       VAL  35  -6.049  10.201   1.852
  248   HG11  VAL  35          HG11      VAL  35  -7.897  11.087   0.373
  249   HG12  VAL  35          HG12      VAL  35  -9.051  10.295   1.446
  250   HG13  VAL  35          HG13      VAL  35  -7.881   9.333   0.543
  251   HG21  VAL  35          HG21      VAL  35  -6.811  11.776   3.838
  252   HG22  VAL  35          HG22      VAL  35  -8.139  12.162   2.744
  253   HG23  VAL  35          HG23      VAL  35  -6.473  12.457   2.246
  254    H    ILE  36           H        ILE  36  -5.583   7.675   2.757
  255    HA   ILE  36           HA       ILE  36  -7.064   5.965   0.968
  256    HB   ILE  36           HB       ILE  36  -4.494   6.285   1.189
  257   HG12  ILE  36          HG13      ILE  36  -5.959   3.685   0.787
  258   HG13  ILE  36          HG12      ILE  36  -5.178   4.715  -0.416
  259   HG21  ILE  36          HG21      ILE  36  -4.684   5.652   3.693
  260   HG22  ILE  36          HG22      ILE  36  -3.357   4.943   2.773
  261   HG23  ILE  36          HG23      ILE  36  -4.799   3.987   3.122
  262   HD11  ILE  36          HD11      ILE  36  -3.948   2.740   1.474
  263   HD12  ILE  36          HD12      ILE  36  -2.998   4.136   0.967
  264   HD13  ILE  36          HD13      ILE  36  -3.615   3.004  -0.237
  265    H    ASP  37           H        ASP  37  -6.776   6.141   4.405
  266    HA   ASP  37           HA       ASP  37  -7.148   3.467   5.184
  267    HB2  ASP  37           HB3      ASP  37  -8.271   5.976   6.456
  268    HB3  ASP  37           HB2      ASP  37  -8.219   4.395   7.230
  269    H    SER  38           H        SER  38  -9.565   5.755   3.953
  270    HA   SER  38           HA       SER  38 -11.593   3.570   4.222
  271    HB2  SER  38          2HB       SER  38 -11.698   6.442   4.773
  272    HB3  SER  38          1HB       SER  38 -13.029   5.877   3.768
  273    H    LEU  39           H        LEU  39 -11.174   6.473   2.158
  274    HA   LEU  39           HA       LEU  39 -12.671   5.373   0.000
  275    HB2  LEU  39           HB3      LEU  39 -10.600   7.558   0.095
  276    HB3  LEU  39           HB2      LEU  39 -11.476   7.149  -1.375
  277    HG   LEU  39           HG       LEU  39 -13.601   7.418   0.123
  278   HD11  LEU  39          HD11      LEU  39 -12.569   7.630   2.282
  279   HD12  LEU  39          HD12      LEU  39 -13.206   9.218   1.864
  280   HD13  LEU  39          HD13      LEU  39 -11.481   8.892   1.705
  281   HD21  LEU  39          HD21      LEU  39 -11.938   9.826  -0.667
  282   HD22  LEU  39          HD22      LEU  39 -13.687   9.801  -0.447
  283   HD23  LEU  39          HD23      LEU  39 -12.952   8.889  -1.764
  284    H    GLY  40           H        GLY  40  -9.141   5.661   0.389
  285    HA2  GLY  40           HA3      GLY  40  -8.583   4.123  -1.991
  286    HA3  GLY  40           HA2      GLY  40  -7.420   4.526  -0.734
  287    H    LEU  41           H        LEU  41  -8.812   3.343   1.457
  288    HA   LEU  41           HA       LEU  41  -7.853   0.683   1.353
  289    HB2  LEU  41           HB3      LEU  41  -8.340   1.934   3.440
  290    HB3  LEU  41           HB2      LEU  41 -10.063   1.801   3.104
  291    HG   LEU  41           HG       LEU  41  -8.276  -0.633   3.259
  292   HD11  LEU  41          HD11      LEU  41  -8.962  -0.872   5.603
  293   HD12  LEU  41          HD12      LEU  41  -9.830   0.657   5.518
  294   HD13  LEU  41          HD13      LEU  41  -8.072   0.631   5.371
  295   HD21  LEU  41          HD21      LEU  41 -10.792  -1.273   4.208
  296   HD22  LEU  41          HD22      LEU  41 -10.235  -1.553   2.561
  297   HD23  LEU  41          HD23      LEU  41 -11.163  -0.106   2.942
  298    H    LEU  42           H        LEU  42 -11.134   1.959   0.829
  299    HA   LEU  42           HA       LEU  42 -12.413  -0.567   0.496
  300    HB2  LEU  42           HB3      LEU  42 -13.593   1.649   0.706
  301    HB3  LEU  42           HB2      LEU  42 -13.098   2.013  -0.940
  302    HG   LEU  42           HG       LEU  42 -14.202  -0.277  -1.530
  303   HD11  LEU  42          HD11      LEU  42 -14.562  -0.339   1.200
  304   HD12  LEU  42          HD12      LEU  42 -15.479  -1.296   0.039
  305   HD13  LEU  42          HD13      LEU  42 -16.125   0.235   0.629
  306   HD21  LEU  42          HD21      LEU  42 -16.487   0.923  -1.560
  307   HD22  LEU  42          HD22      LEU  42 -15.158   1.711  -2.412
  308   HD23  LEU  42          HD23      LEU  42 -15.644   2.281  -0.814
  309    H    LYS  43           H        LYS  43 -10.824   1.579  -1.865
  310    HA   LYS  43           HA       LYS  43 -11.320  -0.144  -4.121
  311    HB2  LYS  43           HB3      LYS  43  -9.246   2.006  -3.667
  312    HB3  LYS  43           HB2      LYS  43  -9.561   1.240  -5.219
  313    HG2  LYS  43           HG3      LYS  43 -11.939   1.986  -5.060
  314    HG3  LYS  43           HG2      LYS  43 -11.532   2.852  -3.577
  315    HD2  LYS  43           HD3      LYS  43  -9.811   4.140  -4.855
  316    HD3  LYS  43           HD2      LYS  43 -10.359   3.343  -6.330
  317    HE2  LYS  43           HE3      LYS  43 -11.402   5.593  -5.989
  318    HE3  LYS  43           HE2      LYS  43 -12.585   4.288  -6.072
  319    HZ1  LYS  43           HZ1      LYS  43 -12.905   4.330  -3.780
  320    HZ2  LYS  43           HZ2      LYS  43 -12.821   5.974  -4.202
  321    HZ3  LYS  43           HZ3      LYS  43 -11.483   5.207  -3.489
  322    H    VAL  44           H        VAL  44  -8.601   0.225  -1.866
  323    HA   VAL  44           HA       VAL  44  -6.832  -1.583  -3.214
  324    HB   VAL  44           HB       VAL  44  -6.995  -0.758  -0.304
  325   HG11  VAL  44          HG11      VAL  44  -5.789  -2.846  -0.422
  326   HG12  VAL  44          HG12      VAL  44  -4.599  -1.555  -0.263
  327   HG13  VAL  44          HG13      VAL  44  -4.885  -2.303  -1.834
  328   HG21  VAL  44          HG21      VAL  44  -5.815   1.080  -0.912
  329   HG22  VAL  44          HG22      VAL  44  -6.315   0.704  -2.561
  330   HG23  VAL  44          HG23      VAL  44  -4.752   0.144  -1.966
  331    H    ILE  45           H        ILE  45  -9.134  -2.102  -0.534
  332    HA   ILE  45           HA       ILE  45  -8.523  -4.837  -0.091
  333    HB   ILE  45           HB       ILE  45 -10.795  -3.021   0.494
  334   HG12  ILE  45          HG13      ILE  45 -10.425  -3.823   2.735
  335   HG13  ILE  45          HG12      ILE  45  -9.479  -5.189   2.149
  336   HG21  ILE  45          HG21      ILE  45 -12.110  -5.034   1.357
  337   HG22  ILE  45          HG22      ILE  45 -11.082  -6.027   0.326
  338   HG23  ILE  45          HG23      ILE  45 -12.123  -4.794  -0.389
  339   HD11  ILE  45          HD11      ILE  45  -8.536  -2.489   1.341
  340   HD12  ILE  45          HD12      ILE  45  -7.607  -3.916   1.791
  341   HD13  ILE  45          HD13      ILE  45  -8.341  -2.913   3.039
  342    H    ALA  46           H        ALA  46 -11.035  -3.385  -2.183
  343    HA   ALA  46           HA       ALA  46 -11.924  -5.890  -3.263
  344    HB1  ALA  46           HB1      ALA  46 -12.996  -3.490  -3.374
  345    HB2  ALA  46           HB2      ALA  46 -13.248  -4.618  -4.706
  346    HB3  ALA  46           HB3      ALA  46 -12.040  -3.341  -4.849
  347    H    TRP  47           H        TRP  47  -9.325  -3.678  -4.141
  348    HA   TRP  47           HA       TRP  47  -8.781  -4.938  -6.698
  349    HB2  TRP  47           HB3      TRP  47  -8.005  -2.710  -6.496
  350    HB3  TRP  47           HB2      TRP  47  -7.254  -3.026  -4.932
  351    HD1  TRP  47           HD1      TRP  47  -6.880  -4.153  -8.614
  352    HE1  TRP  47           HE1      TRP  47  -4.386  -4.647  -9.048
  353    HE3  TRP  47           HE3      TRP  47  -4.996  -3.366  -3.934
  354    HZ2  TRP  47           HZ2      TRP  47  -1.918  -4.695  -7.602
  355    HZ3  TRP  47           HZ3      TRP  47  -2.573  -3.642  -3.491
  356    HH2  TRP  47           HH2      TRP  47  -1.033  -4.306  -5.318
  357    H    LEU  48           H        LEU  48  -7.279  -5.137  -3.465
  358    HA   LEU  48           HA       LEU  48  -5.191  -6.907  -4.143
  359    HB2  LEU  48           HB3      LEU  48  -5.523  -5.733  -1.929
  360    HB3  LEU  48           HB2      LEU  48  -6.743  -6.937  -1.546
  361    HG   LEU  48           HG       LEU  48  -4.857  -8.642  -2.184
  362   HD11  LEU  48          HD11      LEU  48  -2.710  -7.869  -2.258
  363   HD12  LEU  48          HD12      LEU  48  -3.017  -6.621  -1.051
  364   HD13  LEU  48          HD13      LEU  48  -3.496  -6.362  -2.727
  365   HD21  LEU  48          HD21      LEU  48  -3.913  -8.043   0.296
  366   HD22  LEU  48          HD22      LEU  48  -5.442  -8.878   0.017
  367   HD23  LEU  48          HD23      LEU  48  -5.428  -7.139   0.307
  368    H    GLU  49           H        GLU  49  -8.522  -7.666  -3.094
  369    HA   GLU  49           HA       GLU  49  -8.113 -10.522  -3.265
  370    HB2  GLU  49           HB3      GLU  49 -10.328 -10.698  -2.618
  371    HB3  GLU  49           HB2      GLU  49  -9.989  -9.069  -2.060
  372    HG2  GLU  49           HG3      GLU  49 -10.823  -8.246  -4.300
  373    HG3  GLU  49           HG2      GLU  49 -11.380  -9.887  -4.605
  374    H    ASP  50           H        ASP  50  -9.290  -8.035  -5.471
  375    HA   ASP  50           HA       ASP  50 -10.238  -9.785  -7.523
  376    HB2  ASP  50           HB3      ASP  50 -10.719  -7.336  -7.366
  377    HB3  ASP  50           HB2      ASP  50  -9.055  -7.029  -7.855
  378    H    ARG  51           H        ARG  51  -7.050  -8.316  -6.969
  379    HA   ARG  51           HA       ARG  51  -5.962  -9.544  -9.397
  380    HB2  ARG  51           HB3      ARG  51  -5.196  -7.323  -8.552
  381    HB3  ARG  51           HB2      ARG  51  -4.505  -8.133  -7.147
  382    HG2  ARG  51           HG3      ARG  51  -3.073  -9.489  -8.631
  383    HG3  ARG  51           HG2      ARG  51  -3.758  -8.674 -10.037
  384    HD2  ARG  51           HD3      ARG  51  -2.945  -6.499  -9.122
  385    HD3  ARG  51           HD2      ARG  51  -2.173  -7.375  -7.799
  386    HE   ARG  51           HE       ARG  51  -1.071  -8.620  -9.937
  387   HH11  ARG  51          HH11      ARG  51   0.690  -7.885 -11.145
  388   HH12  ARG  51          HH12      ARG  51   1.009  -6.184 -11.241
  389   HH21  ARG  51          HH21      ARG  51  -1.678  -5.295  -9.240
  390   HH22  ARG  51          HH22      ARG  51  -0.330  -4.721 -10.164
  391    H    PHE  52           H        PHE  52  -5.328  -9.941  -5.884
  392    HA   PHE  52           HA       PHE  52  -3.671 -12.283  -6.389
  393    HB2  PHE  52           HB3      PHE  52  -4.748 -11.035  -3.852
  394    HB3  PHE  52           HB2      PHE  52  -3.687 -12.441  -3.875
  395    HD1  PHE  52           HD1      PHE  52  -3.902  -8.830  -4.252
  396    HD2  PHE  52           HD2      PHE  52  -1.391 -12.260  -4.874
  397    HE1  PHE  52           HE1      PHE  52  -1.931  -7.344  -4.496
  398    HE2  PHE  52           HE2      PHE  52   0.579 -10.773  -5.117
  399    HZ   PHE  52           HZ       PHE  52   0.309  -8.316  -4.928
  400    H    GLY  53           H        GLY  53  -7.059 -11.734  -5.697
  401    HA2  GLY  53           HA3      GLY  53  -8.812 -13.330  -5.790
  402    HA3  GLY  53           HA2      GLY  53  -7.607 -14.565  -6.152
  403    H    ILE  54           H        ILE  54  -7.370 -12.435  -3.367
  404    HA   ILE  54           HA       ILE  54  -7.712 -14.834  -1.615
  405    HB   ILE  54           HB       ILE  54  -6.304 -12.215  -1.021
  406   HG12  ILE  54          HG13      ILE  54  -5.024 -14.897  -1.587
  407   HG13  ILE  54          HG12      ILE  54  -5.301 -13.705  -2.859
  408   HG21  ILE  54          HG21      ILE  54  -5.271 -13.785   0.772
  409   HG22  ILE  54          HG22      ILE  54  -6.661 -14.822   0.448
  410   HG23  ILE  54          HG23      ILE  54  -6.905 -13.180   1.041
  411   HD11  ILE  54          HD11      ILE  54  -3.705 -13.245  -0.322
  412   HD12  ILE  54          HD12      ILE  54  -4.006 -12.038  -1.573
  413   HD13  ILE  54          HD13      ILE  54  -3.033 -13.464  -1.938
  414    H    ALA  55           H        ALA  55  -9.332 -14.802  -0.092
  415    HA   ALA  55           HA       ALA  55 -11.399 -12.827  -0.213
  416    HB1  ALA  55           HB1      ALA  55 -12.513 -14.261   1.146
  417    HB2  ALA  55           HB2      ALA  55 -11.211 -14.274   2.336
  418    HB3  ALA  55           HB3      ALA  55 -11.129 -15.332   0.927
  419    H    ALA  56           H        ALA  56 -11.820 -11.047   1.127
  420    HA   ALA  56           HA       ALA  56  -9.578  -9.689   2.263
  421    HB1  ALA  56           HB1      ALA  56 -12.498  -9.254   2.097
  422    HB2  ALA  56           HB2      ALA  56 -11.174  -8.119   1.834
  423    HB3  ALA  56           HB3      ALA  56 -11.708  -8.485   3.474
  424    H    ASP  57           H        ASP  57 -11.983 -11.857   3.639
  425    HA   ASP  57           HA       ASP  57 -11.601 -11.326   6.389
  426    HB2  ASP  57           HB3      ASP  57 -12.202 -13.925   4.970
  427    HB3  ASP  57           HB2      ASP  57 -12.290 -13.721   6.718
  428    H    ASP  58           H        ASP  58  -9.677 -13.258   4.143
  429    HA   ASP  58           HA       ASP  58  -8.017 -14.621   5.956
  430    HB2  ASP  58           HB3      ASP  58  -7.368 -13.419   3.264
  431    HB3  ASP  58           HB2      ASP  58  -6.280 -14.497   4.135
  432    H    VAL  59           H        VAL  59  -7.919 -11.248   4.929
  433    HA   VAL  59           HA       VAL  59  -5.462 -10.821   6.538
  434    HB   VAL  59           HB       VAL  59  -6.987  -8.883   4.790
  435   HG11  VAL  59          HG11      VAL  59  -4.703  -8.654   6.608
  436   HG12  VAL  59          HG12      VAL  59  -5.684  -7.384   5.876
  437   HG13  VAL  59          HG13      VAL  59  -4.339  -8.088   4.978
  438   HG21  VAL  59          HG21      VAL  59  -4.948  -9.280   3.279
  439   HG22  VAL  59          HG22      VAL  59  -6.141 -10.578   3.346
  440   HG23  VAL  59          HG23      VAL  59  -4.640 -10.711   4.262
  441    H    GLU  60           H        GLU  60  -5.489  -9.698   8.459
  442    HA   GLU  60           HA       GLU  60  -8.081  -9.260   9.729
  443    HB2  GLU  60           HB3      GLU  60  -6.080 -10.101  10.973
  444    HB3  GLU  60           HB2      GLU  60  -5.316  -8.534  10.736
  445    HG2  GLU  60           HG3      GLU  60  -7.230  -7.462  11.893
  446    HG3  GLU  60           HG2      GLU  60  -7.906  -9.057  12.199
  447    H    LEU  61           H        LEU  61  -9.018  -7.268  10.222
  448    HA   LEU  61           HA       LEU  61  -7.981  -4.972   8.670
  449    HB2  LEU  61           HB3      LEU  61 -10.581  -5.228  10.207
  450    HB3  LEU  61           HB2      LEU  61 -10.181  -4.004   9.008
  451    HG   LEU  61           HG       LEU  61 -10.515  -6.966   8.528
  452   HD11  LEU  61          HD11      LEU  61 -12.400  -4.960   8.621
  453   HD12  LEU  61          HD12      LEU  61 -12.572  -6.466   7.719
  454   HD13  LEU  61          HD13      LEU  61 -11.993  -5.013   6.906
  455   HD21  LEU  61          HD21      LEU  61 -10.212  -6.089   6.069
  456   HD22  LEU  61          HD22      LEU  61  -8.786  -6.422   7.051
  457   HD23  LEU  61          HD23      LEU  61  -9.349  -4.764   6.850
  458    H    SER  62           H        SER  62  -7.195  -3.114   9.651
  459    HA   SER  62           HA       SER  62  -7.793  -2.270  12.291
  460    HB2  SER  62           HB3      SER  62  -6.507  -3.578  13.596
  461    HB3  SER  62           HB2      SER  62  -5.929  -4.448  12.178
  462    HG   SER  62           HG       SER  62  -4.363  -2.806  11.916
  463    HA   PRO  63           HA       PRO  63  -5.774   1.281  10.549
  464    HB2  PRO  63           HB3      PRO  63  -5.087   2.602  12.886
  465    HB3  PRO  63           HB2      PRO  63  -6.691   2.649  12.133
  466    HG2  PRO  63           HG3      PRO  63  -5.725   1.051  14.439
  467    HG3  PRO  63           HG2      PRO  63  -7.309   1.794  14.157
  468    HD2  PRO  63           HD3      PRO  63  -6.866  -0.875  13.839
  469    HD3  PRO  63           HD2      PRO  63  -8.067   0.018  12.880
  470    H    GLU  64           H        GLU  64  -4.119  -0.635  12.977
  471    HA   GLU  64           HA       GLU  64  -1.551   0.552  12.892
  472    HB2  GLU  64           HB3      GLU  64  -2.255  -1.255  14.470
  473    HB3  GLU  64           HB2      GLU  64  -2.159  -2.396  13.137
  474    HG2  GLU  64           HG3      GLU  64   0.221  -1.774  12.815
  475    HG3  GLU  64           HG2      GLU  64   0.108  -0.731  14.227
  476    H    HIS  65           H        HIS  65  -3.194  -1.492  10.586
  477    HA   HIS  65           HA       HIS  65  -0.884  -2.324   9.095
  478    HB2  HIS  65           HB3      HIS  65  -3.116  -3.390   8.884
  479    HB3  HIS  65           HB2      HIS  65  -3.734  -1.916   8.139
  480    HD1  HIS  65           HD1      HIS  65  -0.990  -4.501   7.547
  481    HD2  HIS  65           HD2      HIS  65  -3.363  -1.828   5.397
  482    HE1  HIS  65           HE1      HIS  65  -0.496  -4.913   5.094
  483    HE2  HIS  65           HE2      HIS  65  -1.930  -3.288   3.779
  484    H    PHE  66           H        PHE  66  -2.755   0.639   9.143
  485    HA   PHE  66           HA       PHE  66  -1.339   1.589   6.702
  486    HB2  PHE  66           HB3      PHE  66  -3.643   2.784   8.267
  487    HB3  PHE  66           HB2      PHE  66  -2.929   3.503   6.822
  488    HD1  PHE  66           HD1      PHE  66  -5.080   0.854   8.131
  489    HD2  PHE  66           HD2      PHE  66  -3.093   2.352   4.629
  490    HE1  PHE  66           HE1      PHE  66  -6.499  -0.596   6.705
  491    HE2  PHE  66           HE2      PHE  66  -4.513   0.904   3.204
  492    HZ   PHE  66           HZ       PHE  66  -6.214  -0.569   4.244
  493    H    ARG  67           H        ARG  67  -0.656   1.504   9.904
  494    HA   ARG  67           HA       ARG  67  -0.072   4.192  10.587
  495    HB2  ARG  67           HB3      ARG  67   0.014   2.351  12.222
  496    HB3  ARG  67           HB2      ARG  67   1.416   1.677  11.402
  497    HG2  ARG  67           HG3      ARG  67   2.230   2.919  13.293
  498    HG3  ARG  67           HG2      ARG  67   2.609   3.862  11.859
  499    HD2  ARG  67           HD3      ARG  67   0.779   5.369  12.256
  500    HD3  ARG  67           HD2      ARG  67   0.114   4.322  13.511
  501    HE   ARG  67           HE       ARG  67   2.387   6.163  13.807
  502   HH11  ARG  67          HH11      ARG  67   3.145   6.373  15.926
  503   HH12  ARG  67          HH12      ARG  67   2.620   5.250  17.135
  504   HH21  ARG  67          HH21      ARG  67   0.611   3.443  14.962
  505   HH22  ARG  67          HH22      ARG  67   1.184   3.591  16.590
  506    H    SER  68           H        SER  68   1.894   1.804   8.810
  507    HA   SER  68           HA       SER  68   3.441   4.055   7.678
  508    HB2  SER  68           HB3      SER  68   5.593   3.154   8.301
  509    HB3  SER  68           HB2      SER  68   4.635   3.314   9.770
  510    HG   SER  68           HG       SER  68   5.228   1.279   9.954
  511    H    ILE  69           H        ILE  69   4.609   3.433   5.737
  512    HA   ILE  69           HA       ILE  69   3.267   1.477   4.139
  513    HB   ILE  69           HB       ILE  69   5.963   2.801   3.725
  514   HG12  ILE  69          HG13      ILE  69   3.246   3.553   2.640
  515   HG13  ILE  69          HG12      ILE  69   4.013   4.348   4.006
  516   HG21  ILE  69          HG21      ILE  69   4.545   0.780   2.270
  517   HG22  ILE  69          HG22      ILE  69   6.100   1.522   1.894
  518   HG23  ILE  69          HG23      ILE  69   4.607   2.258   1.312
  519   HD11  ILE  69          HD11      ILE  69   5.258   4.124   1.256
  520   HD12  ILE  69          HD12      ILE  69   5.885   5.044   2.625
  521   HD13  ILE  69          HD13      ILE  69   4.389   5.545   1.836
  522    H    ARG  70           H        ARG  70   6.310   1.423   5.961
  523    HA   ARG  70           HA       ARG  70   7.325  -1.034   4.951
  524    HB2  ARG  70           HB3      ARG  70   8.614   0.561   6.371
  525    HB3  ARG  70           HB2      ARG  70   7.638   0.072   7.757
  526    HG2  ARG  70           HG3      ARG  70   8.405  -2.248   7.504
  527    HG3  ARG  70           HG2      ARG  70   9.356  -1.791   6.090
  528    HD2  ARG  70           HD3      ARG  70  10.854  -1.840   7.980
  529    HD3  ARG  70           HD2      ARG  70  10.590  -0.148   7.559
  530    HE   ARG  70           HE       ARG  70   8.649  -0.802   9.496
  531   HH11  ARG  70          HH11      ARG  70   9.013  -0.315  11.673
  532   HH12  ARG  70          HH12      ARG  70  10.636  -0.095  12.237
  533   HH21  ARG  70          HH21      ARG  70  12.075  -0.670   9.136
  534   HH22  ARG  70          HH22      ARG  70  12.369  -0.297  10.802
  535    H    SER  71           H        SER  71   5.077  -0.394   7.645
  536    HA   SER  71           HA       SER  71   4.950  -3.048   8.643
  537    HB2  SER  71           HB3      SER  71   2.693  -1.029   8.529
  538    HB3  SER  71           HB2      SER  71   2.833  -2.385   9.639
  539    HG   SER  71           HG       SER  71   4.222  -1.291  10.796
  540    H    ILE  72           H        ILE  72   3.101  -1.462   6.041
  541    HA   ILE  72           HA       ILE  72   1.390  -3.700   5.516
  542    HB   ILE  72           HB       ILE  72   2.286  -1.453   3.689
  543   HG12  ILE  72          HG13      ILE  72  -0.229  -1.737   5.362
  544   HG13  ILE  72          HG12      ILE  72   1.164  -0.760   5.830
  545   HG21  ILE  72          HG21      ILE  72   0.574  -3.783   3.322
  546   HG22  ILE  72          HG22      ILE  72   1.196  -2.650   2.123
  547   HG23  ILE  72          HG23      ILE  72  -0.281  -2.272   3.010
  548   HD11  ILE  72          HD11      ILE  72   0.910   0.642   3.865
  549   HD12  ILE  72          HD12      ILE  72  -0.643   0.564   4.698
  550   HD13  ILE  72          HD13      ILE  72  -0.373  -0.396   3.244
  551    H    ASP  73           H        ASP  73   4.524  -2.682   4.187
  552    HA   ASP  73           HA       ASP  73   4.690  -4.583   2.088
  553    HB2  ASP  73           HB3      ASP  73   6.267  -2.651   2.495
  554    HB3  ASP  73           HB2      ASP  73   7.012  -3.613   3.771
  555    H    ALA  74           H        ALA  74   5.589  -4.881   5.525
  556    HA   ALA  74           HA       ALA  74   6.770  -7.474   5.296
  557    HB1  ALA  74           HB1      ALA  74   7.229  -6.908   7.432
  558    HB2  ALA  74           HB2      ALA  74   5.568  -7.349   7.831
  559    HB3  ALA  74           HB3      ALA  74   5.964  -5.678   7.430
  560    H    PHE  75           H        PHE  75   3.432  -6.453   5.967
  561    HA   PHE  75           HA       PHE  75   2.386  -9.085   6.366
  562    HB2  PHE  75           HB3      PHE  75   1.185  -6.968   6.948
  563    HB3  PHE  75           HB2      PHE  75   0.939  -6.690   5.226
  564    HD1  PHE  75           HD1      PHE  75  -0.672  -7.956   3.958
  565    HD2  PHE  75           HD2      PHE  75   0.139  -8.929   8.062
  566    HE1  PHE  75           HE1      PHE  75  -2.652  -9.449   3.995
  567    HE2  PHE  75           HE2      PHE  75  -1.840 -10.422   8.099
  568    HZ   PHE  75           HZ       PHE  75  -3.235 -10.682   6.067
  569    H    VAL  76           H        VAL  76   2.615  -7.045   3.449
  570    HA   VAL  76           HA       VAL  76   1.354  -8.894   1.684
  571    HB   VAL  76           HB       VAL  76   3.388  -6.701   1.214
  572   HG11  VAL  76          HG11      VAL  76   2.580  -6.897  -1.181
  573   HG12  VAL  76          HG12      VAL  76   1.859  -8.441  -0.727
  574   HG13  VAL  76          HG13      VAL  76   3.605  -8.219  -0.625
  575   HG21  VAL  76          HG21      VAL  76   1.600  -5.317   1.196
  576   HG22  VAL  76          HG22      VAL  76   0.661  -6.653   1.861
  577   HG23  VAL  76          HG23      VAL  76   0.708  -6.390   0.118
  578    H    VAL  77           H        VAL  77   4.810  -8.383   2.482
  579    HA   VAL  77           HA       VAL  77   5.839 -10.343   0.699
  580    HB   VAL  77           HB       VAL  77   6.841  -9.229   3.326
  581   HG11  VAL  77          HG11      VAL  77   7.818 -11.399   3.219
  582   HG12  VAL  77          HG12      VAL  77   9.040 -10.295   2.591
  583   HG13  VAL  77          HG13      VAL  77   8.081 -11.273   1.481
  584   HG21  VAL  77          HG21      VAL  77   6.912  -7.631   1.532
  585   HG22  VAL  77          HG22      VAL  77   7.529  -8.834   0.400
  586   HG23  VAL  77          HG23      VAL  77   8.554  -8.247   1.710
  587    H    GLY  78           H        GLY  78   4.663 -10.596   4.038
  588    HA2  GLY  78           HA3      GLY  78   5.419 -13.277   4.537
  589    HA3  GLY  78           HA2      GLY  78   4.034 -12.480   5.281
  590    H    ALA  79           H        ALA  79   2.700 -11.978   2.688
  591    HA   ALA  79           HA       ALA  79   1.683 -14.742   2.293
  592    HB1  ALA  79           HB1      ALA  79  -0.297 -13.635   1.296
  593    HB2  ALA  79           HB2      ALA  79   0.471 -12.068   1.553
  594    HB3  ALA  79           HB3      ALA  79   0.016 -13.065   2.935
  595    H    THR  80           H        THR  80   2.530 -11.866   0.342
  596    HA   THR  80           HA       THR  80   3.508 -13.701  -1.768
  597    HB   THR  80           HB       THR  80   1.065 -13.117  -2.201
  598    HG1  THR  80           HG1      THR  80   2.967 -13.474  -3.785
  599   HG21  THR  80          HG21      THR  80   1.832 -10.591  -1.500
  600   HG22  THR  80          HG22      THR  80   0.388 -10.962  -2.443
  601   HG23  THR  80          HG23      THR  80   1.878 -10.487  -3.260
  602    H    THR  81           H        THR  81   4.935 -12.622  -3.293
  603    HA   THR  81           HA       THR  81   5.820  -9.904  -2.447
  604    HB   THR  81           HB       THR  81   7.461 -11.289  -1.460
  605    HG1  THR  81           HG1      THR  81   8.537 -10.884  -4.036
  606   HG21  THR  81          HG21      THR  81   7.107 -13.453  -2.186
  607   HG22  THR  81          HG22      THR  81   8.560 -13.063  -3.108
  608   HG23  THR  81          HG23      THR  81   6.977 -12.976  -3.880
  609    HA   PRO  82           HA       PRO  82   5.050 -10.034  -7.000
  610    HB2  PRO  82           HB3      PRO  82   4.508  -7.176  -6.699
  611    HB3  PRO  82           HB2      PRO  82   3.442  -8.460  -7.290
  612    HG2  PRO  82           HG3      PRO  82   3.112  -7.184  -4.910
  613    HG3  PRO  82           HG2      PRO  82   2.537  -8.824  -5.249
  614    HD2  PRO  82           HD3      PRO  82   4.901  -7.950  -3.649
  615    HD3  PRO  82           HD2      PRO  82   3.860  -9.377  -3.447
  616    HA   PRO  83           HA       PRO  83   8.932  -8.431  -8.363
  617    HB2  PRO  83           HB3      PRO  83   8.210  -7.317 -10.804
  618    HB3  PRO  83           HB2      PRO  83   8.529  -9.039 -10.528
  619    HG2  PRO  83           HG3      PRO  83   5.941  -7.601 -10.723
  620    HG3  PRO  83           HG2      PRO  83   6.377  -9.229 -11.268
  621    HD2  PRO  83           HD3      PRO  83   4.918  -8.793  -9.011
  622    HD3  PRO  83           HD2      PRO  83   6.028 -10.172  -9.180
  623    H    VAL  84           H        VAL  84  10.140  -6.472  -8.505
  624    HA   VAL  84           HA       VAL  84   8.558  -3.952  -8.173
  625    HB   VAL  84           HB       VAL  84   9.524  -4.740  -6.007
  626   HG11  VAL  84          HG11      VAL  84  11.802  -5.114  -5.712
  627   HG12  VAL  84          HG12      VAL  84  12.249  -4.103  -7.086
  628   HG13  VAL  84          HG13      VAL  84  11.577  -5.712  -7.356
  629   HG21  VAL  84          HG21      VAL  84  10.905  -2.273  -7.106
  630   HG22  VAL  84          HG22      VAL  84  10.540  -2.611  -5.414
  631   HG23  VAL  84          HG23      VAL  84   9.230  -2.307  -6.556
  632    H    GLU  85           H        GLU  85   9.356  -2.180  -9.304
  633    HA   GLU  85           HA       GLU  85  12.034  -1.997 -10.339
  634    HB2  GLU  85           HB3      GLU  85  11.047  -3.854 -11.775
  635    HB3  GLU  85           HB2      GLU  85   9.926  -2.654 -12.416
  636    HG2  GLU  85           HG3      GLU  85  11.857  -1.275 -13.157
  637    HG3  GLU  85           HG2      GLU  85  12.952  -2.523 -12.566
  638    H    ALA  86           H        ALA  86   8.926  -0.835  -9.765
  639    HA   ALA  86           HA       ALA  86   8.695   1.349 -11.563
  640    HB1  ALA  86           HB1      ALA  86   7.863   1.602  -8.684
  641    HB2  ALA  86           HB2      ALA  86   7.043   0.448  -9.737
  642    HB3  ALA  86           HB3      ALA  86   7.032   2.167 -10.134
  643    H    LYS  87           H        LYS  87  10.451   1.075  -8.482
  644    HA   LYS  87           HA       LYS  87  11.551   3.811  -8.956
  645    HB2  LYS  87           HB3      LYS  87  11.475   2.110  -6.449
  646    HB3  LYS  87           HB2      LYS  87  12.282   3.675  -6.564
  647    HG2  LYS  87           HG3      LYS  87  10.094   4.682  -7.273
  648    HG3  LYS  87           HG2      LYS  87   9.327   3.124  -6.958
  649    HD2  LYS  87           HD3      LYS  87  10.186   3.241  -4.603
  650    HD3  LYS  87           HD2      LYS  87  10.784   4.865  -4.946
  651    HE2  LYS  87           HE3      LYS  87   7.933   3.898  -4.815
  652    HE3  LYS  87           HE2      LYS  87   8.672   5.270  -3.989
  653    HZ1  LYS  87           HZ1      LYS  87   7.527   6.279  -5.689
  654    HZ2  LYS  87           HZ2      LYS  87   7.829   5.029  -6.798
  655    HZ3  LYS  87           HZ3      LYS  87   9.067   6.116  -6.382
  656    H    LEU  88           H        LEU  88  13.813   4.106  -9.004
  657    HA   LEU  88           HA       LEU  88  15.365   2.022 -10.153
  658    HB2  LEU  88           HB3      LEU  88  16.364   4.456  -8.643
  659    HB3  LEU  88           HB2      LEU  88  17.290   3.497  -9.798
  660    HG   LEU  88           HG       LEU  88  14.783   5.096 -10.404
  661   HD11  LEU  88          HD11      LEU  88  17.081   6.256 -10.064
  662   HD12  LEU  88          HD12      LEU  88  16.189   6.611 -11.543
  663   HD13  LEU  88          HD13      LEU  88  17.537   5.473 -11.576
  664   HD21  LEU  88          HD21      LEU  88  15.685   4.433 -12.816
  665   HD22  LEU  88          HD22      LEU  88  14.620   3.347 -11.923
  666   HD23  LEU  88          HD23      LEU  88  16.360   3.060 -11.938
  667    H    GLN  89           H        GLN  89  14.999   3.045  -6.780
  668    HA   GLN  89           HA       GLN  89  15.891   2.112  -4.807
  669    HB2  GLN  89           HB3      GLN  89  15.492  -0.410  -6.449
  670    HB3  GLN  89           HB2      GLN  89  15.657  -0.340  -4.694
  671    HG2  GLN  89           HG3      GLN  89  13.468   1.006  -6.302
  672    HG3  GLN  89           HG2      GLN  89  13.280  -0.474  -5.361
  673   HE21  GLN  89          HE21      GLN  89  12.494   2.673  -5.126
  674   HE22  GLN  89          HE22      GLN  89  12.683   2.926  -3.458
  675    H3   7V9 101          1H1       NIA 101 -12.075   4.608   9.885
  676    H4   7V9 101          2H1       NIA 101 -10.727   5.144   8.884
  677    H5   7V9 101          1HE1      NIA 101 -10.122   3.602  11.438
  678    H6   7V9 101          2HE1      NIA 101  -9.047   4.265  10.208
  679    H7   7V9 101          3HE1      NIA 101  -8.948   2.559  10.637
  680    H8   7V9 101          2HE2      NIA 101 -10.145   3.175   7.339
  681    H9   7V9 101          3HE2      NIA 101 -10.276   1.533   7.964
  682    H10  7V9 101          1HE2      NIA 101  -8.867   2.516   8.357
  683    H11  7V9 101          3H        NIA 101 -12.217   1.627   9.138
  684    H12  7V9 101          3HO       NIA 101 -12.168   2.316  11.798
  685    H13  7V9 101          5H        NIA 101  -8.980   0.953   9.917
  686    H14  7V9 101          1H6       NIA 101  -9.716  -1.666  10.351
  687    H15  7V9 101          2H6       NIA 101 -10.662  -1.215   8.933
  688    H16  7V9 101          1H7       NIA 101  -7.690  -1.483   9.224
  689    H17  7V9 101          2H7       NIA 101  -8.326  -0.320   8.060
  690    H18  7V9 101          9H        NIA 101  -6.969  -3.083   7.524
  691    H19  7V9 101          1H10      NIA 101  -8.876  -3.212   5.238
  692    H20  7V9 101          2H10      NIA 101  -7.346  -2.366   5.025
  693    H21  7V9 101          1H11      NIA 101  -7.772  -5.081   4.596
  694    H22  7V9 101          2H11      NIA 101  -6.984  -5.029   6.173
  695    H25  7V9 101          5H1       NIA 101  -3.085  -5.200   3.837
  696    H26  7V9 101          7H1       NIA 101  -1.761  -4.193  -0.014
  697    H27  7V9 101          8H1       NIA 101  -4.080  -4.296  -0.885
  698    H28  7V9 101          9H1       NIA 101  -5.924  -4.939   0.643
  Start of MODEL   16
    1    H1   MET   1           H1       MET   1  11.408  -4.664   2.880
    2    H2   MET   1           H2       MET   1  12.480  -3.358   3.065
    3    H3   MET   1           H3       MET   1  12.853  -4.622   1.993
    4    HA   MET   1           HA       MET   1  10.372  -3.109   1.585
    5    HB2  MET   1           HB3      MET   1  13.162  -2.205   0.815
    6    HB3  MET   1           HB2      MET   1  11.676  -1.522   0.152
    7    HG2  MET   1           HG3      MET   1  10.954  -0.970   2.485
    8    HG3  MET   1           HG2      MET   1  12.527  -1.518   3.060
    9    HE1  MET   1           HE1      MET   1  12.318   0.489   4.200
   10    HE2  MET   1           HE2      MET   1  11.688   1.962   3.468
   11    HE3  MET   1           HE3      MET   1  13.420   1.796   3.743
   12    H    GLN   2           H        GLN   2  10.929  -5.813   1.056
   13    HA   GLN   2           HA       GLN   2  12.081  -6.336  -1.492
   14    HB2  GLN   2           HB3      GLN   2   9.795  -7.751  -0.083
   15    HB3  GLN   2           HB2      GLN   2  10.678  -8.395  -1.468
   16    HG2  GLN   2           HG3      GLN   2  12.772  -8.333  -0.179
   17    HG3  GLN   2           HG2      GLN   2  11.909  -7.660   1.203
   18   HE21  GLN   2          HE21      GLN   2  13.271 -10.146   1.450
   19   HE22  GLN   2          HE22      GLN   2  12.122 -11.382   1.632
   20    H    HIS   3           H        HIS   3   8.803  -5.349  -0.568
   21    HA   HIS   3           HA       HIS   3   8.304  -4.685  -3.432
   22    HB2  HIS   3           HB3      HIS   3   6.261  -5.974  -1.601
   23    HB3  HIS   3           HB2      HIS   3   6.058  -5.591  -3.310
   24    HD1  HIS   3           HD1      HIS   3   7.658  -8.054  -0.993
   25    HD2  HIS   3           HD2      HIS   3   7.465  -7.343  -5.099
   26    HE1  HIS   3           HE1      HIS   3   8.595 -10.119  -2.125
   27    HE2  HIS   3           HE2      HIS   3   8.481  -9.697  -4.623
   28    H    ALA   4           H        ALA   4   8.789  -3.396  -0.572
   29    HA   ALA   4           HA       ALA   4   6.486  -1.867   0.078
   30    HB1  ALA   4           HB1      ALA   4   8.381  -1.976   1.596
   31    HB2  ALA   4           HB2      ALA   4   8.112  -0.291   1.150
   32    HB3  ALA   4           HB3      ALA   4   9.425  -1.202   0.405
   33    H    SER   5           H        SER   5   8.995  -1.347  -2.358
   34    HA   SER   5           HA       SER   5   8.375   1.367  -2.967
   35    HB2  SER   5           HB3      SER   5   9.520   0.987  -5.070
   36    HB3  SER   5           HB2      SER   5  10.375   0.099  -3.813
   37    HG   SER   5           HG       SER   5   9.599  -0.924  -5.985
   38    H    VAL   6           H        VAL   6   6.906  -1.670  -4.022
   39    HA   VAL   6           HA       VAL   6   5.235  -0.523  -6.059
   40    HB   VAL   6           HB       VAL   6   4.897  -3.011  -4.379
   41   HG11  VAL   6          HG11      VAL   6   2.712  -2.378  -5.167
   42   HG12  VAL   6          HG12      VAL   6   3.291  -3.663  -6.227
   43   HG13  VAL   6          HG13      VAL   6   3.344  -1.985  -6.766
   44   HG21  VAL   6          HG21      VAL   6   5.544  -2.943  -7.305
   45   HG22  VAL   6          HG22      VAL   6   5.973  -4.155  -6.098
   46   HG23  VAL   6          HG23      VAL   6   6.831  -2.614  -6.145
   47    H    ILE   7           H        ILE   7   4.831  -1.026  -2.589
   48    HA   ILE   7           HA       ILE   7   2.075  -0.299  -2.449
   49    HB   ILE   7           HB       ILE   7   4.259   0.041  -0.374
   50   HG12  ILE   7          HG13      ILE   7   2.253  -2.203  -0.761
   51   HG13  ILE   7          HG12      ILE   7   3.935  -2.282  -1.284
   52   HG21  ILE   7          HG21      ILE   7   2.300   1.357   0.210
   53   HG22  ILE   7          HG22      ILE   7   2.320  -0.091   1.217
   54   HG23  ILE   7          HG23      ILE   7   1.232   0.005  -0.168
   55   HD11  ILE   7          HD11      ILE   7   3.879  -1.384   1.434
   56   HD12  ILE   7          HD12      ILE   7   4.567  -2.872   0.789
   57   HD13  ILE   7          HD13      ILE   7   2.882  -2.832   1.306
   58    H    ALA   8           H        ALA   8   5.039   1.660  -2.162
   59    HA   ALA   8           HA       ALA   8   3.715   4.119  -1.557
   60    HB1  ALA   8           HB1      ALA   8   5.937   4.996  -2.794
   61    HB2  ALA   8           HB2      ALA   8   6.411   3.321  -2.516
   62    HB3  ALA   8           HB3      ALA   8   5.958   4.347  -1.155
   63    H    GLN   9           H        GLN   9   4.907   2.890  -4.706
   64    HA   GLN   9           HA       GLN   9   3.793   5.125  -6.154
   65    HB2  GLN   9           HB3      GLN   9   4.189   3.682  -8.181
   66    HB3  GLN   9           HB2      GLN   9   5.613   3.926  -7.171
   67    HG2  GLN   9           HG3      GLN   9   5.790   1.720  -6.776
   68    HG3  GLN   9           HG2      GLN   9   4.108   1.635  -6.262
   69   HE21  GLN   9          HE21      GLN   9   2.511   1.857  -8.301
   70   HE22  GLN   9          HE22      GLN   9   2.935   0.898  -9.636
   71    H    PHE  10           H        PHE  10   2.599   1.886  -5.376
   72    HA   PHE  10           HA       PHE  10   0.334   1.888  -7.086
   73    HB2  PHE  10           HB3      PHE  10   1.125  -0.088  -5.806
   74    HB3  PHE  10           HB2      PHE  10   0.555   0.670  -4.320
   75    HD1  PHE  10           HD1      PHE  10  -1.785   0.739  -3.768
   76    HD2  PHE  10           HD2      PHE  10  -0.480  -0.765  -7.574
   77    HE1  PHE  10           HE1      PHE  10  -4.056  -0.164  -4.190
   78    HE2  PHE  10           HE2      PHE  10  -2.752  -1.666  -7.997
   79    HZ   PHE  10           HZ       PHE  10  -4.538  -1.368  -6.304
   80    H    VAL  11           H        VAL  11   0.545   2.933  -3.669
   81    HA   VAL  11           HA       VAL  11  -2.168   3.952  -3.680
   82    HB   VAL  11           HB       VAL  11  -1.608   4.839  -1.473
   83   HG11  VAL  11          HG11      VAL  11  -1.243   2.775  -0.402
   84   HG12  VAL  11          HG12      VAL  11  -0.169   2.202  -1.680
   85   HG13  VAL  11          HG13      VAL  11  -1.907   2.304  -1.967
   86   HG21  VAL  11          HG21      VAL  11   0.859   4.251  -0.741
   87   HG22  VAL  11          HG22      VAL  11   0.529   5.757  -1.599
   88   HG23  VAL  11          HG23      VAL  11   1.179   4.370  -2.471
   89    H    VAL  12           H        VAL  12   1.052   5.436  -4.010
   90    HA   VAL  12           HA       VAL  12   0.187   8.152  -3.994
   91    HB   VAL  12           HB       VAL  12   2.552   6.846  -5.331
   92   HG11  VAL  12          HG11      VAL  12   2.599   8.826  -6.478
   93   HG12  VAL  12          HG12      VAL  12   3.291   9.424  -4.970
   94   HG13  VAL  12          HG13      VAL  12   1.573   9.646  -5.301
   95   HG21  VAL  12          HG21      VAL  12   3.686   7.195  -3.361
   96   HG22  VAL  12          HG22      VAL  12   2.061   7.060  -2.688
   97   HG23  VAL  12          HG23      VAL  12   2.769   8.650  -2.975
   98    H    GLU  13           H        GLU  13   0.472   5.827  -6.661
   99    HA   GLU  13           HA       GLU  13  -0.045   7.677  -8.758
  100    HB2  GLU  13           HB3      GLU  13  -0.454   4.713  -8.497
  101    HB3  GLU  13           HB2      GLU  13  -0.919   5.573  -9.957
  102    HG2  GLU  13           HG3      GLU  13   1.369   6.438 -10.196
  103    HG3  GLU  13           HG2      GLU  13   1.844   5.589  -8.731
  104    H    GLU  14           H        GLU  14  -2.203   5.978  -6.566
  105    HA   GLU  14           HA       GLU  14  -4.629   6.528  -8.000
  106    HB2  GLU  14           HB3      GLU  14  -4.140   6.064  -5.044
  107    HB3  GLU  14           HB2      GLU  14  -5.735   6.106  -5.799
  108    HG2  GLU  14           HG3      GLU  14  -5.053   4.242  -7.294
  109    HG3  GLU  14           HG2      GLU  14  -3.495   4.173  -6.469
  110    H    PHE  15           H        PHE  15  -2.726   8.395  -5.680
  111    HA   PHE  15           HA       PHE  15  -4.813  10.493  -5.600
  112    HB2  PHE  15           HB3      PHE  15  -2.092  10.453  -4.264
  113    HB3  PHE  15           HB2      PHE  15  -3.423  11.554  -3.913
  114    HD1  PHE  15           HD1      PHE  15  -1.909   8.426  -3.123
  115    HD2  PHE  15           HD2      PHE  15  -5.675  10.484  -3.171
  116    HE1  PHE  15           HE1      PHE  15  -2.829   6.770  -1.529
  117    HE2  PHE  15           HE2      PHE  15  -6.597   8.832  -1.568
  118    HZ   PHE  15           HZ       PHE  15  -5.175   6.976  -0.745
  119    H    LEU  16           H        LEU  16  -1.262  10.558  -6.152
  120    HA   LEU  16           HA       LEU  16  -1.769  12.589  -8.293
  121    HB2  LEU  16           HB3      LEU  16  -0.222  12.808  -5.823
  122    HB3  LEU  16           HB2      LEU  16   0.727  13.213  -7.253
  123    HG   LEU  16           HG       LEU  16  -2.034  14.343  -6.748
  124   HD11  LEU  16          HD11      LEU  16   0.682  15.273  -5.845
  125   HD12  LEU  16          HD12      LEU  16  -0.836  15.246  -4.948
  126   HD13  LEU  16          HD13      LEU  16  -0.579  16.450  -6.210
  127   HD21  LEU  16          HD21      LEU  16  -0.115  15.900  -8.298
  128   HD22  LEU  16          HD22      LEU  16  -1.743  15.381  -8.736
  129   HD23  LEU  16          HD23      LEU  16  -0.374  14.302  -8.998
  130    HA   PRO  17           HA       PRO  17   0.940   9.279 -10.003
  131    HB2  PRO  17           HB3      PRO  17  -0.443   8.981 -12.352
  132    HB3  PRO  17           HB2      PRO  17  -0.810   8.082 -10.871
  133    HG2  PRO  17           HG3      PRO  17  -2.255  10.309 -12.118
  134    HG3  PRO  17           HG2      PRO  17  -2.839   9.045 -11.027
  135    HD2  PRO  17           HD3      PRO  17  -2.256  11.733 -10.340
  136    HD3  PRO  17           HD2      PRO  17  -2.612  10.405  -9.217
  137    H    ASP  18           H        ASP  18  -0.029  12.414 -11.048
  138    HA   ASP  18           HA       ASP  18   1.626  12.496 -13.441
  139    HB2  ASP  18           HB3      ASP  18   0.350  14.665 -11.765
  140    HB3  ASP  18           HB2      ASP  18   1.213  14.968 -13.268
  141    H    VAL  19           H        VAL  19   2.313  12.357 -10.202
  142    HA   VAL  19           HA       VAL  19   4.874  13.870 -10.528
  143    HB   VAL  19           HB       VAL  19   3.457  13.097  -7.957
  144   HG11  VAL  19          HG11      VAL  19   6.112  14.062  -8.582
  145   HG12  VAL  19          HG12      VAL  19   5.442  13.597  -7.017
  146   HG13  VAL  19          HG13      VAL  19   5.248  15.249  -7.605
  147   HG21  VAL  19          HG21      VAL  19   2.070  14.794  -8.636
  148   HG22  VAL  19          HG22      VAL  19   3.262  15.457  -9.755
  149   HG23  VAL  19          HG23      VAL  19   3.383  15.804  -8.030
  150    H    ALA  20           H        ALA  20   6.797  12.719 -10.124
  151    HA   ALA  20           HA       ALA  20   6.731   9.897 -10.428
  152    HB1  ALA  20           HB1      ALA  20   8.728  11.936 -10.183
  153    HB2  ALA  20           HB2      ALA  20   8.909  10.302 -10.823
  154    HB3  ALA  20           HB3      ALA  20   9.149  10.607  -9.103
  155    HA   PRO  21           HA       PRO  21   5.512   9.106  -6.141
  156    HB2  PRO  21           HB3      PRO  21   5.715   6.349  -6.237
  157    HB3  PRO  21           HB2      PRO  21   4.293   7.277  -6.751
  158    HG2  PRO  21           HG3      PRO  21   6.424   6.025  -8.377
  159    HG3  PRO  21           HG2      PRO  21   4.705   6.250  -8.735
  160    HD2  PRO  21           HD3      PRO  21   6.701   7.790  -9.815
  161    HD3  PRO  21           HD2      PRO  21   5.029   8.356  -9.609
  162    H    ALA  22           H        ALA  22   8.419   7.861  -7.653
  163    HA   ALA  22           HA       ALA  22   9.689   6.945  -5.221
  164    HB1  ALA  22           HB1      ALA  22  11.049   7.890  -7.759
  165    HB2  ALA  22           HB2      ALA  22  10.354   6.280  -7.573
  166    HB3  ALA  22           HB3      ALA  22  11.697   6.784  -6.547
  167    H    ASP  23           H        ASP  23   9.032  10.034  -6.508
  168    HA   ASP  23           HA       ASP  23  11.304  11.380  -5.227
  169    HB2  ASP  23           HB3      ASP  23   8.796  12.441  -6.566
  170    HB3  ASP  23           HB2      ASP  23  10.092  13.460  -5.940
  171    H    VAL  24           H        VAL  24   8.689   9.899  -4.001
  172    HA   VAL  24           HA       VAL  24   8.105  12.002  -1.975
  173    HB   VAL  24           HB       VAL  24   6.718   9.345  -2.456
  174   HG11  VAL  24          HG11      VAL  24   6.498  10.242  -0.157
  175   HG12  VAL  24          HG12      VAL  24   4.962  10.310  -1.024
  176   HG13  VAL  24          HG13      VAL  24   5.925  11.774  -0.818
  177   HG21  VAL  24          HG21      VAL  24   6.337  10.724  -4.383
  178   HG22  VAL  24          HG22      VAL  24   6.115  12.164  -3.388
  179   HG23  VAL  24          HG23      VAL  24   4.901  10.885  -3.371
  180    H    ASP  25           H        ASP  25   8.742  11.712   0.147
  181    HA   ASP  25           HA       ASP  25  10.783   9.768   0.713
  182    HB2  ASP  25           HB3      ASP  25  10.590  10.598   3.052
  183    HB3  ASP  25           HB2      ASP  25  10.719  11.914   1.885
  184    H    VAL  26           H        VAL  26   9.712   7.744   0.176
  185    HA   VAL  26           HA       VAL  26   7.313   6.826   1.416
  186    HB   VAL  26           HB       VAL  26   8.022   4.597   0.761
  187   HG11  VAL  26          HG11      VAL  26   8.452   4.972  -1.589
  188   HG12  VAL  26          HG12      VAL  26   9.121   6.570  -1.261
  189   HG13  VAL  26          HG13      VAL  26   7.400   6.268  -1.022
  190   HG21  VAL  26          HG21      VAL  26  10.438   4.474  -0.239
  191   HG22  VAL  26          HG22      VAL  26  10.240   4.383   1.511
  192   HG23  VAL  26          HG23      VAL  26  10.741   5.897   0.758
  193    H    ASP  27           H        ASP  27  10.088   7.766   2.916
  194    HA   ASP  27           HA       ASP  27  10.119   5.659   4.985
  195    HB2  ASP  27           HB3      ASP  27  11.676   8.247   4.686
  196    HB3  ASP  27           HB2      ASP  27  11.902   7.101   6.007
  197    H    LEU  28           H        LEU  28   8.100   8.106   4.307
  198    HA   LEU  28           HA       LEU  28   7.810   9.127   7.075
  199    HB2  LEU  28           HB3      LEU  28   7.666  10.698   5.140
  200    HB3  LEU  28           HB2      LEU  28   6.242   9.828   4.577
  201    HG   LEU  28           HG       LEU  28   5.688  10.340   7.258
  202   HD11  LEU  28          HD11      LEU  28   6.200  12.621   7.689
  203   HD12  LEU  28          HD12      LEU  28   6.722  12.897   6.027
  204   HD13  LEU  28          HD13      LEU  28   7.707  11.913   7.109
  205   HD21  LEU  28          HD21      LEU  28   4.016  10.479   5.547
  206   HD22  LEU  28          HD22      LEU  28   4.904  11.740   4.690
  207   HD23  LEU  28          HD23      LEU  28   4.139  12.096   6.240
  208    H    ASP  29           H        ASP  29   6.064   8.582   8.376
  209    HA   ASP  29           HA       ASP  29   4.696   6.132   7.867
  210    HB2  ASP  29           HB3      ASP  29   4.001   8.417   9.744
  211    HB3  ASP  29           HB2      ASP  29   3.211   6.839   9.765
  212    H    LEU  30           H        LEU  30   3.073   5.796   6.429
  213    HA   LEU  30           HA       LEU  30   1.908   7.949   4.946
  214    HB2  LEU  30           HB3      LEU  30   0.556   6.270   3.876
  215    HB3  LEU  30           HB2      LEU  30   2.143   5.558   4.163
  216    HG   LEU  30           HG       LEU  30   0.768   5.000   6.509
  217   HD11  LEU  30          HD11      LEU  30  -1.399   4.248   5.977
  218   HD12  LEU  30          HD12      LEU  30  -1.078   4.258   4.244
  219   HD13  LEU  30          HD13      LEU  30  -1.286   5.778   5.111
  220   HD21  LEU  30          HD21      LEU  30   0.769   2.684   5.638
  221   HD22  LEU  30          HD22      LEU  30   2.290   3.503   5.281
  222   HD23  LEU  30          HD23      LEU  30   1.079   3.301   4.015
  223    H    VAL  31           H        VAL  31   1.374   7.203   8.107
  224    HA   VAL  31           HA       VAL  31  -1.409   7.107   8.465
  225    HB   VAL  31           HB       VAL  31   0.437   7.126  10.264
  226   HG11  VAL  31          HG11      VAL  31   1.127   9.235  11.144
  227   HG12  VAL  31          HG12      VAL  31  -0.064  10.107  10.181
  228   HG13  VAL  31          HG13      VAL  31   1.330   9.362   9.398
  229   HG21  VAL  31          HG21      VAL  31  -1.100   8.022  11.952
  230   HG22  VAL  31          HG22      VAL  31  -2.007   7.108  10.748
  231   HG23  VAL  31          HG23      VAL  31  -2.008   8.871  10.701
  232    H    ASP  32           H        ASP  32   0.668   9.878   7.738
  233    HA   ASP  32           HA       ASP  32  -1.328  11.911   7.926
  234    HB2  ASP  32           HB3      ASP  32   1.088  11.685   6.095
  235    HB3  ASP  32           HB2      ASP  32   0.119  13.148   6.278
  236    H    ASN  33           H        ASN  33  -0.478   9.576   5.452
  237    HA   ASN  33           HA       ASN  33  -2.428  10.623   3.526
  238    HB2  ASN  33           HB3      ASN  33  -0.863   8.032   3.489
  239    HB3  ASN  33           HB2      ASN  33  -1.721   8.749   2.128
  240   HD21  ASN  33          HD21      ASN  33  -0.291  11.164   4.072
  241   HD22  ASN  33          HD22      ASN  33   1.107  11.419   3.144
  242    H    GLY  34           H        GLY  34  -2.992   9.421   6.338
  243    HA2  GLY  34           HA3      GLY  34  -4.297   7.000   6.335
  244    HA3  GLY  34           HA2      GLY  34  -4.914   8.387   7.231
  245    H    VAL  35           H        VAL  35  -5.104   9.685   4.374
  246    HA   VAL  35           HA       VAL  35  -7.883   9.459   4.033
  247    HB   VAL  35           HB       VAL  35  -5.710   9.976   1.982
  248   HG11  VAL  35          HG11      VAL  35  -8.030  11.127   1.027
  249   HG12  VAL  35          HG12      VAL  35  -8.608   9.593   1.675
  250   HG13  VAL  35          HG13      VAL  35  -7.341   9.610   0.449
  251   HG21  VAL  35          HG21      VAL  35  -6.112  12.260   2.388
  252   HG22  VAL  35          HG22      VAL  35  -6.210  11.550   4.000
  253   HG23  VAL  35          HG23      VAL  35  -7.686  11.948   3.121
  254    H    ILE  36           H        ILE  36  -5.287   7.420   2.774
  255    HA   ILE  36           HA       ILE  36  -6.969   5.799   1.074
  256    HB   ILE  36           HB       ILE  36  -4.344   6.050   1.175
  257   HG12  ILE  36          HG13      ILE  36  -5.889   3.507   0.626
  258   HG13  ILE  36          HG12      ILE  36  -5.330   4.712  -0.535
  259   HG21  ILE  36          HG21      ILE  36  -4.454   5.128   3.600
  260   HG22  ILE  36          HG22      ILE  36  -3.205   4.488   2.532
  261   HG23  ILE  36          HG23      ILE  36  -4.671   3.553   2.837
  262   HD11  ILE  36          HD11      ILE  36  -3.737   2.630   0.934
  263   HD12  ILE  36          HD12      ILE  36  -2.950   4.104   0.370
  264   HD13  ILE  36          HD13      ILE  36  -3.731   3.026  -0.785
  265    H    ASP  37           H        ASP  37  -6.400   5.898   4.480
  266    HA   ASP  37           HA       ASP  37  -6.783   3.217   5.238
  267    HB2  ASP  37           HB3      ASP  37  -7.723   5.720   6.661
  268    HB3  ASP  37           HB2      ASP  37  -7.638   4.119   7.388
  269    H    SER  38           H        SER  38  -9.218   5.578   4.216
  270    HA   SER  38           HA       SER  38 -11.273   3.442   4.637
  271    HB2  SER  38          2HB       SER  38 -11.919   6.371   4.442
  272    HB3  SER  38          1HB       SER  38 -12.878   5.076   5.156
  273    H    LEU  39           H        LEU  39 -10.992   6.400   2.622
  274    HA   LEU  39           HA       LEU  39 -12.702   5.389   0.590
  275    HB2  LEU  39           HB3      LEU  39 -12.059   7.795   0.881
  276    HB3  LEU  39           HB2      LEU  39 -10.472   7.393   0.234
  277    HG   LEU  39           HG       LEU  39 -12.751   6.470  -1.404
  278   HD11  LEU  39          HD11      LEU  39 -13.165   8.709  -2.347
  279   HD12  LEU  39          HD12      LEU  39 -12.075   9.417  -1.156
  280   HD13  LEU  39          HD13      LEU  39 -13.584   8.668  -0.636
  281   HD21  LEU  39          HD21      LEU  39 -11.273   7.383  -3.198
  282   HD22  LEU  39          HD22      LEU  39 -10.432   6.236  -2.156
  283   HD23  LEU  39          HD23      LEU  39 -10.169   7.969  -1.954
  284    H    GLY  40           H        GLY  40  -9.149   5.561   0.662
  285    HA2  GLY  40           HA3      GLY  40  -8.846   4.041  -1.773
  286    HA3  GLY  40           HA2      GLY  40  -7.568   4.414  -0.625
  287    H    LEU  41           H        LEU  41  -8.790   3.227   1.675
  288    HA   LEU  41           HA       LEU  41  -7.852   0.569   1.451
  289    HB2  LEU  41           HB3      LEU  41  -8.179   1.813   3.595
  290    HB3  LEU  41           HB2      LEU  41  -9.917   1.599   3.410
  291    HG   LEU  41           HG       LEU  41  -9.490  -0.894   3.277
  292   HD11  LEU  41          HD11      LEU  41  -7.082  -1.063   4.694
  293   HD12  LEU  41          HD12      LEU  41  -6.755   0.090   3.401
  294   HD13  LEU  41          HD13      LEU  41  -7.343  -1.526   3.013
  295   HD21  LEU  41          HD21      LEU  41  -8.460   0.247   5.873
  296   HD22  LEU  41          HD22      LEU  41  -9.517  -1.142   5.627
  297   HD23  LEU  41          HD23      LEU  41 -10.136   0.489   5.379
  298    H    LEU  42           H        LEU  42 -11.191   1.821   1.258
  299    HA   LEU  42           HA       LEU  42 -12.440  -0.730   0.963
  300    HB2  LEU  42           HB3      LEU  42 -13.242   2.013  -0.025
  301    HB3  LEU  42           HB2      LEU  42 -14.277   0.602  -0.162
  302    HG   LEU  42           HG       LEU  42 -13.134   1.652   2.439
  303   HD11  LEU  42          HD11      LEU  42 -15.972   1.794   2.339
  304   HD12  LEU  42          HD12      LEU  42 -15.365   2.544   0.862
  305   HD13  LEU  42          HD13      LEU  42 -14.830   3.135   2.435
  306   HD21  LEU  42          HD21      LEU  42 -13.627  -0.484   3.038
  307   HD22  LEU  42          HD22      LEU  42 -14.631  -0.749   1.614
  308   HD23  LEU  42          HD23      LEU  42 -15.297   0.080   3.019
  309    H    LYS  43           H        LYS  43 -11.150   1.554  -1.448
  310    HA   LYS  43           HA       LYS  43 -11.885   0.024  -3.742
  311    HB2  LYS  43           HB3      LYS  43  -9.575   1.927  -3.307
  312    HB3  LYS  43           HB2      LYS  43 -10.078   1.313  -4.877
  313    HG2  LYS  43           HG3      LYS  43 -12.349   2.277  -4.484
  314    HG3  LYS  43           HG2      LYS  43 -11.750   2.985  -2.983
  315    HD2  LYS  43           HD3      LYS  43  -9.999   4.190  -4.298
  316    HD3  LYS  43           HD2      LYS  43 -10.726   3.562  -5.778
  317    HE2  LYS  43           HE3      LYS  43 -12.274   5.169  -3.732
  318    HE3  LYS  43           HE2      LYS  43 -11.478   5.897  -5.127
  319    HZ1  LYS  43           HZ1      LYS  43 -13.974   5.030  -5.187
  320    HZ2  LYS  43           HZ2      LYS  43 -13.185   3.596  -5.649
  321    HZ3  LYS  43           HZ3      LYS  43 -12.969   5.018  -6.554
  322    H    VAL  44           H        VAL  44  -9.134  -0.094  -1.550
  323    HA   VAL  44           HA       VAL  44  -7.484  -1.861  -3.071
  324    HB   VAL  44           HB       VAL  44  -7.730  -1.475  -0.075
  325   HG11  VAL  44          HG11      VAL  44  -5.650  -2.921  -1.736
  326   HG12  VAL  44          HG12      VAL  44  -6.691  -3.624  -0.500
  327   HG13  VAL  44          HG13      VAL  44  -5.428  -2.480  -0.045
  328   HG21  VAL  44          HG21      VAL  44  -6.594   0.432  -0.457
  329   HG22  VAL  44          HG22      VAL  44  -6.644   0.117  -2.191
  330   HG23  VAL  44          HG23      VAL  44  -5.304  -0.495  -1.223
  331    H    ILE  45           H        ILE  45 -10.089  -2.522  -0.729
  332    HA   ILE  45           HA       ILE  45  -9.725  -5.324  -0.539
  333    HB   ILE  45           HB       ILE  45 -12.342  -3.788  -0.517
  334   HG12  ILE  45          HG13      ILE  45 -10.865  -2.808   1.123
  335   HG13  ILE  45          HG12      ILE  45 -11.993  -3.847   1.985
  336   HG21  ILE  45          HG21      ILE  45 -12.188  -6.030   1.271
  337   HG22  ILE  45          HG22      ILE  45 -11.769  -6.550  -0.360
  338   HG23  ILE  45          HG23      ILE  45 -13.311  -5.752  -0.060
  339   HD11  ILE  45          HD11      ILE  45  -9.079  -4.304   1.396
  340   HD12  ILE  45          HD12      ILE  45 -10.150  -5.677   1.675
  341   HD13  ILE  45          HD13      ILE  45  -9.939  -4.455   2.928
  342    H    ALA  46           H        ALA  46 -11.815  -3.477  -2.791
  343    HA   ALA  46           HA       ALA  46 -12.654  -5.812  -4.251
  344    HB1  ALA  46           HB1      ALA  46 -12.751  -3.636  -6.023
  345    HB2  ALA  46           HB2      ALA  46 -13.010  -2.934  -4.426
  346    HB3  ALA  46           HB3      ALA  46 -14.066  -4.222  -5.004
  347    H    TRP  47           H        TRP  47  -9.967  -3.534  -4.657
  348    HA   TRP  47           HA       TRP  47  -9.105  -4.601  -7.199
  349    HB2  TRP  47           HB3      TRP  47  -8.342  -2.412  -6.657
  350    HB3  TRP  47           HB2      TRP  47  -7.751  -2.929  -5.078
  351    HD1  TRP  47           HD1      TRP  47  -7.016  -3.504  -8.825
  352    HE1  TRP  47           HE1      TRP  47  -4.511  -4.059  -9.073
  353    HE3  TRP  47           HE3      TRP  47  -5.644  -3.626  -3.909
  354    HZ2  TRP  47           HZ2      TRP  47  -2.225  -4.492  -7.408
  355    HZ3  TRP  47           HZ3      TRP  47  -3.300  -4.112  -3.268
  356    HH2  TRP  47           HH2      TRP  47  -1.590  -4.545  -5.011
  357    H    LEU  48           H        LEU  48  -8.075  -5.158  -3.837
  358    HA   LEU  48           HA       LEU  48  -5.945  -6.925  -4.394
  359    HB2  LEU  48           HB3      LEU  48  -6.518  -5.936  -2.151
  360    HB3  LEU  48           HB2      LEU  48  -7.848  -7.077  -2.042
  361    HG   LEU  48           HG       LEU  48  -6.023  -8.874  -2.513
  362   HD11  LEU  48          HD11      LEU  48  -4.151  -7.134  -1.059
  363   HD12  LEU  48          HD12      LEU  48  -4.448  -6.638  -2.724
  364   HD13  LEU  48          HD13      LEU  48  -3.842  -8.259  -2.381
  365   HD21  LEU  48          HD21      LEU  48  -6.858  -9.161  -0.406
  366   HD22  LEU  48          HD22      LEU  48  -6.794  -7.436  -0.046
  367   HD23  LEU  48          HD23      LEU  48  -5.336  -8.419   0.090
  368    H    GLU  49           H        GLU  49  -9.395  -7.653  -3.813
  369    HA   GLU  49           HA       GLU  49  -9.099 -10.491  -4.199
  370    HB2  GLU  49           HB3      GLU  49 -11.059  -9.516  -3.064
  371    HB3  GLU  49           HB2      GLU  49 -11.544  -8.730  -4.560
  372    HG2  GLU  49           HG3      GLU  49 -11.733 -10.952  -5.636
  373    HG3  GLU  49           HG2      GLU  49 -11.322 -11.709  -4.103
  374    H    ASP  50           H        ASP  50  -9.801  -7.790  -6.367
  375    HA   ASP  50           HA       ASP  50 -10.410  -9.380  -8.673
  376    HB2  ASP  50           HB3      ASP  50 -10.936  -6.946  -8.403
  377    HB3  ASP  50           HB2      ASP  50  -9.217  -6.609  -8.604
  378    H    ARG  51           H        ARG  51  -7.372  -7.943  -7.507
  379    HA   ARG  51           HA       ARG  51  -5.904  -9.042  -9.802
  380    HB2  ARG  51           HB3      ARG  51  -5.368  -6.813  -8.815
  381    HB3  ARG  51           HB2      ARG  51  -4.834  -7.632  -7.346
  382    HG2  ARG  51           HG3      ARG  51  -3.164  -8.894  -8.666
  383    HG3  ARG  51           HG2      ARG  51  -3.680  -8.042 -10.122
  384    HD2  ARG  51           HD3      ARG  51  -3.092  -5.881  -9.007
  385    HD3  ARG  51           HD2      ARG  51  -2.458  -6.798  -7.641
  386    HE   ARG  51           HE       ARG  51  -1.112  -6.395 -10.169
  387   HH11  ARG  51          HH11      ARG  51   0.849  -7.483 -10.452
  388   HH12  ARG  51          HH12      ARG  51   1.242  -8.815  -9.418
  389   HH21  ARG  51          HH21      ARG  51  -1.700  -8.611  -7.594
  390   HH22  ARG  51          HH22      ARG  51  -0.201  -9.454  -7.800
  391    H    PHE  52           H        PHE  52  -5.514  -9.416  -6.243
  392    HA   PHE  52           HA       PHE  52  -3.821 -11.749  -6.643
  393    HB2  PHE  52           HB3      PHE  52  -4.993 -10.450  -4.179
  394    HB3  PHE  52           HB2      PHE  52  -3.943 -11.864  -4.122
  395    HD1  PHE  52           HD1      PHE  52  -4.121  -8.263  -4.695
  396    HD2  PHE  52           HD2      PHE  52  -1.597 -11.729  -4.933
  397    HE1  PHE  52           HE1      PHE  52  -2.129  -6.799  -4.888
  398    HE2  PHE  52           HE2      PHE  52   0.396 -10.265  -5.127
  399    HZ   PHE  52           HZ       PHE  52   0.129  -7.800  -5.105
  400    H    GLY  53           H        GLY  53  -7.245 -11.294  -6.241
  401    HA2  GLY  53           HA3      GLY  53  -8.915 -12.983  -6.390
  402    HA3  GLY  53           HA2      GLY  53  -7.630 -14.186  -6.472
  403    H    ILE  54           H        ILE  54  -7.856 -11.757  -3.936
  404    HA   ILE  54           HA       ILE  54  -8.167 -13.971  -1.968
  405    HB   ILE  54           HB       ILE  54  -7.292 -11.098  -1.542
  406   HG12  ILE  54          HG13      ILE  54  -5.592 -13.605  -1.536
  407   HG13  ILE  54          HG12      ILE  54  -5.777 -12.581  -2.961
  408   HG21  ILE  54          HG21      ILE  54  -6.341 -12.366   0.581
  409   HG22  ILE  54          HG22      ILE  54  -7.654 -13.490   0.229
  410   HG23  ILE  54          HG23      ILE  54  -8.009 -11.793   0.556
  411   HD11  ILE  54          HD11      ILE  54  -3.750 -12.066  -1.511
  412   HD12  ILE  54          HD12      ILE  54  -4.882 -11.507  -0.278
  413   HD13  ILE  54          HD13      ILE  54  -4.812 -10.697  -1.843
  414    H    ALA  55           H        ALA  55  -9.877 -13.951  -0.501
  415    HA   ALA  55           HA       ALA  55 -12.293 -12.644  -1.251
  416    HB1  ALA  55           HB1      ALA  55 -12.361 -13.276   1.541
  417    HB2  ALA  55           HB2      ALA  55 -11.466 -14.546   0.706
  418    HB3  ALA  55           HB3      ALA  55 -13.110 -14.149   0.205
  419    H    ALA  56           H        ALA  56 -13.322 -10.820  -0.420
  420    HA   ALA  56           HA       ALA  56 -11.657  -8.665   0.473
  421    HB1  ALA  56           HB1      ALA  56 -13.562  -7.943  -0.667
  422    HB2  ALA  56           HB2      ALA  56 -14.021  -7.644   1.010
  423    HB3  ALA  56           HB3      ALA  56 -14.617  -9.079   0.175
  424    H    ASP  57           H        ASP  57 -13.279 -11.193   2.173
  425    HA   ASP  57           HA       ASP  57 -13.858 -10.022   4.653
  426    HB2  ASP  57           HB3      ASP  57 -12.745 -12.760   4.031
  427    HB3  ASP  57           HB2      ASP  57 -13.347 -12.290   5.618
  428    H    ASP  58           H        ASP  58 -10.738 -11.082   3.348
  429    HA   ASP  58           HA       ASP  58  -8.566 -10.757   4.172
  430    HB2  ASP  58           HB3      ASP  58 -10.014  -8.332   5.235
  431    HB3  ASP  58           HB2      ASP  58  -8.267  -8.538   5.362
  432    H    VAL  59           H        VAL  59  -7.315 -10.406   6.337
  433    HA   VAL  59           HA       VAL  59  -8.918 -11.428   8.633
  434    HB   VAL  59           HB       VAL  59  -7.884 -13.377   7.602
  435   HG11  VAL  59          HG11      VAL  59  -5.322 -11.778   7.876
  436   HG12  VAL  59          HG12      VAL  59  -6.104 -12.258   6.369
  437   HG13  VAL  59          HG13      VAL  59  -5.395 -13.482   7.423
  438   HG21  VAL  59          HG21      VAL  59  -7.932 -13.162  10.107
  439   HG22  VAL  59          HG22      VAL  59  -6.282 -12.543  10.039
  440   HG23  VAL  59          HG23      VAL  59  -6.627 -14.191   9.516
  441    H    GLU  60           H        GLU  60  -8.237 -10.682  10.632
  442    HA   GLU  60           HA       GLU  60  -7.223  -9.181  12.119
  443    HB2  GLU  60           HB3      GLU  60  -5.381 -10.833  11.791
  444    HB3  GLU  60           HB2      GLU  60  -4.757  -9.833  10.485
  445    HG2  GLU  60           HG3      GLU  60  -4.562  -7.939  12.075
  446    HG3  GLU  60           HG2      GLU  60  -5.085  -9.007  13.371
  447    H    LEU  61           H        LEU  61  -8.465  -7.415  11.012
  448    HA   LEU  61           HA       LEU  61  -6.738  -5.668   9.327
  449    HB2  LEU  61           HB3      LEU  61  -9.404  -4.641   9.627
  450    HB3  LEU  61           HB2      LEU  61  -8.616  -5.228   8.166
  451    HG   LEU  61           HG       LEU  61 -10.005  -6.969  10.211
  452   HD11  LEU  61          HD11      LEU  61 -11.651  -7.310   8.359
  453   HD12  LEU  61          HD12      LEU  61 -10.816  -6.061   7.436
  454   HD13  LEU  61          HD13      LEU  61 -11.618  -5.650   8.952
  455   HD21  LEU  61          HD21      LEU  61  -8.020  -7.600   8.311
  456   HD22  LEU  61          HD22      LEU  61  -9.544  -8.127   7.597
  457   HD23  LEU  61          HD23      LEU  61  -9.056  -8.733   9.179
  458    H    SER  62           H        SER  62  -5.872  -3.857  10.277
  459    HA   SER  62           HA       SER  62  -7.330  -2.500  12.427
  460    HB2  SER  62           HB3      SER  62  -5.454  -4.460  13.129
  461    HB3  SER  62           HB2      SER  62  -4.605  -2.931  13.339
  462    HG   SER  62           HG       SER  62  -7.193  -3.523  14.353
  463    HA   PRO  63           HA       PRO  63  -5.368   0.987  10.519
  464    HB2  PRO  63           HB3      PRO  63  -5.188   2.676  12.709
  465    HB3  PRO  63           HB2      PRO  63  -6.649   2.441  11.734
  466    HG2  PRO  63           HG3      PRO  63  -5.918   1.276  14.364
  467    HG3  PRO  63           HG2      PRO  63  -7.498   1.799  13.755
  468    HD2  PRO  63           HD3      PRO  63  -6.789  -0.824  13.892
  469    HD3  PRO  63           HD2      PRO  63  -7.885  -0.196  12.642
  470    H    GLU  64           H        GLU  64  -3.957  -0.427  13.397
  471    HA   GLU  64           HA       GLU  64  -1.521   1.035  13.492
  472    HB2  GLU  64           HB3      GLU  64  -2.093  -1.830  14.244
  473    HB3  GLU  64           HB2      GLU  64  -0.627  -0.964  14.677
  474    HG2  GLU  64           HG3      GLU  64  -2.006   0.729  15.844
  475    HG3  GLU  64           HG2      GLU  64  -3.444  -0.211  15.467
  476    H    HIS  65           H        HIS  65  -2.565  -1.642  11.490
  477    HA   HIS  65           HA       HIS  65   0.021  -2.377  10.477
  478    HB2  HIS  65           HB3      HIS  65  -1.882  -3.887  10.310
  479    HB3  HIS  65           HB2      HIS  65  -2.749  -2.728   9.303
  480    HD1  HIS  65           HD1      HIS  65  -2.281  -2.770   6.826
  481    HD2  HIS  65           HD2      HIS  65   0.519  -4.977   8.994
  482    HE1  HIS  65           HE1      HIS  65  -0.848  -3.981   5.123
  483    HE2  HIS  65           HE2      HIS  65   0.861  -5.323   6.431
  484    H    PHE  66           H        PHE  66  -2.212   0.187   9.594
  485    HA   PHE  66           HA       PHE  66  -0.744   0.657   7.064
  486    HB2  PHE  66           HB3      PHE  66  -3.171   2.027   8.249
  487    HB3  PHE  66           HB2      PHE  66  -2.488   2.373   6.661
  488    HD1  PHE  66           HD1      PHE  66  -2.517   0.650   4.873
  489    HD2  PHE  66           HD2      PHE  66  -4.454   0.026   8.654
  490    HE1  PHE  66           HE1      PHE  66  -3.790  -1.246   3.906
  491    HE2  PHE  66           HE2      PHE  66  -5.728  -1.870   7.688
  492    HZ   PHE  66           HZ       PHE  66  -5.397  -2.505   5.315
  493    H    ARG  67           H        ARG  67  -0.096   1.425  10.162
  494    HA   ARG  67           HA       ARG  67   0.254   4.248  10.167
  495    HB2  ARG  67           HB3      ARG  67   1.847   2.094  11.584
  496    HB3  ARG  67           HB2      ARG  67   1.961   3.816  11.938
  497    HG2  ARG  67           HG3      ARG  67  -0.707   2.454  11.952
  498    HG3  ARG  67           HG2      ARG  67   0.342   2.345  13.363
  499    HD2  ARG  67           HD3      ARG  67   0.490   4.872  13.328
  500    HD3  ARG  67           HD2      ARG  67  -0.759   4.864  12.084
  501    HE   ARG  67           HE       ARG  67  -1.497   3.368  14.482
  502   HH11  ARG  67          HH11      ARG  67  -3.211   4.245  15.666
  503   HH12  ARG  67          HH12      ARG  67  -3.723   5.869  15.350
  504   HH21  ARG  67          HH21      ARG  67  -1.367   6.409  12.863
  505   HH22  ARG  67          HH22      ARG  67  -2.679   7.095  13.762
  506    H    SER  68           H        SER  68   2.378   1.666   8.951
  507    HA   SER  68           HA       SER  68   3.992   3.813   7.635
  508    HB2  SER  68           HB3      SER  68   6.042   2.595   8.116
  509    HB3  SER  68           HB2      SER  68   5.192   2.899   9.629
  510    HG   SER  68           HG       SER  68   4.211   0.670   8.853
  511    H    ILE  69           H        ILE  69   4.793   3.269   5.571
  512    HA   ILE  69           HA       ILE  69   3.263   1.379   4.060
  513    HB   ILE  69           HB       ILE  69   5.886   2.731   3.369
  514   HG12  ILE  69          HG13      ILE  69   3.048   3.555   2.736
  515   HG13  ILE  69          HG12      ILE  69   4.027   4.274   4.006
  516   HG21  ILE  69          HG21      ILE  69   4.306   0.783   2.020
  517   HG22  ILE  69          HG22      ILE  69   5.749   1.613   1.437
  518   HG23  ILE  69          HG23      ILE  69   4.154   2.312   1.160
  519   HD11  ILE  69          HD11      ILE  69   3.966   5.043   1.312
  520   HD12  ILE  69          HD12      ILE  69   5.492   4.179   1.507
  521   HD13  ILE  69          HD13      ILE  69   5.128   5.570   2.529
  522    H    ARG  70           H        ARG  70   6.488   1.273   5.521
  523    HA   ARG  70           HA       ARG  70   7.403  -1.123   4.287
  524    HB2  ARG  70           HB3      ARG  70   8.004  -0.009   7.043
  525    HB3  ARG  70           HB2      ARG  70   8.916  -1.300   6.260
  526    HG2  ARG  70           HG3      ARG  70   9.401   0.248   4.361
  527    HG3  ARG  70           HG2      ARG  70   8.589   1.539   5.247
  528    HD2  ARG  70           HD3      ARG  70  11.040   0.006   6.162
  529    HD3  ARG  70           HD2      ARG  70  10.996   1.687   5.633
  530    HE   ARG  70           HE       ARG  70  10.119   0.681   8.240
  531   HH11  ARG  70          HH11      ARG  70   9.487   2.281   9.706
  532   HH12  ARG  70          HH12      ARG  70   9.209   3.894   9.140
  533   HH21  ARG  70          HH21      ARG  70   9.965   3.150   5.839
  534   HH22  ARG  70          HH22      ARG  70   9.480   4.385   6.951
  535    H    SER  71           H        SER  71   5.400  -0.616   7.181
  536    HA   SER  71           HA       SER  71   5.414  -3.315   8.094
  537    HB2  SER  71           HB3      SER  71   3.448  -2.707   9.362
  538    HB3  SER  71           HB2      SER  71   4.530  -1.321   9.357
  539    HG   SER  71           HG       SER  71   3.079  -1.063   7.219
  540    H    ILE  72           H        ILE  72   3.461  -1.658   5.647
  541    HA   ILE  72           HA       ILE  72   1.591  -3.789   5.236
  542    HB   ILE  72           HB       ILE  72   2.537  -1.690   3.260
  543   HG12  ILE  72          HG13      ILE  72   0.240  -1.595   5.243
  544   HG13  ILE  72          HG12      ILE  72   1.771  -0.741   5.443
  545   HG21  ILE  72          HG21      ILE  72  -0.253  -2.687   3.331
  546   HG22  ILE  72          HG22      ILE  72   0.955  -3.834   2.757
  547   HG23  ILE  72          HG23      ILE  72   0.760  -2.281   1.948
  548   HD11  ILE  72          HD11      ILE  72  -0.244  -0.350   3.213
  549   HD12  ILE  72          HD12      ILE  72   1.349   0.404   3.249
  550   HD13  ILE  72          HD13      ILE  72   0.158   0.801   4.488
  551    H    ASP  73           H        ASP  73   4.738  -2.998   3.803
  552    HA   ASP  73           HA       ASP  73   4.738  -4.941   1.733
  553    HB2  ASP  73           HB3      ASP  73   6.443  -3.103   2.076
  554    HB3  ASP  73           HB2      ASP  73   7.149  -4.089   3.356
  555    H    ALA  74           H        ALA  74   5.630  -5.218   5.166
  556    HA   ALA  74           HA       ALA  74   6.656  -7.886   4.996
  557    HB1  ALA  74           HB1      ALA  74   7.066  -7.516   7.179
  558    HB2  ALA  74           HB2      ALA  74   5.340  -7.415   7.521
  559    HB3  ALA  74           HB3      ALA  74   6.227  -5.972   7.030
  560    H    PHE  75           H        PHE  75   3.394  -6.650   5.713
  561    HA   PHE  75           HA       PHE  75   2.197  -9.209   6.155
  562    HB2  PHE  75           HB3      PHE  75   1.133  -7.033   6.749
  563    HB3  PHE  75           HB2      PHE  75   0.889  -6.726   5.031
  564    HD1  PHE  75           HD1      PHE  75  -0.820  -7.868   3.774
  565    HD2  PHE  75           HD2      PHE  75  -0.035  -8.925   7.862
  566    HE1  PHE  75           HE1      PHE  75  -2.902  -9.214   3.826
  567    HE2  PHE  75           HE2      PHE  75  -2.117 -10.271   7.914
  568    HZ   PHE  75           HZ       PHE  75  -3.551 -10.414   5.896
  569    H    VAL  76           H        VAL  76   2.459  -7.207   3.214
  570    HA   VAL  76           HA       VAL  76   1.078  -9.023   1.499
  571    HB   VAL  76           HB       VAL  76   3.173  -6.907   0.957
  572   HG11  VAL  76          HG11      VAL  76   3.390  -7.960  -1.038
  573   HG12  VAL  76          HG12      VAL  76   1.804  -7.273  -1.387
  574   HG13  VAL  76          HG13      VAL  76   1.937  -8.927  -0.790
  575   HG21  VAL  76          HG21      VAL  76   0.499  -6.485  -0.091
  576   HG22  VAL  76          HG22      VAL  76   1.434  -5.468   1.006
  577   HG23  VAL  76          HG23      VAL  76   0.446  -6.782   1.648
  578    H    VAL  77           H        VAL  77   4.546  -8.646   2.266
  579    HA   VAL  77           HA       VAL  77   5.523 -10.609   0.463
  580    HB   VAL  77           HB       VAL  77   6.536  -9.634   3.143
  581   HG11  VAL  77          HG11      VAL  77   8.713 -10.683   2.334
  582   HG12  VAL  77          HG12      VAL  77   7.741 -11.563   1.156
  583   HG13  VAL  77          HG13      VAL  77   7.473 -11.811   2.880
  584   HG21  VAL  77          HG21      VAL  77   7.406  -7.939   1.934
  585   HG22  VAL  77          HG22      VAL  77   6.511  -8.534   0.535
  586   HG23  VAL  77          HG23      VAL  77   8.166  -9.076   0.820
  587    H    GLY  78           H        GLY  78   4.328 -10.883   3.794
  588    HA2  GLY  78           HA3      GLY  78   4.974 -13.610   4.222
  589    HA3  GLY  78           HA2      GLY  78   3.651 -12.759   5.017
  590    H    ALA  79           H        ALA  79   2.258 -12.146   2.476
  591    HA   ALA  79           HA       ALA  79   1.123 -14.862   2.054
  592    HB1  ALA  79           HB1      ALA  79  -0.549 -12.992   0.819
  593    HB2  ALA  79           HB2      ALA  79   0.003 -12.197   2.293
  594    HB3  ALA  79           HB3      ALA  79  -0.810 -13.760   2.386
  595    H    THR  80           H        THR  80   1.950 -11.951   0.146
  596    HA   THR  80           HA       THR  80   2.519 -13.785  -2.146
  597    HB   THR  80           HB       THR  80   1.428 -12.324  -3.682
  598    HG1  THR  80           HG1      THR  80   1.454 -10.285  -3.265
  599   HG21  THR  80          HG21      THR  80  -0.557 -12.015  -1.504
  600   HG22  THR  80          HG22      THR  80   0.040 -13.652  -1.770
  601   HG23  THR  80          HG23      THR  80  -0.730 -12.769  -3.088
  602    H    THR  81           H        THR  81   4.091 -12.895  -3.682
  603    HA   THR  81           HA       THR  81   5.671 -10.605  -2.634
  604    HB   THR  81           HB       THR  81   6.949 -12.403  -1.805
  605    HG1  THR  81           HG1      THR  81   8.721 -12.526  -3.329
  606   HG21  THR  81          HG21      THR  81   6.123 -13.771  -4.359
  607   HG22  THR  81          HG22      THR  81   5.895 -14.308  -2.695
  608   HG23  THR  81          HG23      THR  81   7.500 -14.354  -3.423
  609    HA   PRO  82           HA       PRO  82   4.806 -10.161  -7.151
  610    HB2  PRO  82           HB3      PRO  82   5.082  -7.297  -6.546
  611    HB3  PRO  82           HB2      PRO  82   3.722  -8.160  -7.281
  612    HG2  PRO  82           HG3      PRO  82   3.651  -7.132  -4.781
  613    HG3  PRO  82           HG2      PRO  82   2.722  -8.556  -5.279
  614    HD2  PRO  82           HD3      PRO  82   5.217  -8.416  -3.637
  615    HD3  PRO  82           HD2      PRO  82   3.859  -9.561  -3.539
  616    HA   PRO  83           HA       PRO  83   8.809  -9.200  -8.778
  617    HB2  PRO  83           HB3      PRO  83   7.985  -6.717 -10.149
  618    HB3  PRO  83           HB2      PRO  83   8.586  -8.235 -10.837
  619    HG2  PRO  83           HG3      PRO  83   6.019  -7.453 -11.044
  620    HG3  PRO  83           HG2      PRO  83   6.509  -9.153 -10.974
  621    HD2  PRO  83           HD3      PRO  83   5.254  -7.466  -8.852
  622    HD3  PRO  83           HD2      PRO  83   5.090  -9.208  -9.162
  623    H    VAL  84           H        VAL  84  10.695  -7.976  -8.310
  624    HA   VAL  84           HA       VAL  84  10.253  -5.647  -6.483
  625    HB   VAL  84           HB       VAL  84  12.657  -7.488  -6.657
  626   HG11  VAL  84          HG11      VAL  84  13.675  -5.981  -5.332
  627   HG12  VAL  84          HG12      VAL  84  12.349  -6.079  -4.175
  628   HG13  VAL  84          HG13      VAL  84  12.280  -4.916  -5.499
  629   HG21  VAL  84          HG21      VAL  84  11.064  -8.880  -5.698
  630   HG22  VAL  84          HG22      VAL  84  10.141  -7.535  -5.029
  631   HG23  VAL  84          HG23      VAL  84  11.646  -8.040  -4.260
  632    H    GLU  85           H        GLU  85  11.051  -3.704  -7.133
  633    HA   GLU  85           HA       GLU  85  13.122  -3.669  -9.272
  634    HB2  GLU  85           HB3      GLU  85  10.641  -1.927  -9.161
  635    HB3  GLU  85           HB2      GLU  85  11.938  -1.784 -10.348
  636    HG2  GLU  85           HG3      GLU  85  11.499  -4.123 -11.073
  637    HG3  GLU  85           HG2      GLU  85  10.150  -4.198  -9.939
  638    H    ALA  86           H        ALA  86  14.402  -1.671  -9.276
  639    HA   ALA  86           HA       ALA  86  15.110  -0.780  -6.657
  640    HB1  ALA  86           HB1      ALA  86  16.621   0.708  -7.735
  641    HB2  ALA  86           HB2      ALA  86  15.623   0.794  -9.187
  642    HB3  ALA  86           HB3      ALA  86  16.512  -0.683  -8.813
  643    H    LYS  87           H        LYS  87  14.570   1.129  -5.539
  644    HA   LYS  87           HA       LYS  87  11.948   2.162  -5.862
  645    HB2  LYS  87           HB3      LYS  87  13.318   2.326  -3.769
  646    HB3  LYS  87           HB2      LYS  87  14.294   3.570  -4.552
  647    HG2  LYS  87           HG3      LYS  87  12.250   4.938  -4.889
  648    HG3  LYS  87           HG2      LYS  87  11.308   3.710  -4.042
  649    HD2  LYS  87           HD3      LYS  87  12.802   4.023  -2.050
  650    HD3  LYS  87           HD2      LYS  87  13.577   5.362  -2.898
  651    HE2  LYS  87           HE3      LYS  87  10.594   5.233  -2.394
  652    HE3  LYS  87           HE2      LYS  87  11.723   6.041  -1.305
  653    HZ1  LYS  87           HZ1      LYS  87  10.904   7.671  -2.781
  654    HZ2  LYS  87           HZ2      LYS  87  11.164   6.689  -4.142
  655    HZ3  LYS  87           HZ3      LYS  87  12.485   7.332  -3.290
  656    H    LEU  88           H        LEU  88  15.059   3.326  -7.101
  657    HA   LEU  88           HA       LEU  88  13.707   5.628  -8.388
  658    HB2  LEU  88           HB3      LEU  88  16.631   4.826  -8.459
  659    HB3  LEU  88           HB2      LEU  88  15.953   6.368  -8.979
  660    HG   LEU  88           HG       LEU  88  15.939   5.262  -6.157
  661   HD11  LEU  88          HD11      LEU  88  17.234   7.770  -7.253
  662   HD12  LEU  88          HD12      LEU  88  18.094   6.240  -7.073
  663   HD13  LEU  88          HD13      LEU  88  17.450   7.064  -5.651
  664   HD21  LEU  88          HD21      LEU  88  14.530   7.559  -7.475
  665   HD22  LEU  88          HD22      LEU  88  15.086   7.747  -5.812
  666   HD23  LEU  88          HD23      LEU  88  13.947   6.465  -6.222
  667    H    GLN  89           H        GLN  89  13.446   5.786 -10.622
  668    HA   GLN  89           HA       GLN  89  13.360   3.317 -12.119
  669    HB2  GLN  89           HB3      GLN  89  13.142   6.198 -13.045
  670    HB3  GLN  89           HB2      GLN  89  12.765   4.788 -14.036
  671    HG2  GLN  89           HG3      GLN  89  11.068   4.099 -12.338
  672    HG3  GLN  89           HG2      GLN  89  11.393   5.591 -11.454
  673   HE21  GLN  89          HE21      GLN  89  11.825   6.429 -14.627
  674   HE22  GLN  89          HE22      GLN  89  10.257   6.957 -15.002
  675    H3   7V9 101          1H1       NIA 101 -12.338   3.359   9.180
  676    H4   7V9 101          2H1       NIA 101 -11.368   4.162  10.415
  677    H5   7V9 101          1HE1      NIA 101  -8.862   3.773  10.128
  678    H6   7V9 101          2HE1      NIA 101  -8.405   2.069  10.141
  679    H7   7V9 101          3HE1      NIA 101  -9.430   2.717  11.421
  680    H8   7V9 101          2HE2      NIA 101  -9.350   1.152   8.208
  681    H9   7V9 101          3HE2      NIA 101  -9.500   2.818   7.653
  682    H10  7V9 101          1HE2      NIA 101 -10.887   1.732   7.569
  683    H11  7V9 101          3H        NIA 101 -11.760   0.747   9.474
  684    H12  7V9 101          3HO       NIA 101 -11.581   2.443  11.741
  685    H13  7V9 101          5H        NIA 101  -8.388   0.166  10.127
  686    H14  7V9 101          1H6       NIA 101  -9.969  -2.198   9.937
  687    H15  7V9 101          2H6       NIA 101 -10.423  -1.119   8.618
  688    H16  7V9 101          1H7       NIA 101  -7.704  -2.317   9.188
  689    H17  7V9 101          2H7       NIA 101  -7.926  -0.963   8.079
  690    H18  7V9 101          9H        NIA 101  -7.105  -2.581   6.434
  691    H19  7V9 101          1H10      NIA 101  -9.453  -4.063   5.332
  692    H20  7V9 101          2H10      NIA 101  -8.641  -2.834   4.363
  693    H21  7V9 101          1H11      NIA 101  -7.975  -5.563   4.531
  694    H22  7V9 101          2H11      NIA 101  -6.721  -4.722   5.441
  695    H25  7V9 101          5H1       NIA 101  -3.079  -3.499   3.187
  696    H26  7V9 101          7H1       NIA 101  -2.452  -3.720  -0.952
  697    H27  7V9 101          8H1       NIA 101  -4.614  -4.899  -1.252
  698    H28  7V9 101          9H1       NIA 101  -5.997  -5.432   0.725
  Start of MODEL   17
    1    H1   MET   1           H1       MET   1  15.103  -4.551  -6.634
    2    H2   MET   1           H2       MET   1  15.396  -2.894  -6.397
    3    H3   MET   1           H3       MET   1  14.037  -3.402  -7.281
    4    HA   MET   1           HA       MET   1  14.369  -4.262  -4.490
    5    HB2  MET   1           HB3      MET   1  12.914  -2.238  -3.921
    6    HB3  MET   1           HB2      MET   1  14.605  -1.887  -4.272
    7    HG2  MET   1           HG3      MET   1  12.440  -1.758  -6.382
    8    HG3  MET   1           HG2      MET   1  12.903  -0.364  -5.408
    9    HE1  MET   1           HE1      MET   1  16.249   0.653  -6.260
   10    HE2  MET   1           HE2      MET   1  16.369  -0.805  -5.279
   11    HE3  MET   1           HE3      MET   1  15.063   0.339  -4.986
   12    H    GLN   2           H        GLN   2  11.727  -3.528  -3.858
   13    HA   GLN   2           HA       GLN   2  10.261  -5.588  -5.348
   14    HB2  GLN   2           HB3      GLN   2   9.413  -3.782  -3.061
   15    HB3  GLN   2           HB2      GLN   2   8.440  -5.095  -3.722
   16    HG2  GLN   2           HG3      GLN   2  10.193  -6.713  -3.127
   17    HG3  GLN   2           HG2      GLN   2  11.191  -5.406  -2.488
   18   HE21  GLN   2          HE21      GLN   2   9.661  -7.815  -1.180
   19   HE22  GLN   2          HE22      GLN   2   8.846  -7.087   0.119
   20    H    HIS   3           H        HIS   3  11.056  -2.864  -6.520
   21    HA   HIS   3           HA       HIS   3  10.087  -1.314  -7.989
   22    HB2  HIS   3           HB3      HIS   3   7.618  -3.072  -7.903
   23    HB3  HIS   3           HB2      HIS   3   8.125  -1.986  -9.194
   24    HD1  HIS   3           HD1      HIS   3   8.799  -5.367  -7.733
   25    HD2  HIS   3           HD2      HIS   3  10.255  -2.982 -10.831
   26    HE1  HIS   3           HE1      HIS   3  10.257  -6.865  -9.168
   27    HE2  HIS   3           HE2      HIS   3  11.147  -5.423 -11.055
   28    H    ALA   4           H        ALA   4   9.985  -0.761  -5.263
   29    HA   ALA   4           HA       ALA   4   7.460  -0.164  -4.162
   30    HB1  ALA   4           HB1      ALA   4   9.465   1.893  -3.608
   31    HB2  ALA   4           HB2      ALA   4  10.107   0.259  -3.434
   32    HB3  ALA   4           HB3      ALA   4   8.693   0.755  -2.503
   33    H    SER   5           H        SER   5   9.397   1.639  -6.516
   34    HA   SER   5           HA       SER   5   7.923   4.068  -6.457
   35    HB2  SER   5           HB3      SER   5   9.178   2.757  -8.886
   36    HB3  SER   5           HB2      SER   5   8.797   4.467  -8.700
   37    HG   SER   5           HG       SER   5  10.215   3.929  -6.627
   38    H    VAL   6           H        VAL   6   7.345   1.025  -8.180
   39    HA   VAL   6           HA       VAL   6   5.064   1.973  -9.662
   40    HB   VAL   6           HB       VAL   6   5.898  -0.807  -8.821
   41   HG11  VAL   6          HG11      VAL   6   4.263  -1.515 -10.624
   42   HG12  VAL   6          HG12      VAL   6   3.646   0.138 -10.613
   43   HG13  VAL   6          HG13      VAL   6   3.513  -0.864  -9.167
   44   HG21  VAL   6          HG21      VAL   6   5.891   0.298 -11.614
   45   HG22  VAL   6          HG22      VAL   6   6.891  -0.983 -10.931
   46   HG23  VAL   6          HG23      VAL   6   7.218   0.701 -10.525
   47    H    ILE   7           H        ILE   7   5.477   0.414  -6.516
   48    HA   ILE   7           HA       ILE   7   2.746  -0.032  -5.911
   49    HB   ILE   7           HB       ILE   7   5.021   0.708  -4.049
   50   HG12  ILE   7          HG13      ILE   7   3.879  -2.003  -4.796
   51   HG13  ILE   7          HG12      ILE   7   5.367  -1.331  -5.466
   52   HG21  ILE   7          HG21      ILE   7   3.218  -0.925  -2.702
   53   HG22  ILE   7          HG22      ILE   7   2.177   0.168  -3.614
   54   HG23  ILE   7          HG23      ILE   7   3.377   0.820  -2.499
   55   HD11  ILE   7          HD11      ILE   7   4.960  -2.665  -2.931
   56   HD12  ILE   7          HD12      ILE   7   5.593  -1.039  -2.671
   57   HD13  ILE   7          HD13      ILE   7   6.472  -2.175  -3.697
   58    H    ALA   8           H        ALA   8   4.801   2.787  -5.141
   59    HA   ALA   8           HA       ALA   8   2.718   4.331  -3.936
   60    HB1  ALA   8           HB1      ALA   8   4.224   6.280  -4.408
   61    HB2  ALA   8           HB2      ALA   8   5.264   5.196  -5.332
   62    HB3  ALA   8           HB3      ALA   8   5.044   4.943  -3.601
   63    H    GLN   9           H        GLN   9   3.972   4.277  -7.269
   64    HA   GLN   9           HA       GLN   9   2.117   6.266  -8.211
   65    HB2  GLN   9           HB3      GLN   9   3.215   6.077 -10.191
   66    HB3  GLN   9           HB2      GLN   9   4.369   5.140  -9.249
   67    HG2  GLN   9           HG3      GLN   9   3.896   3.776 -11.116
   68    HG3  GLN   9           HG2      GLN   9   2.907   3.099  -9.830
   69   HE21  GLN   9          HE21      GLN   9   0.994   2.438 -10.865
   70   HE22  GLN   9          HE22      GLN   9   0.072   3.420 -11.897
   71    H    PHE  10           H        PHE  10   1.988   2.763  -7.941
   72    HA   PHE  10           HA       PHE  10  -0.342   2.379  -9.559
   73    HB2  PHE  10           HB3      PHE  10   1.186   0.555  -8.771
   74    HB3  PHE  10           HB2      PHE  10   0.526   0.760  -7.149
   75    HD1  PHE  10           HD1      PHE  10  -1.718   0.032  -6.600
   76    HD2  PHE  10           HD2      PHE  10  -0.206  -0.303 -10.605
   77    HE1  PHE  10           HE1      PHE  10  -3.620  -1.442  -7.194
   78    HE2  PHE  10           HE2      PHE  10  -2.109  -1.777 -11.201
   79    HZ   PHE  10           HZ       PHE  10  -3.813  -2.348  -9.496
   80    H    VAL  11           H        VAL  11  -0.006   2.711  -6.016
   81    HA   VAL  11           HA       VAL  11  -2.873   2.824  -5.608
   82    HB   VAL  11           HB       VAL  11  -2.313   3.320  -3.299
   83   HG11  VAL  11          HG11      VAL  11  -0.603   1.466  -2.904
   84   HG12  VAL  11          HG12      VAL  11  -0.499   1.321  -4.659
   85   HG13  VAL  11          HG13      VAL  11  -2.029   1.011  -3.838
   86   HG21  VAL  11          HG21      VAL  11   0.355   4.014  -4.508
   87   HG22  VAL  11          HG22      VAL  11   0.245   3.524  -2.817
   88   HG23  VAL  11          HG23      VAL  11  -0.624   4.952  -3.380
   89    H    VAL  12           H        VAL  12  -0.275   5.248  -5.789
   90    HA   VAL  12           HA       VAL  12  -1.848   7.513  -5.074
   91    HB   VAL  12           HB       VAL  12   0.570   7.284  -6.866
   92   HG11  VAL  12          HG11      VAL  12   0.763   9.780  -6.263
   93   HG12  VAL  12          HG12      VAL  12  -0.938   9.677  -5.810
   94   HG13  VAL  12          HG13      VAL  12  -0.446   9.343  -7.471
   95   HG21  VAL  12          HG21      VAL  12   0.561   8.510  -4.138
   96   HG22  VAL  12          HG22      VAL  12   1.845   7.623  -4.962
   97   HG23  VAL  12          HG23      VAL  12   0.486   6.751  -4.252
   98    H    GLU  13           H        GLU  13  -1.327   5.926  -8.189
   99    HA   GLU  13           HA       GLU  13  -2.517   7.860  -9.871
  100    HB2  GLU  13           HB3      GLU  13  -1.325   5.782 -10.626
  101    HB3  GLU  13           HB2      GLU  13  -2.751   4.863 -10.165
  102    HG2  GLU  13           HG3      GLU  13  -4.109   6.287 -11.712
  103    HG3  GLU  13           HG2      GLU  13  -2.609   7.043 -12.245
  104    H    GLU  14           H        GLU  14  -3.999   5.356  -7.867
  105    HA   GLU  14           HA       GLU  14  -6.665   5.694  -8.885
  106    HB2  GLU  14           HB3      GLU  14  -5.674   4.647  -6.222
  107    HB3  GLU  14           HB2      GLU  14  -7.344   4.533  -6.776
  108    HG2  GLU  14           HG3      GLU  14  -4.950   3.382  -8.240
  109    HG3  GLU  14           HG2      GLU  14  -6.063   2.451  -7.239
  110    H    PHE  15           H        PHE  15  -4.889   7.284  -6.254
  111    HA   PHE  15           HA       PHE  15  -7.317   8.766  -5.470
  112    HB2  PHE  15           HB3      PHE  15  -4.487   9.068  -4.430
  113    HB3  PHE  15           HB2      PHE  15  -5.960   9.687  -3.682
  114    HD1  PHE  15           HD1      PHE  15  -3.732   6.900  -3.951
  115    HD2  PHE  15           HD2      PHE  15  -7.784   7.977  -3.035
  116    HE1  PHE  15           HE1      PHE  15  -4.045   4.726  -2.809
  117    HE2  PHE  15           HE2      PHE  15  -8.100   5.803  -1.883
  118    HZ   PHE  15           HZ       PHE  15  -6.230   4.175  -1.772
  119    H    LEU  16           H        LEU  16  -3.989   9.816  -6.329
  120    HA   LEU  16           HA       LEU  16  -5.245  12.131  -7.756
  121    HB2  LEU  16           HB3      LEU  16  -3.199  12.060  -5.624
  122    HB3  LEU  16           HB2      LEU  16  -2.829  13.120  -6.985
  123    HG   LEU  16           HG       LEU  16  -5.506  13.155  -5.577
  124   HD11  LEU  16          HD11      LEU  16  -2.900  14.350  -4.816
  125   HD12  LEU  16          HD12      LEU  16  -4.294  13.957  -3.811
  126   HD13  LEU  16          HD13      LEU  16  -4.287  15.439  -4.766
  127   HD21  LEU  16          HD21      LEU  16  -6.032  14.719  -7.116
  128   HD22  LEU  16          HD22      LEU  16  -4.539  14.302  -7.958
  129   HD23  LEU  16          HD23      LEU  16  -4.551  15.616  -6.781
  130    HA   PRO  17           HA       PRO  17  -2.353  10.008 -10.638
  131    HB2  PRO  17           HB3      PRO  17  -4.080   9.868 -12.746
  132    HB3  PRO  17           HB2      PRO  17  -4.005   8.646 -11.466
  133    HG2  PRO  17           HG3      PRO  17  -6.011  10.740 -11.948
  134    HG3  PRO  17           HG2      PRO  17  -6.174   9.172 -11.147
  135    HD2  PRO  17           HD3      PRO  17  -5.951  11.691  -9.876
  136    HD3  PRO  17           HD2      PRO  17  -5.849  10.100  -9.096
  137    H    ASP  18           H        ASP  18  -4.233  12.927 -10.811
  138    HA   ASP  18           HA       ASP  18  -3.036  13.916 -13.272
  139    HB2  ASP  18           HB3      ASP  18  -4.566  15.283 -11.053
  140    HB3  ASP  18           HB2      ASP  18  -4.050  16.089 -12.530
  141    H    VAL  19           H        VAL  19  -1.847  13.389 -10.224
  142    HA   VAL  19           HA       VAL  19   0.135  15.618 -10.449
  143    HB   VAL  19           HB       VAL  19  -0.603  13.992  -7.995
  144   HG11  VAL  19          HG11      VAL  19   1.318  16.226  -8.576
  145   HG12  VAL  19          HG12      VAL  19   1.551  14.784  -7.587
  146   HG13  VAL  19          HG13      VAL  19   0.576  16.122  -6.979
  147   HG21  VAL  19          HG21      VAL  19  -1.229  16.844  -7.965
  148   HG22  VAL  19          HG22      VAL  19  -2.261  15.470  -7.568
  149   HG23  VAL  19          HG23      VAL  19  -2.098  15.995  -9.244
  150    H    ALA  20           H        ALA  20   2.337  15.032 -10.484
  151    HA   ALA  20           HA       ALA  20   2.988  12.435 -11.424
  152    HB1  ALA  20           HB1      ALA  20   4.388  14.881 -10.842
  153    HB2  ALA  20           HB2      ALA  20   4.870  13.567 -11.916
  154    HB3  ALA  20           HB3      ALA  20   5.307  13.516 -10.208
  155    HA   PRO  21           HA       PRO  21   2.667  10.492  -7.345
  156    HB2  PRO  21           HB3      PRO  21   3.579   7.993  -8.109
  157    HB3  PRO  21           HB2      PRO  21   1.897   8.544  -8.235
  158    HG2  PRO  21           HG3      PRO  21   3.968   8.299 -10.327
  159    HG3  PRO  21           HG2      PRO  21   2.211   8.116 -10.438
  160    HD2  PRO  21           HD3      PRO  21   3.589  10.328 -11.315
  161    HD3  PRO  21           HD2      PRO  21   1.876  10.356 -10.838
  162    H    ALA  22           H        ALA  22   5.541  10.361  -9.371
  163    HA   ALA  22           HA       ALA  22   7.337   9.453  -7.290
  164    HB1  ALA  22           HB1      ALA  22   9.108  10.401  -8.854
  165    HB2  ALA  22           HB2      ALA  22   7.789  10.896  -9.915
  166    HB3  ALA  22           HB3      ALA  22   8.049   9.187  -9.571
  167    H    ASP  23           H        ASP  23   5.760  12.403  -7.922
  168    HA   ASP  23           HA       ASP  23   7.784  14.086  -6.605
  169    HB2  ASP  23           HB3      ASP  23   4.983  14.674  -7.614
  170    HB3  ASP  23           HB2      ASP  23   6.054  15.881  -6.901
  171    H    VAL  24           H        VAL  24   5.732  11.840  -5.490
  172    HA   VAL  24           HA       VAL  24   4.795  13.410  -3.145
  173    HB   VAL  24           HB       VAL  24   4.216  10.530  -3.909
  174   HG11  VAL  24          HG11      VAL  24   2.171  11.487  -2.313
  175   HG12  VAL  24          HG12      VAL  24   3.601  12.222  -1.588
  176   HG13  VAL  24          HG13      VAL  24   3.500  10.469  -1.759
  177   HG21  VAL  24          HG21      VAL  24   3.399  12.453  -5.459
  178   HG22  VAL  24          HG22      VAL  24   2.311  12.860  -4.132
  179   HG23  VAL  24          HG23      VAL  24   2.208  11.277  -4.902
  180    H    ASP  25           H        ASP  25   5.727  13.119  -1.145
  181    HA   ASP  25           HA       ASP  25   8.272  11.765  -0.996
  182    HB2  ASP  25           HB3      ASP  25   6.480  12.928   1.156
  183    HB3  ASP  25           HB2      ASP  25   8.111  12.326   1.447
  184    H    VAL  26           H        VAL  26   7.646   9.571  -1.636
  185    HA   VAL  26           HA       VAL  26   5.740   8.006  -0.167
  186    HB   VAL  26           HB       VAL  26   6.812   6.072  -1.194
  187   HG11  VAL  26          HG11      VAL  26   5.438   7.504  -2.654
  188   HG12  VAL  26          HG12      VAL  26   6.779   6.800  -3.558
  189   HG13  VAL  26          HG13      VAL  26   6.854   8.483  -3.036
  190   HG21  VAL  26          HG21      VAL  26   9.113   6.307  -0.953
  191   HG22  VAL  26          HG22      VAL  26   9.093   8.004  -1.435
  192   HG23  VAL  26          HG23      VAL  26   8.925   6.739  -2.653
  193    H    ASP  27           H        ASP  27   8.510   9.435   0.945
  194    HA   ASP  27           HA       ASP  27   9.179   7.235   2.825
  195    HB2  ASP  27           HB3      ASP  27  11.156   8.567   3.357
  196    HB3  ASP  27           HB2      ASP  27  11.036   8.367   1.613
  197    H    LEU  28           H        LEU  28   6.896   9.456   2.714
  198    HA   LEU  28           HA       LEU  28   7.281  10.648   5.393
  199    HB2  LEU  28           HB3      LEU  28   6.353  12.001   3.506
  200    HB3  LEU  28           HB2      LEU  28   4.953  10.934   3.477
  201    HG   LEU  28           HG       LEU  28   4.571  11.496   5.906
  202   HD11  LEU  28          HD11      LEU  28   6.941  13.237   5.315
  203   HD12  LEU  28          HD12      LEU  28   6.563  12.321   6.773
  204   HD13  LEU  28          HD13      LEU  28   5.712  13.828   6.432
  205   HD21  LEU  28          HD21      LEU  28   3.397  12.619   3.973
  206   HD22  LEU  28          HD22      LEU  28   4.593  13.912   4.074
  207   HD23  LEU  28          HD23      LEU  28   3.502  13.611   5.427
  208    H    ASP  29           H        ASP  29   5.947  10.146   7.174
  209    HA   ASP  29           HA       ASP  29   5.004   7.472   7.345
  210    HB2  ASP  29           HB3      ASP  29   4.302   9.908   9.017
  211    HB3  ASP  29           HB2      ASP  29   3.865   8.252   9.443
  212    H    LEU  30           H        LEU  30   3.230   6.635   6.415
  213    HA   LEU  30           HA       LEU  30   1.363   8.184   4.941
  214    HB2  LEU  30           HB3      LEU  30   1.006   5.398   6.075
  215    HB3  LEU  30           HB2      LEU  30   0.054   6.109   4.775
  216    HG   LEU  30           HG       LEU  30   3.036   5.567   4.715
  217   HD11  LEU  30          HD11      LEU  30   0.876   3.859   4.268
  218   HD12  LEU  30          HD12      LEU  30   2.530   3.609   3.718
  219   HD13  LEU  30          HD13      LEU  30   1.355   4.377   2.651
  220   HD21  LEU  30          HD21      LEU  30   2.861   7.419   3.328
  221   HD22  LEU  30          HD22      LEU  30   1.173   7.095   2.935
  222   HD23  LEU  30          HD23      LEU  30   2.452   6.145   2.179
  223    H    VAL  31           H        VAL  31   1.601   7.734   8.317
  224    HA   VAL  31           HA       VAL  31  -1.072   7.594   9.146
  225    HB   VAL  31           HB       VAL  31   1.270   9.123  10.293
  226   HG11  VAL  31          HG11      VAL  31  -0.557  10.427  11.055
  227   HG12  VAL  31          HG12      VAL  31  -0.280   9.274  12.360
  228   HG13  VAL  31          HG13      VAL  31  -1.602   9.016  11.221
  229   HG21  VAL  31          HG21      VAL  31   0.670   6.466  10.313
  230   HG22  VAL  31          HG22      VAL  31  -0.162   6.993  11.774
  231   HG23  VAL  31          HG23      VAL  31   1.571   7.269  11.599
  232    H    ASP  32           H        ASP  32   0.758  10.467   8.125
  233    HA   ASP  32           HA       ASP  32  -1.336  12.366   8.471
  234    HB2  ASP  32           HB3      ASP  32   1.081  12.881   7.861
  235    HB3  ASP  32           HB2      ASP  32   0.697  12.370   6.218
  236    H    ASN  33           H        ASN  33  -0.596  10.045   5.951
  237    HA   ASN  33           HA       ASN  33  -2.843  10.915   4.266
  238    HB2  ASN  33           HB3      ASN  33  -1.074   8.481   3.969
  239    HB3  ASN  33           HB2      ASN  33  -2.100   9.197   2.730
  240   HD21  ASN  33          HD21      ASN  33  -1.428  11.986   3.373
  241   HD22  ASN  33          HD22      ASN  33   0.178  12.230   2.881
  242    H    GLY  34           H        GLY  34  -3.022   9.682   7.095
  243    HA2  GLY  34           HA3      GLY  34  -4.012   7.117   7.207
  244    HA3  GLY  34           HA2      GLY  34  -4.739   8.431   8.134
  245    H    VAL  35           H        VAL  35  -5.323   9.718   5.375
  246    HA   VAL  35           HA       VAL  35  -8.051   9.035   5.169
  247    HB   VAL  35           HB       VAL  35  -6.110  10.077   3.087
  248   HG11  VAL  35          HG11      VAL  35  -7.694   9.457   1.580
  249   HG12  VAL  35          HG12      VAL  35  -8.618  10.809   2.235
  250   HG13  VAL  35          HG13      VAL  35  -8.904   9.174   2.832
  251   HG21  VAL  35          HG21      VAL  35  -8.360  11.454   4.585
  252   HG22  VAL  35          HG22      VAL  35  -7.136  12.216   3.569
  253   HG23  VAL  35          HG23      VAL  35  -6.675  11.486   5.106
  254    H    ILE  36           H        ILE  36  -5.215   7.630   3.590
  255    HA   ILE  36           HA       ILE  36  -6.689   5.809   1.906
  256    HB   ILE  36           HB       ILE  36  -4.175   6.580   1.807
  257   HG12  ILE  36          HG13      ILE  36  -5.183   3.775   1.259
  258   HG13  ILE  36          HG12      ILE  36  -5.060   5.119   0.121
  259   HG21  ILE  36          HG21      ILE  36  -2.619   5.236   2.970
  260   HG22  ILE  36          HG22      ILE  36  -3.830   4.011   3.349
  261   HG23  ILE  36          HG23      ILE  36  -3.865   5.569   4.173
  262   HD11  ILE  36          HD11      ILE  36  -2.905   3.352   1.209
  263   HD12  ILE  36          HD12      ILE  36  -2.498   5.025   0.823
  264   HD13  ILE  36          HD13      ILE  36  -3.135   3.960  -0.430
  265    H    ASP  37           H        ASP  37  -5.695   5.796   5.228
  266    HA   ASP  37           HA       ASP  37  -5.598   3.041   5.796
  267    HB2  ASP  37           HB3      ASP  37  -5.043   4.936   7.369
  268    HB3  ASP  37           HB2      ASP  37  -6.776   5.148   7.618
  269    H    SER  38           H        SER  38  -8.429   5.125   5.366
  270    HA   SER  38           HA       SER  38 -10.147   2.738   5.913
  271    HB2  SER  38          2HB       SER  38 -10.740   5.692   6.127
  272    HB3  SER  38          1HB       SER  38 -11.972   4.440   6.256
  273    H    LEU  39           H        LEU  39 -10.435   5.732   3.960
  274    HA   LEU  39           HA       LEU  39 -12.235   4.542   2.095
  275    HB2  LEU  39           HB3      LEU  39 -10.439   6.950   1.894
  276    HB3  LEU  39           HB2      LEU  39 -11.558   6.494   0.617
  277    HG   LEU  39           HG       LEU  39 -13.338   6.462   2.517
  278   HD11  LEU  39          HD11      LEU  39 -11.088   8.060   3.759
  279   HD12  LEU  39          HD12      LEU  39 -11.937   6.676   4.448
  280   HD13  LEU  39          HD13      LEU  39 -12.769   8.219   4.266
  281   HD21  LEU  39          HD21      LEU  39 -13.783   8.840   2.147
  282   HD22  LEU  39          HD22      LEU  39 -13.226   8.093   0.650
  283   HD23  LEU  39          HD23      LEU  39 -12.122   9.083   1.606
  284    H    GLY  40           H        GLY  40  -8.744   5.191   1.808
  285    HA2  GLY  40           HA3      GLY  40  -8.527   3.869  -0.748
  286    HA3  GLY  40           HA2      GLY  40  -7.181   4.310   0.296
  287    H    LEU  41           H        LEU  41  -7.947   2.852   2.597
  288    HA   LEU  41           HA       LEU  41  -6.816   0.314   2.044
  289    HB2  LEU  41           HB3      LEU  41  -6.945   1.401   4.300
  290    HB3  LEU  41           HB2      LEU  41  -8.665   1.015   4.342
  291    HG   LEU  41           HG       LEU  41  -6.885  -1.260   3.689
  292   HD11  LEU  41          HD11      LEU  41  -5.428  -0.475   5.346
  293   HD12  LEU  41          HD12      LEU  41  -6.533  -1.486   6.278
  294   HD13  LEU  41          HD13      LEU  41  -6.731   0.266   6.277
  295   HD21  LEU  41          HD21      LEU  41  -9.299  -1.537   4.015
  296   HD22  LEU  41          HD22      LEU  41  -9.189  -0.804   5.615
  297   HD23  LEU  41          HD23      LEU  41  -8.432  -2.366   5.306
  298    H    LEU  42           H        LEU  42 -10.210   1.323   2.297
  299    HA   LEU  42           HA       LEU  42 -11.314  -1.318   2.017
  300    HB2  LEU  42           HB3      LEU  42 -12.584   0.704   2.814
  301    HB3  LEU  42           HB2      LEU  42 -12.565   1.306   1.164
  302    HG   LEU  42           HG       LEU  42 -13.584  -1.022   0.557
  303   HD11  LEU  42          HD11      LEU  42 -14.917  -0.958   3.176
  304   HD12  LEU  42          HD12      LEU  42 -13.221  -1.429   3.250
  305   HD13  LEU  42          HD13      LEU  42 -14.343  -2.337   2.240
  306   HD21  LEU  42          HD21      LEU  42 -15.889  -0.102   1.195
  307   HD22  LEU  42          HD22      LEU  42 -14.873   0.963   0.226
  308   HD23  LEU  42          HD23      LEU  42 -15.031   1.236   1.961
  309    H    LYS  43           H        LYS  43 -10.583   1.242  -0.356
  310    HA   LYS  43           HA       LYS  43 -11.547  -0.185  -2.639
  311    HB2  LYS  43           HB3      LYS  43  -9.437   1.963  -2.394
  312    HB3  LYS  43           HB2      LYS  43 -10.116   1.406  -3.919
  313    HG2  LYS  43           HG3      LYS  43 -12.388   2.026  -3.090
  314    HG3  LYS  43           HG2      LYS  43 -11.641   2.689  -1.636
  315    HD2  LYS  43           HD3      LYS  43 -10.288   4.216  -3.079
  316    HD3  LYS  43           HD2      LYS  43 -11.168   3.612  -4.485
  317    HE2  LYS  43           HE3      LYS  43 -12.316   5.596  -3.857
  318    HE3  LYS  43           HE2      LYS  43 -13.307   4.281  -3.227
  319    HZ1  LYS  43           HZ1      LYS  43 -12.588   6.303  -1.732
  320    HZ2  LYS  43           HZ2      LYS  43 -11.202   5.348  -1.503
  321    HZ3  LYS  43           HZ3      LYS  43 -12.734   4.738  -1.094
  322    H    VAL  44           H        VAL  44  -8.391  -0.093  -1.034
  323    HA   VAL  44           HA       VAL  44  -6.930  -1.524  -3.018
  324    HB   VAL  44           HB       VAL  44  -6.570  -1.358  -0.016
  325   HG11  VAL  44          HG11      VAL  44  -4.109  -1.942  -1.139
  326   HG12  VAL  44          HG12      VAL  44  -5.209  -2.978  -2.048
  327   HG13  VAL  44          HG13      VAL  44  -5.142  -3.092  -0.289
  328   HG21  VAL  44          HG21      VAL  44  -6.161   0.492  -2.110
  329   HG22  VAL  44          HG22      VAL  44  -4.559  -0.100  -1.674
  330   HG23  VAL  44          HG23      VAL  44  -5.593   0.630  -0.446
  331    H    ILE  45           H        ILE  45  -8.768  -2.688  -0.197
  332    HA   ILE  45           HA       ILE  45  -8.110  -5.444  -0.510
  333    HB   ILE  45           HB       ILE  45 -10.193  -3.866   0.906
  334   HG12  ILE  45          HG13      ILE  45  -9.438  -5.361   2.766
  335   HG13  ILE  45          HG12      ILE  45  -8.358  -6.170   1.634
  336   HG21  ILE  45          HG21      ILE  45 -11.296  -6.081   1.566
  337   HG22  ILE  45          HG22      ILE  45 -10.517  -6.772   0.144
  338   HG23  ILE  45          HG23      ILE  45 -11.684  -5.461  -0.037
  339   HD11  ILE  45          HD11      ILE  45  -7.045  -4.515   2.774
  340   HD12  ILE  45          HD12      ILE  45  -8.272  -3.276   2.512
  341   HD13  ILE  45          HD13      ILE  45  -7.338  -3.895   1.151
  342    H    ALA  46           H        ALA  46 -10.970  -3.618  -1.654
  343    HA   ALA  46           HA       ALA  46 -12.105  -5.846  -3.069
  344    HB1  ALA  46           HB1      ALA  46 -13.419  -3.854  -2.424
  345    HB2  ALA  46           HB2      ALA  46 -13.529  -4.158  -4.158
  346    HB3  ALA  46           HB3      ALA  46 -12.480  -2.875  -3.552
  347    H    TRP  47           H        TRP  47  -9.806  -3.321  -4.013
  348    HA   TRP  47           HA       TRP  47  -9.890  -3.878  -6.833
  349    HB2  TRP  47           HB3      TRP  47  -8.838  -1.856  -6.426
  350    HB3  TRP  47           HB2      TRP  47  -8.002  -2.461  -4.994
  351    HD1  TRP  47           HD1      TRP  47  -7.860  -2.644  -8.830
  352    HE1  TRP  47           HE1      TRP  47  -5.468  -3.309  -9.527
  353    HE3  TRP  47           HE3      TRP  47  -5.818  -3.531  -4.235
  354    HZ2  TRP  47           HZ2      TRP  47  -3.011  -4.111  -8.294
  355    HZ3  TRP  47           HZ3      TRP  47  -3.454  -4.242  -4.024
  356    HH2  TRP  47           HH2      TRP  47  -2.049  -4.533  -6.046
  357    H    LEU  48           H        LEU  48  -7.777  -5.044  -4.217
  358    HA   LEU  48           HA       LEU  48  -6.023  -6.589  -5.798
  359    HB2  LEU  48           HB3      LEU  48  -5.798  -6.095  -3.340
  360    HB3  LEU  48           HB2      LEU  48  -7.042  -7.296  -3.034
  361    HG   LEU  48           HG       LEU  48  -5.484  -8.832  -4.499
  362   HD11  LEU  48          HD11      LEU  48  -4.031  -6.581  -4.696
  363   HD12  LEU  48          HD12      LEU  48  -3.293  -8.184  -4.720
  364   HD13  LEU  48          HD13      LEU  48  -3.318  -7.244  -3.228
  365   HD21  LEU  48          HD21      LEU  48  -5.736  -9.643  -2.361
  366   HD22  LEU  48          HD22      LEU  48  -5.419  -8.073  -1.622
  367   HD23  LEU  48          HD23      LEU  48  -4.078  -9.062  -2.202
  368    H    GLU  49           H        GLU  49  -9.152  -7.491  -4.337
  369    HA   GLU  49           HA       GLU  49  -9.100 -10.208  -5.272
  370    HB2  GLU  49           HB3      GLU  49 -10.614  -9.435  -3.475
  371    HB3  GLU  49           HB2      GLU  49 -11.483  -8.443  -4.637
  372    HG2  GLU  49           HG3      GLU  49 -12.026 -10.484  -5.933
  373    HG3  GLU  49           HG2      GLU  49 -11.224 -11.452  -4.703
  374    H    ASP  50           H        ASP  50 -10.327  -7.190  -6.664
  375    HA   ASP  50           HA       ASP  50 -11.636  -8.369  -8.913
  376    HB2  ASP  50           HB3      ASP  50 -11.901  -5.999  -8.114
  377    HB3  ASP  50           HB2      ASP  50 -10.316  -5.659  -8.804
  378    H    ARG  51           H        ARG  51  -8.307  -7.206  -8.475
  379    HA   ARG  51           HA       ARG  51  -7.631  -7.902 -11.249
  380    HB2  ARG  51           HB3      ARG  51  -6.667  -5.902 -10.126
  381    HB3  ARG  51           HB2      ARG  51  -5.827  -6.972  -9.002
  382    HG2  ARG  51           HG3      ARG  51  -4.681  -8.056 -10.917
  383    HG3  ARG  51           HG2      ARG  51  -5.481  -6.932 -12.015
  384    HD2  ARG  51           HD3      ARG  51  -4.435  -5.037 -10.764
  385    HD3  ARG  51           HD2      ARG  51  -3.550  -6.212  -9.791
  386    HE   ARG  51           HE       ARG  51  -3.160  -6.585 -12.657
  387   HH11  ARG  51          HH11      ARG  51  -1.077  -6.143 -13.416
  388   HH12  ARG  51          HH12      ARG  51   0.027  -5.262 -12.415
  389   HH21  ARG  51          HH21      ARG  51  -2.219  -4.906  -9.796
  390   HH22  ARG  51          HH22      ARG  51  -0.620  -4.561 -10.366
  391    H    PHE  52           H        PHE  52  -6.291  -8.913  -8.070
  392    HA   PHE  52           HA       PHE  52  -4.940 -11.170  -9.311
  393    HB2  PHE  52           HB3      PHE  52  -5.315 -10.349  -6.425
  394    HB3  PHE  52           HB2      PHE  52  -4.333 -11.717  -6.941
  395    HD1  PHE  52           HD1      PHE  52  -2.299 -11.371  -8.312
  396    HD2  PHE  52           HD2      PHE  52  -4.586  -8.073  -6.784
  397    HE1  PHE  52           HE1      PHE  52  -0.408  -9.838  -8.790
  398    HE2  PHE  52           HE2      PHE  52  -2.695  -6.540  -7.261
  399    HZ   PHE  52           HZ       PHE  52  -0.606  -7.423  -8.265
  400    H    GLY  53           H        GLY  53  -8.078 -10.727  -7.870
  401    HA2  GLY  53           HA3      GLY  53  -9.838 -12.328  -7.809
  402    HA3  GLY  53           HA2      GLY  53  -8.719 -13.521  -8.467
  403    H    ILE  54           H        ILE  54  -7.951 -11.611  -5.631
  404    HA   ILE  54           HA       ILE  54  -7.943 -14.130  -4.036
  405    HB   ILE  54           HB       ILE  54  -6.597 -11.472  -3.464
  406   HG12  ILE  54          HG13      ILE  54  -5.321 -14.046  -4.419
  407   HG13  ILE  54          HG12      ILE  54  -5.794 -12.752  -5.520
  408   HG21  ILE  54          HG21      ILE  54  -5.271 -13.498  -2.120
  409   HG22  ILE  54          HG22      ILE  54  -6.964 -13.967  -1.968
  410   HG23  ILE  54          HG23      ILE  54  -6.433 -12.385  -1.399
  411   HD11  ILE  54          HD11      ILE  54  -3.979 -12.317  -3.137
  412   HD12  ILE  54          HD12      ILE  54  -4.310 -11.190  -4.453
  413   HD13  ILE  54          HD13      ILE  54  -3.380 -12.658  -4.761
  414    H    ALA  55           H        ALA  55  -9.103 -14.235  -2.099
  415    HA   ALA  55           HA       ALA  55 -11.423 -12.602  -1.819
  416    HB1  ALA  55           HB1      ALA  55 -11.015 -13.627   0.708
  417    HB2  ALA  55           HB2      ALA  55 -10.116 -14.760  -0.300
  418    HB3  ALA  55           HB3      ALA  55 -11.831 -14.478  -0.603
  419    H    ALA  56           H        ALA  56 -11.889 -11.001  -0.168
  420    HA   ALA  56           HA       ALA  56  -9.948  -8.987   0.125
  421    HB1  ALA  56           HB1      ALA  56 -12.460  -9.642   1.652
  422    HB2  ALA  56           HB2      ALA  56 -12.164  -8.310   0.535
  423    HB3  ALA  56           HB3      ALA  56 -11.442  -8.289   2.144
  424    H    ASP  57           H        ASP  57 -10.754 -11.659   2.325
  425    HA   ASP  57           HA       ASP  57  -9.623 -12.438   4.234
  426    HB2  ASP  57           HB3      ASP  57  -7.310 -11.351   2.617
  427    HB3  ASP  57           HB2      ASP  57  -7.132 -12.386   4.032
  428    H    ASP  58           H        ASP  58 -10.817  -9.997   4.703
  429    HA   ASP  58           HA       ASP  58  -9.102  -7.904   5.563
  430    HB2  ASP  58           HB3      ASP  58 -11.829  -8.744   6.554
  431    HB3  ASP  58           HB2      ASP  58 -11.036  -7.243   7.026
  432    H    VAL  59           H        VAL  59  -7.866  -7.649   7.367
  433    HA   VAL  59           HA       VAL  59  -8.138  -9.678   9.546
  434    HB   VAL  59           HB       VAL  59  -5.557  -8.476   8.533
  435   HG11  VAL  59          HG11      VAL  59  -6.025 -10.800  10.414
  436   HG12  VAL  59          HG12      VAL  59  -5.692  -9.158  10.962
  437   HG13  VAL  59          HG13      VAL  59  -4.483 -10.038  10.027
  438   HG21  VAL  59          HG21      VAL  59  -6.189  -9.954   6.818
  439   HG22  VAL  59          HG22      VAL  59  -6.980 -11.062   7.940
  440   HG23  VAL  59          HG23      VAL  59  -5.219 -10.983   7.873
  441    H    GLU  60           H        GLU  60  -8.054  -8.840  11.632
  442    HA   GLU  60           HA       GLU  60  -8.495  -6.012  11.958
  443    HB2  GLU  60           HB3      GLU  60  -9.426  -7.674  13.522
  444    HB3  GLU  60           HB2      GLU  60  -7.798  -8.107  14.034
  445    HG2  GLU  60           HG3      GLU  60  -7.423  -5.817  14.817
  446    HG3  GLU  60           HG2      GLU  60  -9.035  -5.366  14.287
  447    H    LEU  61           H        LEU  61  -6.630  -4.994  11.035
  448    HA   LEU  61           HA       LEU  61  -4.112  -5.356  12.597
  449    HB2  LEU  61           HB3      LEU  61  -4.427  -4.141   9.840
  450    HB3  LEU  61           HB2      LEU  61  -2.917  -4.547  10.651
  451    HG   LEU  61           HG       LEU  61  -5.038  -6.461   9.678
  452   HD11  LEU  61          HD11      LEU  61  -3.396  -7.225   8.155
  453   HD12  LEU  61          HD12      LEU  61  -2.091  -6.431   9.039
  454   HD13  LEU  61          HD13      LEU  61  -3.245  -5.468   8.116
  455   HD21  LEU  61          HD21      LEU  61  -2.717  -6.839  11.558
  456   HD22  LEU  61          HD22      LEU  61  -3.261  -8.168  10.536
  457   HD23  LEU  61          HD23      LEU  61  -4.366  -7.446  11.706
  458    H    SER  62           H        SER  62  -3.158  -3.541  13.520
  459    HA   SER  62           HA       SER  62  -4.902  -1.261  13.983
  460    HB2  SER  62           HB3      SER  62  -2.497  -2.359  15.140
  461    HB3  SER  62           HB2      SER  62  -2.287  -0.634  14.852
  462    HG   SER  62           HG       SER  62  -4.404  -1.912  16.253
  463    HA   PRO  63           HA       PRO  63  -3.648   1.536  10.833
  464    HB2  PRO  63           HB3      PRO  63  -3.149   3.836  12.325
  465    HB3  PRO  63           HB2      PRO  63  -4.745   3.302  11.772
  466    HG2  PRO  63           HG3      PRO  63  -3.473   3.023  14.435
  467    HG3  PRO  63           HG2      PRO  63  -5.173   3.287  14.012
  468    HD2  PRO  63           HD3      PRO  63  -4.238   0.862  14.809
  469    HD3  PRO  63           HD2      PRO  63  -5.575   1.031  13.650
  470    H    GLU  64           H        GLU  64  -1.522   1.077  13.564
  471    HA   GLU  64           HA       GLU  64   0.728   2.578  12.663
  472    HB2  GLU  64           HB3      GLU  64   0.605   0.066  14.334
  473    HB3  GLU  64           HB2      GLU  64   2.042   1.057  14.138
  474    HG2  GLU  64           HG3      GLU  64   0.796   2.994  15.047
  475    HG3  GLU  64           HG2      GLU  64  -0.595   1.949  15.310
  476    H    HIS  65           H        HIS  65  -0.454  -0.617  11.792
  477    HA   HIS  65           HA       HIS  65   1.943  -1.511  10.474
  478    HB2  HIS  65           HB3      HIS  65   0.286  -3.153  11.042
  479    HB3  HIS  65           HB2      HIS  65  -0.966  -2.286  10.152
  480    HD1  HIS  65           HD1      HIS  65  -1.167  -2.741   7.671
  481    HD2  HIS  65           HD2      HIS  65   2.315  -4.363   9.297
  482    HE1  HIS  65           HE1      HIS  65  -0.116  -4.155   5.849
  483    HE2  HIS  65           HE2      HIS  65   2.006  -5.142   6.826
  484    H    PHE  66           H        PHE  66  -0.677   0.595   9.503
  485    HA   PHE  66           HA       PHE  66   0.252   0.529   6.681
  486    HB2  PHE  66           HB3      PHE  66  -2.045   2.100   7.887
  487    HB3  PHE  66           HB2      PHE  66  -1.758   1.775   6.176
  488    HD1  PHE  66           HD1      PHE  66  -2.497  -0.255   5.167
  489    HD2  PHE  66           HD2      PHE  66  -2.500   0.155   9.441
  490    HE1  PHE  66           HE1      PHE  66  -3.747  -2.389   5.374
  491    HE2  PHE  66           HE2      PHE  66  -3.750  -1.973   9.649
  492    HZ   PHE  66           HZ       PHE  66  -4.373  -3.247   7.617
  493    H    ARG  67           H        ARG  67   1.174   2.041   9.424
  494    HA   ARG  67           HA       ARG  67   1.245   4.804   8.859
  495    HB2  ARG  67           HB3      ARG  67   1.922   3.925  11.026
  496    HB3  ARG  67           HB2      ARG  67   3.283   3.085  10.293
  497    HG2  ARG  67           HG3      ARG  67   4.321   5.170   9.676
  498    HG3  ARG  67           HG2      ARG  67   2.910   6.077  10.201
  499    HD2  ARG  67           HD3      ARG  67   4.530   6.233  11.969
  500    HD3  ARG  67           HD2      ARG  67   3.281   5.116  12.516
  501    HE   ARG  67           HE       ARG  67   5.357   3.638  11.214
  502   HH11  ARG  67          HH11      ARG  67   6.828   2.511  12.510
  503   HH12  ARG  67          HH12      ARG  67   7.004   2.949  14.176
  504   HH21  ARG  67          HH21      ARG  67   4.645   5.486  14.035
  505   HH22  ARG  67          HH22      ARG  67   5.769   4.633  15.040
  506    H    SER  68           H        SER  68   3.460   2.239   7.811
  507    HA   SER  68           HA       SER  68   4.756   4.247   6.002
  508    HB2  SER  68           HB3      SER  68   6.802   2.944   6.160
  509    HB3  SER  68           HB2      SER  68   6.250   3.340   7.784
  510    HG   SER  68           HG       SER  68   5.515   0.941   6.479
  511    H    ILE  69           H        ILE  69   5.207   3.594   3.872
  512    HA   ILE  69           HA       ILE  69   3.353   1.785   2.658
  513    HB   ILE  69           HB       ILE  69   5.932   2.950   1.570
  514   HG12  ILE  69          HG13      ILE  69   3.105   3.956   1.249
  515   HG13  ILE  69          HG12      ILE  69   4.216   4.582   2.458
  516   HG21  ILE  69          HG21      ILE  69   3.610   1.495   0.372
  517   HG22  ILE  69          HG22      ILE  69   5.331   1.323   0.025
  518   HG23  ILE  69          HG23      ILE  69   4.444   2.725  -0.573
  519   HD11  ILE  69          HD11      ILE  69   4.286   5.996   0.459
  520   HD12  ILE  69          HD12      ILE  69   4.658   4.589  -0.538
  521   HD13  ILE  69          HD13      ILE  69   5.824   5.157   0.656
  522    H    ARG  70           H        ARG  70   6.752   1.468   3.624
  523    HA   ARG  70           HA       ARG  70   7.279  -1.012   2.330
  524    HB2  ARG  70           HB3      ARG  70   8.407   0.115   4.908
  525    HB3  ARG  70           HB2      ARG  70   9.075  -1.268   4.042
  526    HG2  ARG  70           HG3      ARG  70   9.353   0.181   2.026
  527    HG3  ARG  70           HG2      ARG  70   8.806   1.559   2.982
  528    HD2  ARG  70           HD3      ARG  70  11.244  -0.155   3.551
  529    HD3  ARG  70           HD2      ARG  70  11.254   1.501   2.943
  530    HE   ARG  70           HE       ARG  70   9.791   1.390   5.410
  531   HH11  ARG  70          HH11      ARG  70  10.810   2.181   7.266
  532   HH12  ARG  70          HH12      ARG  70  12.533   2.354   7.284
  533   HH21  ARG  70          HH21      ARG  70  12.951   1.187   4.046
  534   HH22  ARG  70          HH22      ARG  70  13.746   1.792   5.462
  535    H    SER  71           H        SER  71   5.848  -0.316   5.521
  536    HA   SER  71           HA       SER  71   5.808  -2.997   6.476
  537    HB2  SER  71           HB3      SER  71   3.753  -0.833   7.003
  538    HB3  SER  71           HB2      SER  71   4.085  -2.234   8.011
  539    HG   SER  71           HG       SER  71   6.328  -1.333   8.027
  540    H    ILE  72           H        ILE  72   3.419  -1.176   4.557
  541    HA   ILE  72           HA       ILE  72   1.498  -3.298   4.403
  542    HB   ILE  72           HB       ILE  72   2.010  -1.012   2.477
  543   HG12  ILE  72          HG13      ILE  72   0.081  -1.175   4.814
  544   HG13  ILE  72          HG12      ILE  72   1.631  -0.334   4.871
  545   HG21  ILE  72          HG21      ILE  72   0.107  -3.200   2.554
  546   HG22  ILE  72          HG22      ILE  72   0.383  -2.007   1.285
  547   HG23  ILE  72          HG23      ILE  72  -0.712  -1.640   2.617
  548   HD11  ILE  72          HD11      ILE  72   0.625   1.476   3.994
  549   HD12  ILE  72          HD12      ILE  72  -0.880   0.581   3.780
  550   HD13  ILE  72          HD13      ILE  72   0.349   0.554   2.515
  551    H    ASP  73           H        ASP  73   4.219  -2.303   2.364
  552    HA   ASP  73           HA       ASP  73   3.769  -4.034   0.173
  553    HB2  ASP  73           HB3      ASP  73   5.548  -2.186   0.457
  554    HB3  ASP  73           HB2      ASP  73   6.520  -3.422   1.256
  555    H    ALA  74           H        ALA  74   5.346  -4.658   3.299
  556    HA   ALA  74           HA       ALA  74   6.332  -7.256   2.651
  557    HB1  ALA  74           HB1      ALA  74   6.048  -7.583   5.230
  558    HB2  ALA  74           HB2      ALA  74   5.606  -5.875   5.225
  559    HB3  ALA  74           HB3      ALA  74   7.196  -6.377   4.649
  560    H    PHE  75           H        PHE  75   3.251  -6.221   4.126
  561    HA   PHE  75           HA       PHE  75   2.196  -8.896   4.336
  562    HB2  PHE  75           HB3      PHE  75   1.293  -6.895   5.565
  563    HB3  PHE  75           HB2      PHE  75   0.629  -6.329   4.035
  564    HD1  PHE  75           HD1      PHE  75   0.361  -8.831   6.705
  565    HD2  PHE  75           HD2      PHE  75  -1.181  -7.555   2.905
  566    HE1  PHE  75           HE1      PHE  75  -1.605 -10.312   7.005
  567    HE2  PHE  75           HE2      PHE  75  -3.148  -9.034   3.206
  568    HZ   PHE  75           HZ       PHE  75  -3.361 -10.414   5.255
  569    H    VAL  76           H        VAL  76   1.771  -6.311   1.923
  570    HA   VAL  76           HA       VAL  76   0.080  -7.783   0.165
  571    HB   VAL  76           HB       VAL  76   2.080  -5.616  -0.543
  572   HG11  VAL  76          HG11      VAL  76   0.565  -7.136  -2.216
  573   HG12  VAL  76          HG12      VAL  76   1.031  -5.472  -2.553
  574   HG13  VAL  76          HG13      VAL  76  -0.552  -5.819  -1.867
  575   HG21  VAL  76          HG21      VAL  76  -0.648  -4.722  -0.236
  576   HG22  VAL  76          HG22      VAL  76   0.801  -4.148   0.589
  577   HG23  VAL  76          HG23      VAL  76  -0.109  -5.507   1.249
  578    H    VAL  77           H        VAL  77   3.621  -7.474   0.381
  579    HA   VAL  77           HA       VAL  77   4.320  -8.846  -1.981
  580    HB   VAL  77           HB       VAL  77   5.645  -8.665   0.729
  581   HG11  VAL  77          HG11      VAL  77   6.442 -10.723  -0.175
  582   HG12  VAL  77          HG12      VAL  77   7.678  -9.521  -0.543
  583   HG13  VAL  77          HG13      VAL  77   6.555 -10.044  -1.798
  584   HG21  VAL  77          HG21      VAL  77   6.900  -7.582  -1.714
  585   HG22  VAL  77          HG22      VAL  77   6.691  -6.832  -0.132
  586   HG23  VAL  77          HG23      VAL  77   5.362  -6.829  -1.292
  587    H    GLY  78           H        GLY  78   3.522 -10.096   1.251
  588    HA2  GLY  78           HA3      GLY  78   4.023 -12.844   0.714
  589    HA3  GLY  78           HA2      GLY  78   2.845 -12.255   1.891
  590    H    ALA  79           H        ALA  79   1.292 -10.754  -0.075
  591    HA   ALA  79           HA       ALA  79  -0.498 -12.843  -0.913
  592    HB1  ALA  79           HB1      ALA  79  -1.926 -11.130  -1.287
  593    HB2  ALA  79           HB2      ALA  79  -0.783 -10.307  -2.348
  594    HB3  ALA  79           HB3      ALA  79  -0.671 -10.100  -0.600
  595    H    THR  80           H        THR  80   1.730 -10.748  -2.765
  596    HA   THR  80           HA       THR  80   2.550 -12.722  -4.588
  597    HB   THR  80           HB       THR  80   0.475 -13.083  -5.556
  598    HG1  THR  80           HG1      THR  80   0.474 -11.223  -7.323
  599   HG21  THR  80          HG21      THR  80  -0.913 -10.818  -6.066
  600   HG22  THR  80          HG22      THR  80  -0.036 -10.311  -4.623
  601   HG23  THR  80          HG23      THR  80  -1.083 -11.730  -4.566
  602    H    THR  81           H        THR  81   2.647  -9.625  -3.473
  603    HA   THR  81           HA       THR  81   3.590  -8.267  -5.855
  604    HB   THR  81           HB       THR  81   4.597  -7.096  -3.413
  605    HG1  THR  81           HG1      THR  81   2.747  -8.557  -2.750
  606   HG21  THR  81          HG21      THR  81   4.098  -5.576  -5.125
  607   HG22  THR  81          HG22      THR  81   2.729  -5.382  -4.043
  608   HG23  THR  81          HG23      THR  81   2.558  -6.348  -5.502
  609    HA   PRO  82           HA       PRO  82   7.707  -9.745  -6.538
  610    HB2  PRO  82           HB3      PRO  82   8.513  -7.010  -5.640
  611    HB3  PRO  82           HB2      PRO  82   9.078  -7.940  -7.037
  612    HG2  PRO  82           HG3      PRO  82   7.146  -5.976  -7.127
  613    HG3  PRO  82           HG2      PRO  82   7.357  -7.255  -8.333
  614    HD2  PRO  82           HD3      PRO  82   5.136  -6.881  -6.579
  615    HD3  PRO  82           HD2      PRO  82   5.392  -8.227  -7.706
  616    HA   PRO  83           HA       PRO  83   8.704 -10.687  -2.211
  617    HB2  PRO  83           HB3      PRO  83  10.466 -12.701  -2.663
  618    HB3  PRO  83           HB2      PRO  83   8.712 -12.905  -2.834
  619    HG2  PRO  83           HG3      PRO  83  10.787 -12.527  -4.927
  620    HG3  PRO  83           HG2      PRO  83   9.337 -13.545  -4.941
  621    HD2  PRO  83           HD3      PRO  83   9.515 -11.084  -6.193
  622    HD3  PRO  83           HD2      PRO  83   7.991 -11.836  -5.676
  623    H    VAL  84           H        VAL  84  10.436 -10.313  -0.767
  624    HA   VAL  84           HA       VAL  84  12.995  -9.350  -1.963
  625    HB   VAL  84           HB       VAL  84  11.540  -7.412  -1.330
  626   HG11  VAL  84          HG11      VAL  84  11.923  -8.440   1.493
  627   HG12  VAL  84          HG12      VAL  84  10.427  -8.626   0.578
  628   HG13  VAL  84          HG13      VAL  84  11.010  -7.015   0.998
  629   HG21  VAL  84          HG21      VAL  84  13.274  -6.336   0.174
  630   HG22  VAL  84          HG22      VAL  84  13.924  -7.070  -1.291
  631   HG23  VAL  84          HG23      VAL  84  14.073  -7.905   0.255
  632    H    GLU  85           H        GLU  85  14.825  -9.924  -0.757
  633    HA   GLU  85           HA       GLU  85  14.651 -12.162   0.981
  634    HB2  GLU  85           HB3      GLU  85  16.857 -10.097   0.705
  635    HB3  GLU  85           HB2      GLU  85  17.025 -11.637   1.550
  636    HG2  GLU  85           HG3      GLU  85  16.427 -12.829  -0.547
  637    HG3  GLU  85           HG2      GLU  85  16.345 -11.277  -1.384
  638    H    ALA  86           H        ALA  86  14.741  -8.688   1.688
  639    HA   ALA  86           HA       ALA  86  13.719  -9.266   4.392
  640    HB1  ALA  86           HB1      ALA  86  16.364  -9.175   4.301
  641    HB2  ALA  86           HB2      ALA  86  15.488  -8.386   5.614
  642    HB3  ALA  86           HB3      ALA  86  16.088  -7.434   4.255
  643    H    LYS  87           H        LYS  87  12.764  -7.375   5.377
  644    HA   LYS  87           HA       LYS  87  11.492  -5.584   3.575
  645    HB2  LYS  87           HB3      LYS  87  10.694  -6.087   5.891
  646    HB3  LYS  87           HB2      LYS  87  12.034  -5.133   6.526
  647    HG2  LYS  87           HG3      LYS  87  11.198  -3.160   5.266
  648    HG3  LYS  87           HG2      LYS  87   9.825  -4.119   4.710
  649    HD2  LYS  87           HD3      LYS  87   9.201  -4.521   7.102
  650    HD3  LYS  87           HD2      LYS  87  10.499  -3.428   7.584
  651    HE2  LYS  87           HE3      LYS  87   9.447  -1.610   6.274
  652    HE3  LYS  87           HE2      LYS  87   8.137  -2.702   5.822
  653    HZ1  LYS  87           HZ1      LYS  87   7.700  -1.210   7.776
  654    HZ2  LYS  87           HZ2      LYS  87   8.843  -2.124   8.641
  655    HZ3  LYS  87           HZ3      LYS  87   7.433  -2.864   8.046
  656    H    LEU  88           H        LEU  88  14.457  -5.243   5.492
  657    HA   LEU  88           HA       LEU  88  14.878  -2.531   4.359
  658    HB2  LEU  88           HB3      LEU  88  16.557  -4.057   6.373
  659    HB3  LEU  88           HB2      LEU  88  16.704  -2.348   5.965
  660    HG   LEU  88           HG       LEU  88  14.312  -3.685   7.264
  661   HD11  LEU  88          HD11      LEU  88  16.710  -2.503   8.301
  662   HD12  LEU  88          HD12      LEU  88  15.340  -3.161   9.196
  663   HD13  LEU  88          HD13      LEU  88  15.348  -1.463   8.717
  664   HD21  LEU  88          HD21      LEU  88  14.750  -0.973   6.052
  665   HD22  LEU  88          HD22      LEU  88  13.712  -1.117   7.470
  666   HD23  LEU  88          HD23      LEU  88  13.318  -2.000   5.996
  667    H    GLN  89           H        GLN  89  16.573  -2.089   2.933
  668    HA   GLN  89           HA       GLN  89  17.420  -3.934   1.061
  669    HB2  GLN  89           HB3      GLN  89  19.028  -1.613   2.172
  670    HB3  GLN  89           HB2      GLN  89  19.395  -2.460   0.668
  671    HG2  GLN  89           HG3      GLN  89  17.204  -1.835  -0.245
  672    HG3  GLN  89           HG2      GLN  89  16.792  -1.024   1.267
  673   HE21  GLN  89          HE21      GLN  89  16.849   0.448  -1.169
  674   HE22  GLN  89          HE22      GLN  89  18.154   1.531  -1.123
  675    H3   7V9 101          1H1       NIA 101  -8.908   3.321   9.408
  676    H4   7V9 101          2H1       NIA 101  -9.645   2.109   8.362
  677    H5   7V9 101          1HE1      NIA 101 -11.067   0.908  11.168
  678    H6   7V9 101          2HE1      NIA 101 -10.283   2.303  11.909
  679    H7   7V9 101          3HE1      NIA 101  -9.710   0.675  12.270
  680    H8   7V9 101          2HE2      NIA 101  -7.734   2.702  11.269
  681    H9   7V9 101          3HE2      NIA 101  -7.043   1.657  10.029
  682    H10  7V9 101          1HE2      NIA 101  -7.474   0.989  11.602
  683    H11  7V9 101          3H        NIA 101  -8.514   0.141   8.707
  684    H12  7V9 101          3HO       NIA 101 -10.941  -0.537  10.007
  685    H13  7V9 101          5H        NIA 101  -6.590  -1.081  10.419
  686    H14  7V9 101          1H6       NIA 101  -6.383  -3.059   9.132
  687    H15  7V9 101          2H6       NIA 101  -7.536  -3.653  10.327
  688    H16  7V9 101          1H7       NIA 101  -8.594  -2.049   8.035
  689    H17  7V9 101          2H7       NIA 101  -9.349  -3.377   8.918
  690    H18  7V9 101          9H        NIA 101  -6.113  -3.270   7.315
  691    H19  7V9 101          1H10      NIA 101  -7.497  -4.593   5.015
  692    H20  7V9 101          2H10      NIA 101  -6.376  -3.245   4.826
  693    H21  7V9 101          1H11      NIA 101  -5.807  -6.125   5.395
  694    H22  7V9 101          2H11      NIA 101  -4.726  -4.917   6.091
  695    H25  7V9 101          5H1       NIA 101  -2.636  -5.906   2.295
  696    H26  7V9 101          7H1       NIA 101  -3.508  -4.836  -1.664
  697    H27  7V9 101          8H1       NIA 101  -5.928  -5.243  -1.230
  698    H28  7V9 101          9H1       NIA 101  -6.431  -6.894   0.635
  Start of MODEL   18
    1    H1   MET   1           H1       MET   1  13.072  -5.941  -5.702
    2    H2   MET   1           H2       MET   1  14.070  -4.607  -6.038
    3    H3   MET   1           H3       MET   1  12.472  -4.644  -6.615
    4    HA   MET   1           HA       MET   1  13.243  -4.568  -3.749
    5    HB2  MET   1           HB3      MET   1  12.042  -2.247  -4.054
    6    HB3  MET   1           HB2      MET   1  13.741  -2.410  -4.498
    7    HG2  MET   1           HG3      MET   1  13.088  -2.807  -6.850
    8    HG3  MET   1           HG2      MET   1  11.390  -2.633  -6.403
    9    HE1  MET   1           HE1      MET   1  14.782  -1.277  -6.743
   10    HE2  MET   1           HE2      MET   1  14.644  -0.429  -5.205
   11    HE3  MET   1           HE3      MET   1  14.677   0.489  -6.709
   12    H    GLN   2           H        GLN   2  11.458  -6.469  -4.997
   13    HA   GLN   2           HA       GLN   2   9.274  -7.290  -4.763
   14    HB2  GLN   2           HB3      GLN   2   9.232  -5.266  -2.501
   15    HB3  GLN   2           HB2      GLN   2   8.067  -6.569  -2.727
   16    HG2  GLN   2           HG3      GLN   2   9.849  -8.236  -2.507
   17    HG3  GLN   2           HG2      GLN   2  11.051  -6.954  -2.348
   18   HE21  GLN   2          HE21      GLN   2  10.705  -8.859  -0.258
   19   HE22  GLN   2          HE22      GLN   2  10.034  -8.075   1.090
   20    H    HIS   3           H        HIS   3   9.586  -5.311  -6.746
   21    HA   HIS   3           HA       HIS   3   8.407  -3.626  -7.915
   22    HB2  HIS   3           HB3      HIS   3   6.179  -5.349  -6.790
   23    HB3  HIS   3           HB2      HIS   3   5.946  -4.130  -8.041
   24    HD1  HIS   3           HD1      HIS   3   5.382  -7.079  -8.701
   25    HD2  HIS   3           HD2      HIS   3   9.076  -5.253  -9.353
   26    HE1  HIS   3           HE1      HIS   3   6.549  -8.437 -10.495
   27    HE2  HIS   3           HE2      HIS   3   8.795  -7.332 -10.899
   28    H    ALA   4           H        ALA   4   9.187  -2.833  -5.284
   29    HA   ALA   4           HA       ALA   4   7.079  -1.728  -3.731
   30    HB1  ALA   4           HB1      ALA   4   8.822  -0.212  -2.818
   31    HB2  ALA   4           HB2      ALA   4   9.916  -0.720  -4.105
   32    HB3  ALA   4           HB3      ALA   4   9.380  -1.884  -2.892
   33    H    SER   5           H        SER   5   8.767  -0.476  -6.586
   34    HA   SER   5           HA       SER   5   7.761   2.188  -6.454
   35    HB2  SER   5           HB3      SER   5   8.318   2.343  -8.810
   36    HB3  SER   5           HB2      SER   5   9.563   1.382  -8.015
   37    HG   SER   5           HG       SER   5   9.058  -0.075  -9.439
   38    H    VAL   6           H        VAL   6   6.374  -0.792  -7.772
   39    HA   VAL   6           HA       VAL   6   4.070   0.484  -8.952
   40    HB   VAL   6           HB       VAL   6   4.515  -2.353  -8.003
   41   HG11  VAL   6          HG11      VAL   6   2.270  -2.563  -8.187
   42   HG12  VAL   6          HG12      VAL   6   2.502  -2.353  -9.923
   43   HG13  VAL   6          HG13      VAL   6   2.109  -0.963  -8.911
   44   HG21  VAL   6          HG21      VAL   6   5.244  -2.820 -10.139
   45   HG22  VAL   6          HG22      VAL   6   5.734  -1.128 -10.063
   46   HG23  VAL   6          HG23      VAL   6   4.228  -1.575 -10.866
   47    H    ILE   7           H        ILE   7   4.762  -0.921  -5.780
   48    HA   ILE   7           HA       ILE   7   2.132  -0.787  -4.713
   49    HB   ILE   7           HB       ILE   7   4.788  -0.410  -3.296
   50   HG12  ILE   7          HG13      ILE   7   3.093  -2.902  -3.664
   51   HG13  ILE   7          HG12      ILE   7   4.538  -2.535  -4.607
   52   HG21  ILE   7          HG21      ILE   7   2.885   0.344  -1.936
   53   HG22  ILE   7          HG22      ILE   7   3.524  -1.170  -1.299
   54   HG23  ILE   7          HG23      ILE   7   2.041  -1.171  -2.253
   55   HD11  ILE   7          HD11      ILE   7   5.284  -2.177  -1.913
   56   HD12  ILE   7          HD12      ILE   7   5.764  -3.496  -2.981
   57   HD13  ILE   7          HD13      ILE   7   4.343  -3.668  -1.951
   58    H    ALA   8           H        ALA   8   4.806   1.573  -4.485
   59    HA   ALA   8           HA       ALA   8   3.248   3.605  -3.187
   60    HB1  ALA   8           HB1      ALA   8   5.481   4.111  -2.979
   61    HB2  ALA   8           HB2      ALA   8   5.143   5.064  -4.424
   62    HB3  ALA   8           HB3      ALA   8   5.879   3.468  -4.572
   63    H    GLN   9           H        GLN   9   4.127   3.096  -6.591
   64    HA   GLN   9           HA       GLN   9   2.736   5.369  -7.626
   65    HB2  GLN   9           HB3      GLN   9   4.436   4.049  -8.892
   66    HB3  GLN   9           HB2      GLN   9   3.284   2.718  -8.994
   67    HG2  GLN   9           HG3      GLN   9   1.819   4.908  -9.880
   68    HG3  GLN   9           HG2      GLN   9   3.419   5.173 -10.571
   69   HE21  GLN   9          HE21      GLN   9   1.125   2.419 -10.098
   70   HE22  GLN   9          HE22      GLN   9   1.417   1.729 -11.621
   71    H    PHE  10           H        PHE  10   1.762   1.987  -7.205
   72    HA   PHE  10           HA       PHE  10  -0.839   2.225  -8.344
   73    HB2  PHE  10           HB3      PHE  10   0.281   0.063  -7.831
   74    HB3  PHE  10           HB2      PHE  10   0.077   0.390  -6.110
   75    HD1  PHE  10           HD1      PHE  10  -2.056   0.157  -5.032
   76    HD2  PHE  10           HD2      PHE  10  -1.696  -0.306  -9.284
   77    HE1  PHE  10           HE1      PHE  10  -4.350  -0.781  -5.122
   78    HE2  PHE  10           HE2      PHE  10  -3.990  -1.245  -9.377
   79    HZ   PHE  10           HZ       PHE  10  -5.314  -1.482  -7.296
   80    H    VAL  11           H        VAL  11   0.250   2.475  -4.968
   81    HA   VAL  11           HA       VAL  11  -2.361   3.138  -3.932
   82    HB   VAL  11           HB       VAL  11   0.403   3.655  -2.796
   83   HG11  VAL  11          HG11      VAL  11  -2.265   4.405  -1.908
   84   HG12  VAL  11          HG12      VAL  11  -0.697   4.867  -1.246
   85   HG13  VAL  11          HG13      VAL  11  -1.462   3.363  -0.733
   86   HG21  VAL  11          HG21      VAL  11   0.139   1.589  -1.630
   87   HG22  VAL  11          HG22      VAL  11  -0.329   1.249  -3.296
   88   HG23  VAL  11          HG23      VAL  11  -1.567   1.481  -2.062
   89    H    VAL  12           H        VAL  12   0.479   5.090  -4.832
   90    HA   VAL  12           HA       VAL  12  -0.678   7.612  -4.115
   91    HB   VAL  12           HB       VAL  12   1.506   6.922  -6.082
   92   HG11  VAL  12          HG11      VAL  12   0.158   9.431  -5.496
   93   HG12  VAL  12          HG12      VAL  12   1.354   9.071  -6.739
   94   HG13  VAL  12          HG13      VAL  12   1.878   9.519  -5.117
   95   HG21  VAL  12          HG21      VAL  12   2.904   6.855  -4.300
   96   HG22  VAL  12          HG22      VAL  12   1.446   6.712  -3.319
   97   HG23  VAL  12          HG23      VAL  12   2.179   8.294  -3.583
   98    H    GLU  13           H        GLU  13  -0.632   5.784  -7.155
   99    HA   GLU  13           HA       GLU  13  -1.687   7.733  -8.881
  100    HB2  GLU  13           HB3      GLU  13  -0.931   5.473  -9.599
  101    HB3  GLU  13           HB2      GLU  13  -2.390   4.795  -8.885
  102    HG2  GLU  13           HG3      GLU  13  -3.759   6.251 -10.367
  103    HG3  GLU  13           HG2      GLU  13  -2.273   6.816 -11.126
  104    H    GLU  14           H        GLU  14  -3.301   5.883  -6.378
  105    HA   GLU  14           HA       GLU  14  -5.992   6.357  -7.246
  106    HB2  GLU  14           HB3      GLU  14  -4.866   5.908  -4.466
  107    HB3  GLU  14           HB2      GLU  14  -6.585   5.892  -4.859
  108    HG2  GLU  14           HG3      GLU  14  -6.173   4.058  -6.485
  109    HG3  GLU  14           HG2      GLU  14  -4.473   4.045  -6.012
  110    H    PHE  15           H        PHE  15  -3.678   8.316  -5.460
  111    HA   PHE  15           HA       PHE  15  -5.537  10.607  -5.721
  112    HB2  PHE  15           HB3      PHE  15  -5.330  11.250  -3.390
  113    HB3  PHE  15           HB2      PHE  15  -5.917   9.589  -3.454
  114    HD1  PHE  15           HD1      PHE  15  -4.254   7.688  -3.175
  115    HD2  PHE  15           HD2      PHE  15  -3.270  11.782  -2.328
  116    HE1  PHE  15           HE1      PHE  15  -2.310   6.942  -1.829
  117    HE2  PHE  15           HE2      PHE  15  -1.323  11.036  -0.986
  118    HZ   PHE  15           HZ       PHE  15  -0.843   8.616  -0.736
  119    H    LEU  16           H        LEU  16  -3.204  10.120  -7.205
  120    HA   LEU  16           HA       LEU  16  -0.986  11.529  -5.960
  121    HB2  LEU  16           HB3      LEU  16   0.277  10.811  -7.715
  122    HB3  LEU  16           HB2      LEU  16  -1.037   9.669  -7.884
  123    HG   LEU  16           HG       LEU  16  -0.769  12.280  -9.418
  124   HD11  LEU  16          HD11      LEU  16   0.447  11.124 -10.898
  125   HD12  LEU  16          HD12      LEU  16  -0.823   9.907 -11.024
  126   HD13  LEU  16          HD13      LEU  16   0.437   9.744  -9.801
  127   HD21  LEU  16          HD21      LEU  16  -3.095  10.879  -8.834
  128   HD22  LEU  16          HD22      LEU  16  -2.614  10.208 -10.389
  129   HD23  LEU  16          HD23      LEU  16  -2.873  11.944 -10.219
  130    HA   PRO  17           HA       PRO  17  -2.537  15.521  -7.298
  131    HB2  PRO  17           HB3      PRO  17  -0.453  17.054  -6.456
  132    HB3  PRO  17           HB2      PRO  17  -1.612  16.335  -5.323
  133    HG2  PRO  17           HG3      PRO  17   1.132  15.439  -6.041
  134    HG3  PRO  17           HG2      PRO  17   0.330  15.467  -4.463
  135    HD2  PRO  17           HD3      PRO  17   0.580  13.199  -6.010
  136    HD3  PRO  17           HD2      PRO  17  -0.707  13.449  -4.811
  137    H    ASP  18           H        ASP  18  -0.571  17.525  -8.141
  138    HA   ASP  18           HA       ASP  18  -0.164  16.608 -10.875
  139    HB2  ASP  18           HB3      ASP  18   0.580  19.164  -9.443
  140    HB3  ASP  18           HB2      ASP  18   0.842  18.891 -11.162
  141    H    VAL  19           H        VAL  19   1.369  15.546  -8.375
  142    HA   VAL  19           HA       VAL  19   4.129  15.963  -9.455
  143    HB   VAL  19           HB       VAL  19   3.296  15.058  -6.683
  144   HG11  VAL  19          HG11      VAL  19   5.451  14.276  -6.833
  145   HG12  VAL  19          HG12      VAL  19   5.820  15.952  -6.428
  146   HG13  VAL  19          HG13      VAL  19   5.889  15.414  -8.107
  147   HG21  VAL  19          HG21      VAL  19   3.794  17.736  -7.904
  148   HG22  VAL  19          HG22      VAL  19   4.444  17.455  -6.288
  149   HG23  VAL  19          HG23      VAL  19   2.714  17.287  -6.583
  150    H    ALA  20           H        ALA  20   5.272  14.162 -10.112
  151    HA   ALA  20           HA       ALA  20   3.855  11.715 -10.592
  152    HB1  ALA  20           HB1      ALA  20   6.668  12.657 -10.916
  153    HB2  ALA  20           HB2      ALA  20   5.568  11.983 -12.117
  154    HB3  ALA  20           HB3      ALA  20   6.371  10.920 -10.963
  155    HA   PRO  21           HA       PRO  21   4.199   9.650  -6.639
  156    HB2  PRO  21           HB3      PRO  21   4.990   7.222  -8.149
  157    HB3  PRO  21           HB2      PRO  21   3.655   7.455  -7.010
  158    HG2  PRO  21           HG3      PRO  21   3.342   7.285  -9.701
  159    HG3  PRO  21           HG2      PRO  21   2.227   8.134  -8.624
  160    HD2  PRO  21           HD3      PRO  21   4.103   9.251 -10.594
  161    HD3  PRO  21           HD2      PRO  21   2.708  10.010  -9.797
  162    H    ALA  22           H        ALA  22   6.730   9.238  -9.067
  163    HA   ALA  22           HA       ALA  22   8.735   8.150  -7.326
  164    HB1  ALA  22           HB1      ALA  22  10.215   9.452  -9.176
  165    HB2  ALA  22           HB2      ALA  22   8.664   9.415 -10.016
  166    HB3  ALA  22           HB3      ALA  22   9.425   7.910  -9.500
  167    H    ASP  23           H        ASP  23   7.510  11.364  -7.795
  168    HA   ASP  23           HA       ASP  23   9.791  12.534  -6.295
  169    HB2  ASP  23           HB3      ASP  23   7.475  13.803  -7.781
  170    HB3  ASP  23           HB2      ASP  23   8.684  14.718  -6.877
  171    H    VAL  24           H        VAL  24   7.145  10.931  -5.459
  172    HA   VAL  24           HA       VAL  24   6.084  12.839  -3.473
  173    HB   VAL  24           HB       VAL  24   4.807  10.936  -4.846
  174   HG11  VAL  24          HG11      VAL  24   5.424   9.504  -2.256
  175   HG12  VAL  24          HG12      VAL  24   6.344   9.201  -3.730
  176   HG13  VAL  24          HG13      VAL  24   4.613   8.869  -3.687
  177   HG21  VAL  24          HG21      VAL  24   3.105  10.925  -3.032
  178   HG22  VAL  24          HG22      VAL  24   3.746  12.543  -3.321
  179   HG23  VAL  24          HG23      VAL  24   4.298  11.610  -1.930
  180    H    ASP  25           H        ASP  25   6.462  12.654  -1.247
  181    HA   ASP  25           HA       ASP  25   8.926  11.368  -0.473
  182    HB2  ASP  25           HB3      ASP  25   7.948  13.444   0.590
  183    HB3  ASP  25           HB2      ASP  25   6.747  12.405   1.359
  184    H    VAL  26           H        VAL  26   8.510   9.127  -1.066
  185    HA   VAL  26           HA       VAL  26   6.337   7.602   0.034
  186    HB   VAL  26           HB       VAL  26   7.633   5.639  -0.611
  187   HG11  VAL  26          HG11      VAL  26   8.057   7.930  -2.556
  188   HG12  VAL  26          HG12      VAL  26   6.588   6.965  -2.416
  189   HG13  VAL  26          HG13      VAL  26   8.085   6.215  -2.967
  190   HG21  VAL  26          HG21      VAL  26   9.909   7.631  -0.710
  191   HG22  VAL  26          HG22      VAL  26   9.992   6.065  -1.517
  192   HG23  VAL  26          HG23      VAL  26   9.811   6.145   0.235
  193    H    ASP  27           H        ASP  27   8.744   9.171   1.643
  194    HA   ASP  27           HA       ASP  27   9.058   7.085   3.741
  195    HB2  ASP  27           HB3      ASP  27  10.402   9.778   3.356
  196    HB3  ASP  27           HB2      ASP  27  10.712   8.699   4.715
  197    H    LEU  28           H        LEU  28   6.728   9.108   3.008
  198    HA   LEU  28           HA       LEU  28   6.422  10.497   5.589
  199    HB2  LEU  28           HB3      LEU  28   5.735  11.567   3.439
  200    HB3  LEU  28           HB2      LEU  28   4.505  10.321   3.251
  201    HG   LEU  28           HG       LEU  28   3.576  11.012   5.495
  202   HD11  LEU  28          HD11      LEU  28   4.298  13.505   5.995
  203   HD12  LEU  28          HD12      LEU  28   5.785  13.021   5.181
  204   HD13  LEU  28          HD13      LEU  28   5.253  12.164   6.627
  205   HD21  LEU  28          HD21      LEU  28   3.594  12.652   3.015
  206   HD22  LEU  28          HD22      LEU  28   2.923  13.422   4.453
  207   HD23  LEU  28          HD23      LEU  28   2.238  11.908   3.862
  208    H    ASP  29           H        ASP  29   5.086   9.819   7.227
  209    HA   ASP  29           HA       ASP  29   4.245   7.098   7.310
  210    HB2  ASP  29           HB3      ASP  29   3.370   9.484   8.969
  211    HB3  ASP  29           HB2      ASP  29   2.953   7.811   9.344
  212    H    LEU  30           H        LEU  30   2.541   6.202   6.286
  213    HA   LEU  30           HA       LEU  30   0.733   7.640   4.672
  214    HB2  LEU  30           HB3      LEU  30   0.327   4.935   5.989
  215    HB3  LEU  30           HB2      LEU  30  -0.618   5.561   4.639
  216    HG   LEU  30           HG       LEU  30   2.372   5.054   4.621
  217   HD11  LEU  30          HD11      LEU  30   1.280   3.503   2.665
  218   HD12  LEU  30          HD12      LEU  30  -0.013   3.473   3.862
  219   HD13  LEU  30          HD13      LEU  30   1.605   2.927   4.300
  220   HD21  LEU  30          HD21      LEU  30   1.704   5.380   2.039
  221   HD22  LEU  30          HD22      LEU  30   2.182   6.739   3.055
  222   HD23  LEU  30          HD23      LEU  30   0.473   6.415   2.761
  223    H    VAL  31           H        VAL  31   0.789   7.297   8.085
  224    HA   VAL  31           HA       VAL  31  -1.919   7.361   8.802
  225    HB   VAL  31           HB       VAL  31   0.434   8.844  10.004
  226   HG11  VAL  31          HG11      VAL  31  -1.380   8.621  12.023
  227   HG12  VAL  31          HG12      VAL  31  -2.454   8.901  10.653
  228   HG13  VAL  31          HG13      VAL  31  -1.190  10.069  11.035
  229   HG21  VAL  31          HG21      VAL  31  -0.043   7.014  11.793
  230   HG22  VAL  31          HG22      VAL  31   0.769   6.533  10.303
  231   HG23  VAL  31          HG23      VAL  31  -0.952   6.214  10.511
  232    H    ASP  32           H        ASP  32   0.144  10.054   7.748
  233    HA   ASP  32           HA       ASP  32  -1.742  12.148   8.068
  234    HB2  ASP  32           HB3      ASP  32   0.405  11.764   5.957
  235    HB3  ASP  32           HB2      ASP  32  -0.486  13.268   6.194
  236    H    ASN  33           H        ASN  33  -1.300   9.782   5.491
  237    HA   ASN  33           HA       ASN  33  -3.584  10.881   3.982
  238    HB2  ASN  33           HB3      ASN  33  -1.757   8.536   3.440
  239    HB3  ASN  33           HB2      ASN  33  -3.042   9.070   2.360
  240   HD21  ASN  33          HD21      ASN  33  -0.374   9.101   1.456
  241   HD22  ASN  33          HD22      ASN  33   0.143  10.709   1.290
  242    H    GLY  34           H        GLY  34  -3.721   9.521   6.706
  243    HA2  GLY  34           HA3      GLY  34  -4.759   6.972   6.730
  244    HA3  GLY  34           HA2      GLY  34  -5.426   8.257   7.737
  245    H    VAL  35           H        VAL  35  -6.019   9.637   4.977
  246    HA   VAL  35           HA       VAL  35  -8.783   9.065   4.878
  247    HB   VAL  35           HB       VAL  35  -7.471  10.970   3.728
  248   HG11  VAL  35          HG11      VAL  35  -6.090   9.153   2.487
  249   HG12  VAL  35          HG12      VAL  35  -6.598  10.579   1.581
  250   HG13  VAL  35          HG13      VAL  35  -7.476   9.060   1.404
  251   HG21  VAL  35          HG21      VAL  35  -9.887   9.505   2.840
  252   HG22  VAL  35          HG22      VAL  35  -9.198  10.598   1.641
  253   HG23  VAL  35          HG23      VAL  35  -9.686  11.215   3.220
  254    H    ILE  36           H        ILE  36  -6.069   7.481   3.312
  255    HA   ILE  36           HA       ILE  36  -7.639   5.801   1.558
  256    HB   ILE  36           HB       ILE  36  -5.060   6.390   1.567
  257   HG12  ILE  36          HG13      ILE  36  -6.255   3.698   0.849
  258   HG13  ILE  36          HG12      ILE  36  -6.033   5.093  -0.211
  259   HG21  ILE  36          HG21      ILE  36  -3.660   4.853   2.694
  260   HG22  ILE  36          HG22      ILE  36  -4.987   3.727   2.985
  261   HG23  ILE  36          HG23      ILE  36  -4.904   5.243   3.883
  262   HD11  ILE  36          HD11      ILE  36  -3.497   4.820   0.486
  263   HD12  ILE  36          HD12      ILE  36  -4.182   3.826  -0.799
  264   HD13  ILE  36          HD13      ILE  36  -3.993   3.160   0.823
  265    H    ASP  37           H        ASP  37  -6.900   5.719   4.925
  266    HA   ASP  37           HA       ASP  37  -6.915   2.950   5.468
  267    HB2  ASP  37           HB3      ASP  37  -7.987   5.221   7.160
  268    HB3  ASP  37           HB2      ASP  37  -7.690   3.586   7.743
  269    H    SER  38           H        SER  38  -9.661   5.095   4.821
  270    HA   SER  38           HA       SER  38 -11.450   2.735   5.261
  271    HB2  SER  38          2HB       SER  38 -12.167   5.672   5.357
  272    HB3  SER  38          1HB       SER  38 -13.250   4.327   5.701
  273    H    LEU  39           H        LEU  39 -11.610   5.767   3.352
  274    HA   LEU  39           HA       LEU  39 -13.321   4.624   1.381
  275    HB2  LEU  39           HB3      LEU  39 -13.019   7.074   1.764
  276    HB3  LEU  39           HB2      LEU  39 -11.425   6.946   1.027
  277    HG   LEU  39           HG       LEU  39 -13.607   5.763  -0.566
  278   HD11  LEU  39          HD11      LEU  39 -14.193   8.129  -1.401
  279   HD12  LEU  39          HD12      LEU  39 -13.504   8.702   0.118
  280   HD13  LEU  39          HD13      LEU  39 -14.900   7.626   0.134
  281   HD21  LEU  39          HD21      LEU  39 -11.646   7.882  -1.414
  282   HD22  LEU  39          HD22      LEU  39 -12.308   6.547  -2.356
  283   HD23  LEU  39          HD23      LEU  39 -11.089   6.235  -1.121
  284    H    GLY  40           H        GLY  40  -9.820   5.260   1.280
  285    HA2  GLY  40           HA3      GLY  40  -9.470   3.958  -1.274
  286    HA3  GLY  40           HA2      GLY  40  -8.182   4.396  -0.157
  287    H    LEU  41           H        LEU  41  -9.083   2.938   2.095
  288    HA   LEU  41           HA       LEU  41  -7.915   0.402   1.636
  289    HB2  LEU  41           HB3      LEU  41  -8.207   1.527   3.862
  290    HB3  LEU  41           HB2      LEU  41  -9.919   1.120   3.789
  291    HG   LEU  41           HG       LEU  41  -9.128  -1.312   3.432
  292   HD11  LEU  41          HD11      LEU  41  -6.731  -0.888   4.997
  293   HD12  LEU  41          HD12      LEU  41  -6.621  -0.013   3.470
  294   HD13  LEU  41          HD13      LEU  41  -6.916  -1.749   3.470
  295   HD21  LEU  41          HD21      LEU  41 -10.143  -0.332   5.531
  296   HD22  LEU  41          HD22      LEU  41  -8.505  -0.020   6.104
  297   HD23  LEU  41          HD23      LEU  41  -9.042  -1.675   5.825
  298    H    LEU  42           H        LEU  42 -11.332   1.391   1.675
  299    HA   LEU  42           HA       LEU  42 -12.420  -1.239   1.391
  300    HB2  LEU  42           HB3      LEU  42 -13.737   0.819   1.977
  301    HB3  LEU  42           HB2      LEU  42 -13.573   1.346   0.308
  302    HG   LEU  42           HG       LEU  42 -14.540  -1.043  -0.238
  303   HD11  LEU  42          HD11      LEU  42 -16.178  -1.725   1.519
  304   HD12  LEU  42          HD12      LEU  42 -15.474  -0.517   2.592
  305   HD13  LEU  42          HD13      LEU  42 -14.504  -1.883   2.045
  306   HD21  LEU  42          HD21      LEU  42 -16.209   1.235   0.875
  307   HD22  LEU  42          HD22      LEU  42 -16.831  -0.073  -0.132
  308   HD23  LEU  42          HD23      LEU  42 -15.660   1.069  -0.793
  309    H    LYS  43           H        LYS  43 -11.467   1.198  -1.033
  310    HA   LYS  43           HA       LYS  43 -12.228  -0.376  -3.308
  311    HB2  LYS  43           HB3      LYS  43 -10.197   1.841  -3.014
  312    HB3  LYS  43           HB2      LYS  43 -10.724   1.176  -4.555
  313    HG2  LYS  43           HG3      LYS  43 -13.077   1.774  -3.960
  314    HG3  LYS  43           HG2      LYS  43 -12.472   2.551  -2.496
  315    HD2  LYS  43           HD3      LYS  43 -11.046   4.028  -3.914
  316    HD3  LYS  43           HD2      LYS  43 -11.772   3.304  -5.349
  317    HE2  LYS  43           HE3      LYS  43 -13.971   4.100  -4.709
  318    HE3  LYS  43           HE2      LYS  43 -13.356   4.681  -3.162
  319    HZ1  LYS  43           HZ1      LYS  43 -11.806   6.107  -4.527
  320    HZ2  LYS  43           HZ2      LYS  43 -13.446   6.548  -4.552
  321    HZ3  LYS  43           HZ3      LYS  43 -12.766   5.719  -5.870
  322    H    VAL  44           H        VAL  44  -9.182  -0.050  -1.512
  323    HA   VAL  44           HA       VAL  44  -7.597  -1.651  -3.284
  324    HB   VAL  44           HB       VAL  44  -7.318  -1.113  -0.315
  325   HG11  VAL  44          HG11      VAL  44  -5.418  -2.370  -2.314
  326   HG12  VAL  44          HG12      VAL  44  -6.069  -3.113  -0.854
  327   HG13  VAL  44          HG13      VAL  44  -4.923  -1.779  -0.727
  328   HG21  VAL  44          HG21      VAL  44  -5.505   0.057  -2.361
  329   HG22  VAL  44          HG22      VAL  44  -6.158   0.780  -0.891
  330   HG23  VAL  44          HG23      VAL  44  -7.155   0.676  -2.342
  331    H    ILE  45           H        ILE  45  -9.505  -2.499  -0.400
  332    HA   ILE  45           HA       ILE  45  -8.723  -5.228  -0.253
  333    HB   ILE  45           HB       ILE  45 -10.950  -3.563   0.769
  334   HG12  ILE  45          HG13      ILE  45 -10.262  -4.500   2.866
  335   HG13  ILE  45          HG12      ILE  45  -9.403  -5.816   2.069
  336   HG21  ILE  45          HG21      ILE  45 -12.096  -5.678   1.619
  337   HG22  ILE  45          HG22      ILE  45 -11.184  -6.555   0.393
  338   HG23  ILE  45          HG23      ILE  45 -12.336  -5.307  -0.088
  339   HD11  ILE  45          HD11      ILE  45  -7.586  -4.510   1.582
  340   HD12  ILE  45          HD12      ILE  45  -8.172  -3.576   2.953
  341   HD13  ILE  45          HD13      ILE  45  -8.563  -3.070   1.317
  342    H    ALA  46           H        ALA  46 -11.563  -3.765  -1.871
  343    HA   ALA  46           HA       ALA  46 -12.473  -6.235  -3.014
  344    HB1  ALA  46           HB1      ALA  46 -12.893  -3.474  -4.184
  345    HB2  ALA  46           HB2      ALA  46 -13.800  -4.072  -2.795
  346    HB3  ALA  46           HB3      ALA  46 -13.937  -4.885  -4.354
  347    H    TRP  47           H        TRP  47 -10.102  -3.849  -4.021
  348    HA   TRP  47           HA       TRP  47  -9.854  -4.820  -6.738
  349    HB2  TRP  47           HB3      TRP  47  -9.116  -2.588  -6.313
  350    HB3  TRP  47           HB2      TRP  47  -8.094  -3.107  -4.974
  351    HD1  TRP  47           HD1      TRP  47  -8.343  -3.397  -8.805
  352    HE1  TRP  47           HE1      TRP  47  -5.977  -3.827  -9.735
  353    HE3  TRP  47           HE3      TRP  47  -5.752  -3.880  -4.434
  354    HZ2  TRP  47           HZ2      TRP  47  -3.332  -4.313  -8.753
  355    HZ3  TRP  47           HZ3      TRP  47  -3.314  -4.325  -4.458
  356    HH2  TRP  47           HH2      TRP  47  -2.104  -4.540  -6.609
  357    H    LEU  48           H        LEU  48  -7.928  -5.304  -3.767
  358    HA   LEU  48           HA       LEU  48  -5.981  -7.007  -4.943
  359    HB2  LEU  48           HB3      LEU  48  -5.881  -5.929  -2.653
  360    HB3  LEU  48           HB2      LEU  48  -6.998  -7.166  -2.100
  361    HG   LEU  48           HG       LEU  48  -5.266  -8.812  -3.179
  362   HD11  LEU  48          HD11      LEU  48  -3.177  -8.005  -3.631
  363   HD12  LEU  48          HD12      LEU  48  -3.251  -6.818  -2.330
  364   HD13  LEU  48          HD13      LEU  48  -4.049  -6.491  -3.867
  365   HD21  LEU  48          HD21      LEU  48  -3.854  -8.308  -0.904
  366   HD22  LEU  48          HD22      LEU  48  -5.393  -9.169  -0.922
  367   HD23  LEU  48          HD23      LEU  48  -5.350  -7.446  -0.551
  368    H    GLU  49           H        GLU  49  -9.049  -7.796  -3.294
  369    HA   GLU  49           HA       GLU  49  -8.759 -10.642  -3.588
  370    HB2  GLU  49           HB3      GLU  49 -10.314  -9.660  -1.961
  371    HB3  GLU  49           HB2      GLU  49 -11.266  -8.965  -3.264
  372    HG2  GLU  49           HG3      GLU  49 -11.709 -11.245  -4.126
  373    HG3  GLU  49           HG2      GLU  49 -10.809 -11.913  -2.773
  374    H    ASP  50           H        ASP  50 -10.202  -8.135  -5.631
  375    HA   ASP  50           HA       ASP  50 -11.495  -9.870  -7.477
  376    HB2  ASP  50           HB3      ASP  50 -11.786  -7.376  -7.326
  377    HB3  ASP  50           HB2      ASP  50 -10.220  -7.212  -8.118
  378    H    ARG  51           H        ARG  51  -8.187  -8.535  -7.515
  379    HA   ARG  51           HA       ARG  51  -7.574 -10.016  -9.972
  380    HB2  ARG  51           HB3      ARG  51  -5.893  -8.261  -8.170
  381    HB3  ARG  51           HB2      ARG  51  -5.304  -9.004  -9.654
  382    HG2  ARG  51           HG3      ARG  51  -7.151  -7.867 -10.903
  383    HG3  ARG  51           HG2      ARG  51  -7.594  -7.036  -9.411
  384    HD2  ARG  51           HD3      ARG  51  -5.249  -6.132  -9.300
  385    HD3  ARG  51           HD2      ARG  51  -4.960  -6.829 -10.894
  386    HE   ARG  51           HE       ARG  51  -7.288  -5.037 -10.715
  387   HH11  ARG  51          HH11      ARG  51  -7.150  -3.203 -12.027
  388   HH12  ARG  51          HH12      ARG  51  -5.636  -2.793 -12.764
  389   HH21  ARG  51          HH21      ARG  51  -3.938  -5.491 -11.401
  390   HH22  ARG  51          HH22      ARG  51  -3.820  -4.089 -12.411
  391    H    PHE  52           H        PHE  52  -6.304 -10.054  -6.609
  392    HA   PHE  52           HA       PHE  52  -4.755 -12.458  -7.162
  393    HB2  PHE  52           HB3      PHE  52  -5.353 -10.952  -4.607
  394    HB3  PHE  52           HB2      PHE  52  -4.284 -12.349  -4.697
  395    HD1  PHE  52           HD1      PHE  52  -4.699  -8.807  -5.513
  396    HD2  PHE  52           HD2      PHE  52  -2.174 -12.249  -5.992
  397    HE1  PHE  52           HE1      PHE  52  -2.846  -7.343  -6.265
  398    HE2  PHE  52           HE2      PHE  52  -0.321 -10.784  -6.745
  399    HZ   PHE  52           HZ       PHE  52  -0.656  -8.331  -6.881
  400    H    GLY  53           H        GLY  53  -7.959 -11.815  -5.899
  401    HA2  GLY  53           HA3      GLY  53  -9.672 -13.415  -5.510
  402    HA3  GLY  53           HA2      GLY  53  -8.519 -14.687  -5.914
  403    H    ILE  54           H        ILE  54  -7.703 -12.262  -3.544
  404    HA   ILE  54           HA       ILE  54  -7.754 -14.389  -1.454
  405    HB   ILE  54           HB       ILE  54  -6.284 -11.734  -1.489
  406   HG12  ILE  54          HG13      ILE  54  -5.142 -14.516  -1.845
  407   HG13  ILE  54          HG12      ILE  54  -5.588 -13.492  -3.211
  408   HG21  ILE  54          HG21      ILE  54  -5.220 -13.793   0.240
  409   HG22  ILE  54          HG22      ILE  54  -6.914 -13.494   0.627
  410   HG23  ILE  54          HG23      ILE  54  -5.755 -12.166   0.657
  411   HD11  ILE  54          HD11      ILE  54  -4.035 -11.769  -2.496
  412   HD12  ILE  54          HD12      ILE  54  -3.168 -13.303  -2.583
  413   HD13  ILE  54          HD13      ILE  54  -3.668 -12.660  -1.019
  414    H    ALA  55           H        ALA  55  -8.856 -14.024   0.488
  415    HA   ALA  55           HA       ALA  55 -11.130 -12.314   0.435
  416    HB1  ALA  55           HB1      ALA  55  -9.789 -14.039   2.436
  417    HB2  ALA  55           HB2      ALA  55 -11.497 -13.924   2.011
  418    HB3  ALA  55           HB3      ALA  55 -10.777 -12.738   3.100
  419    H    ALA  56           H        ALA  56 -11.555 -10.418   1.762
  420    HA   ALA  56           HA       ALA  56  -9.647  -8.366   1.533
  421    HB1  ALA  56           HB1      ALA  56 -12.066  -7.983   1.944
  422    HB2  ALA  56           HB2      ALA  56 -11.062  -7.091   3.087
  423    HB3  ALA  56           HB3      ALA  56 -11.867  -8.576   3.594
  424    H    ASP  57           H        ASP  57  -9.878 -10.892   3.878
  425    HA   ASP  57           HA       ASP  57  -8.589 -11.401   5.761
  426    HB2  ASP  57           HB3      ASP  57  -6.688  -9.500   4.382
  427    HB3  ASP  57           HB2      ASP  57  -6.256 -10.525   5.745
  428    H    ASP  58           H        ASP  58 -10.553  -9.532   6.258
  429    HA   ASP  58           HA       ASP  58  -9.267  -7.359   7.821
  430    HB2  ASP  58           HB3      ASP  58 -12.159  -7.916   7.132
  431    HB3  ASP  58           HB2      ASP  58 -11.620  -6.553   8.110
  432    H    VAL  59           H        VAL  59  -9.452 -10.369   8.473
  433    HA   VAL  59           HA       VAL  59 -11.206 -10.838  10.618
  434    HB   VAL  59           HB       VAL  59  -8.423 -11.882  10.109
  435   HG11  VAL  59          HG11      VAL  59  -9.442 -13.774  11.665
  436   HG12  VAL  59          HG12      VAL  59 -10.393 -12.430  12.297
  437   HG13  VAL  59          HG13      VAL  59  -8.631 -12.374  12.367
  438   HG21  VAL  59          HG21      VAL  59  -9.587 -13.825   9.241
  439   HG22  VAL  59          HG22      VAL  59 -10.254 -12.394   8.455
  440   HG23  VAL  59          HG23      VAL  59 -11.143 -13.177   9.762
  441    H    GLU  60           H        GLU  60  -7.964  -9.347  10.701
  442    HA   GLU  60           HA       GLU  60  -8.700  -7.992  13.196
  443    HB2  GLU  60           HB3      GLU  60  -7.913 -10.283  13.908
  444    HB3  GLU  60           HB2      GLU  60  -6.338  -9.884  13.234
  445    HG2  GLU  60           HG3      GLU  60  -6.255  -7.890  14.720
  446    HG3  GLU  60           HG2      GLU  60  -7.770  -8.409  15.446
  447    H    LEU  61           H        LEU  61  -8.228  -6.494  11.164
  448    HA   LEU  61           HA       LEU  61  -5.319  -5.863  11.058
  449    HB2  LEU  61           HB3      LEU  61  -7.632  -5.297   9.220
  450    HB3  LEU  61           HB2      LEU  61  -6.179  -4.304   9.141
  451    HG   LEU  61           HG       LEU  61  -6.239  -6.316   7.570
  452   HD11  LEU  61          HD11      LEU  61  -4.127  -5.271   9.206
  453   HD12  LEU  61          HD12      LEU  61  -4.024  -5.945   7.581
  454   HD13  LEU  61          HD13      LEU  61  -3.866  -7.001   8.983
  455   HD21  LEU  61          HD21      LEU  61  -5.570  -7.894  10.056
  456   HD22  LEU  61          HD22      LEU  61  -5.950  -8.498   8.446
  457   HD23  LEU  61          HD23      LEU  61  -7.222  -7.797   9.444
  458    H    SER  62           H        SER  62  -4.590  -3.832  11.734
  459    HA   SER  62           HA       SER  62  -6.654  -1.985  12.850
  460    HB2  SER  62           HB3      SER  62  -5.797  -2.399  14.893
  461    HB3  SER  62           HB2      SER  62  -4.501  -3.373  14.206
  462    HG   SER  62           HG       SER  62  -4.547  -0.709  14.957
  463    HA   PRO  63           HA       PRO  63  -4.775   1.339  10.686
  464    HB2  PRO  63           HB3      PRO  63  -4.470   3.232  12.709
  465    HB3  PRO  63           HB2      PRO  63  -5.960   2.940  11.795
  466    HG2  PRO  63           HG3      PRO  63  -5.191   2.023  14.506
  467    HG3  PRO  63           HG2      PRO  63  -6.780   2.481  13.872
  468    HD2  PRO  63           HD3      PRO  63  -6.066  -0.113  14.267
  469    HD3  PRO  63           HD2      PRO  63  -7.178   0.382  12.971
  470    H    GLU  64           H        GLU  64  -3.170   0.232  13.599
  471    HA   GLU  64           HA       GLU  64  -0.742   1.712  13.354
  472    HB2  GLU  64           HB3      GLU  64  -1.239  -1.039  14.498
  473    HB3  GLU  64           HB2      GLU  64   0.248  -0.130  14.712
  474    HG2  GLU  64           HG3      GLU  64  -1.056   1.699  15.756
  475    HG3  GLU  64           HG2      GLU  64  -2.508   0.719  15.607
  476    H    HIS  65           H        HIS  65  -1.902  -1.195  11.760
  477    HA   HIS  65           HA       HIS  65   0.629  -2.010  10.659
  478    HB2  HIS  65           HB3      HIS  65  -1.225  -3.576  10.732
  479    HB3  HIS  65           HB2      HIS  65  -2.210  -2.515   9.724
  480    HD1  HIS  65           HD1      HIS  65  -2.102  -2.957   7.273
  481    HD2  HIS  65           HD2      HIS  65   1.262  -4.436   9.248
  482    HE1  HIS  65           HE1      HIS  65  -0.712  -4.157   5.525
  483    HE2  HIS  65           HE2      HIS  65   1.339  -5.054   6.716
  484    H    PHE  66           H        PHE  66  -1.721   0.404   9.732
  485    HA   PHE  66           HA       PHE  66  -0.441   0.752   7.081
  486    HB2  PHE  66           HB3      PHE  66  -2.797   2.168   8.368
  487    HB3  PHE  66           HB2      PHE  66  -2.239   2.423   6.714
  488    HD1  PHE  66           HD1      PHE  66  -2.542   0.712   4.995
  489    HD2  PHE  66           HD2      PHE  66  -3.873   0.069   9.026
  490    HE1  PHE  66           HE1      PHE  66  -3.866  -1.246   4.246
  491    HE2  PHE  66           HE2      PHE  66  -5.198  -1.888   8.278
  492    HZ   PHE  66           HZ       PHE  66  -5.195  -2.547   5.888
  493    H    ARG  67           H        ARG  67   0.656   1.470   9.912
  494    HA   ARG  67           HA       ARG  67   0.863   4.250  10.233
  495    HB2  ARG  67           HB3      ARG  67   1.740   2.543  11.830
  496    HB3  ARG  67           HB2      ARG  67   3.057   2.209  10.712
  497    HG2  ARG  67           HG3      ARG  67   4.029   3.737  12.196
  498    HG3  ARG  67           HG2      ARG  67   3.509   4.777  10.878
  499    HD2  ARG  67           HD3      ARG  67   1.440   5.320  12.115
  500    HD3  ARG  67           HD2      ARG  67   1.962   4.277  13.435
  501    HE   ARG  67           HE       ARG  67   4.032   6.154  12.975
  502   HH11  ARG  67          HH11      ARG  67   4.179   7.985  14.292
  503   HH12  ARG  67          HH12      ARG  67   2.780   8.527  15.158
  504   HH21  ARG  67          HH21      ARG  67   0.730   6.003  13.955
  505   HH22  ARG  67          HH22      ARG  67   0.828   7.404  14.967
  506    H    SER  68           H        SER  68   2.758   2.121   8.096
  507    HA   SER  68           HA       SER  68   3.519   4.505   6.525
  508    HB2  SER  68           HB3      SER  68   5.890   4.085   6.631
  509    HB3  SER  68           HB2      SER  68   5.298   4.169   8.287
  510    HG   SER  68           HG       SER  68   5.181   1.672   7.130
  511    H    ILE  69           H        ILE  69   4.651   3.834   4.462
  512    HA   ILE  69           HA       ILE  69   3.204   1.818   3.099
  513    HB   ILE  69           HB       ILE  69   5.902   3.032   2.442
  514   HG12  ILE  69          HG13      ILE  69   3.163   3.751   1.402
  515   HG13  ILE  69          HG12      ILE  69   3.939   4.599   2.732
  516   HG21  ILE  69          HG21      ILE  69   3.915   1.442   0.831
  517   HG22  ILE  69          HG22      ILE  69   5.610   1.057   1.128
  518   HG23  ILE  69          HG23      ILE  69   5.180   2.422   0.097
  519   HD11  ILE  69          HD11      ILE  69   5.016   4.322  -0.085
  520   HD12  ILE  69          HD12      ILE  69   5.876   5.093   1.247
  521   HD13  ILE  69          HD13      ILE  69   4.374   5.794   0.644
  522    H    ARG  70           H        ARG  70   6.348   1.709   4.744
  523    HA   ARG  70           HA       ARG  70   7.199  -0.826   3.776
  524    HB2  ARG  70           HB3      ARG  70   7.705   0.498   6.457
  525    HB3  ARG  70           HB2      ARG  70   8.579  -0.912   5.857
  526    HG2  ARG  70           HG3      ARG  70   9.264   0.421   3.855
  527    HG3  ARG  70           HG2      ARG  70   8.492   1.834   4.573
  528    HD2  ARG  70           HD3      ARG  70  10.778   0.244   5.774
  529    HD3  ARG  70           HD2      ARG  70  10.886   1.862   5.079
  530    HE   ARG  70           HE       ARG  70   8.931   2.016   7.091
  531   HH11  ARG  70          HH11      ARG  70   9.477   2.713   9.171
  532   HH12  ARG  70          HH12      ARG  70  11.118   2.588   9.710
  533   HH21  ARG  70          HH21      ARG  70  12.263   1.201   6.745
  534   HH22  ARG  70          HH22      ARG  70  12.696   1.732   8.336
  535    H    SER  71           H        SER  71   5.094   0.013   6.525
  536    HA   SER  71           HA       SER  71   4.891  -2.612   7.612
  537    HB2  SER  71           HB3      SER  71   2.802  -0.417   7.569
  538    HB3  SER  71           HB2      SER  71   2.824  -1.798   8.658
  539    HG   SER  71           HG       SER  71   4.652   0.357   8.481
  540    H    ILE  72           H        ILE  72   2.980  -0.955   5.102
  541    HA   ILE  72           HA       ILE  72   1.119  -3.082   4.683
  542    HB   ILE  72           HB       ILE  72   2.101  -0.954   2.759
  543   HG12  ILE  72          HG13      ILE  72  -0.331  -1.012   4.577
  544   HG13  ILE  72          HG12      ILE  72   1.140  -0.093   4.901
  545   HG21  ILE  72          HG21      ILE  72   0.965  -2.793   1.617
  546   HG22  ILE  72          HG22      ILE  72  -0.077  -1.371   1.644
  547   HG23  ILE  72          HG23      ILE  72  -0.371  -2.702   2.762
  548   HD11  ILE  72          HD11      ILE  72   0.825   1.219   2.878
  549   HD12  ILE  72          HD12      ILE  72  -0.658   1.281   3.831
  550   HD13  ILE  72          HD13      ILE  72  -0.563   0.234   2.416
  551    H    ASP  73           H        ASP  73   4.290  -2.336   3.282
  552    HA   ASP  73           HA       ASP  73   4.317  -4.250   1.207
  553    HB2  ASP  73           HB3      ASP  73   6.557  -3.256   2.992
  554    HB3  ASP  73           HB2      ASP  73   6.811  -4.230   1.548
  555    H    ALA  74           H        ALA  74   4.954  -4.613   4.678
  556    HA   ALA  74           HA       ALA  74   5.913  -7.301   4.582
  557    HB1  ALA  74           HB1      ALA  74   5.931  -5.694   6.581
  558    HB2  ALA  74           HB2      ALA  74   5.510  -7.370   6.934
  559    HB3  ALA  74           HB3      ALA  74   4.244  -6.147   6.825
  560    H    PHE  75           H        PHE  75   2.624  -5.975   4.922
  561    HA   PHE  75           HA       PHE  75   1.311  -8.513   5.162
  562    HB2  PHE  75           HB3      PHE  75   0.232  -6.326   5.677
  563    HB3  PHE  75           HB2      PHE  75   0.215  -5.968   3.953
  564    HD1  PHE  75           HD1      PHE  75  -1.352  -7.027   2.460
  565    HD2  PHE  75           HD2      PHE  75  -1.109  -8.217   6.580
  566    HE1  PHE  75           HE1      PHE  75  -3.456  -8.315   2.212
  567    HE2  PHE  75           HE2      PHE  75  -3.213  -9.506   6.331
  568    HZ   PHE  75           HZ       PHE  75  -4.387  -9.555   4.147
  569    H    VAL  76           H        VAL  76   1.941  -6.435   2.332
  570    HA   VAL  76           HA       VAL  76   0.779  -8.200   0.409
  571    HB   VAL  76           HB       VAL  76   2.924  -6.073   0.183
  572   HG11  VAL  76          HG11      VAL  76   1.542  -7.749  -1.915
  573   HG12  VAL  76          HG12      VAL  76   3.274  -7.527  -1.671
  574   HG13  VAL  76          HG13      VAL  76   2.292  -6.198  -2.289
  575   HG21  VAL  76          HG21      VAL  76   0.091  -6.005   0.477
  576   HG22  VAL  76          HG22      VAL  76   0.455  -5.530  -1.182
  577   HG23  VAL  76          HG23      VAL  76   1.177  -4.650   0.164
  578    H    VAL  77           H        VAL  77   4.074  -7.879   1.699
  579    HA   VAL  77           HA       VAL  77   5.376  -9.700  -0.022
  580    HB   VAL  77           HB       VAL  77   5.843  -8.993   2.880
  581   HG11  VAL  77          HG11      VAL  77   7.448 -10.700   0.973
  582   HG12  VAL  77          HG12      VAL  77   6.848 -11.137   2.571
  583   HG13  VAL  77          HG13      VAL  77   8.149  -9.957   2.411
  584   HG21  VAL  77          HG21      VAL  77   7.747  -8.248   0.740
  585   HG22  VAL  77          HG22      VAL  77   7.136  -7.285   2.086
  586   HG23  VAL  77          HG23      VAL  77   6.165  -7.477   0.627
  587    H    GLY  78           H        GLY  78   3.657 -10.266   3.049
  588    HA2  GLY  78           HA3      GLY  78   4.184 -13.077   3.175
  589    HA3  GLY  78           HA2      GLY  78   2.865 -12.256   4.005
  590    H    ALA  79           H        ALA  79   1.483 -11.242   1.738
  591    HA   ALA  79           HA       ALA  79   0.072 -13.659   0.931
  592    HB1  ALA  79           HB1      ALA  79  -0.604 -10.980   1.159
  593    HB2  ALA  79           HB2      ALA  79  -1.610 -12.231   0.427
  594    HB3  ALA  79           HB3      ALA  79  -0.564 -11.237  -0.586
  595    H    THR  80           H        THR  80   1.944 -11.181  -0.802
  596    HA   THR  80           HA       THR  80   2.488 -13.217  -2.922
  597    HB   THR  80           HB       THR  80   2.269 -11.551  -4.630
  598    HG1  THR  80           HG1      THR  80   2.262  -9.442  -4.208
  599   HG21  THR  80          HG21      THR  80  -0.030 -10.546  -3.119
  600   HG22  THR  80          HG22      THR  80   0.137 -12.300  -3.032
  601   HG23  THR  80          HG23      THR  80   0.010 -11.503  -4.600
  602    H    THR  81           H        THR  81   4.618 -12.869  -3.973
  603    HA   THR  81           HA       THR  81   6.413 -11.040  -2.469
  604    HB   THR  81           HB       THR  81   6.787 -13.066  -1.311
  605    HG1  THR  81           HG1      THR  81   8.832 -12.845  -1.633
  606   HG21  THR  81          HG21      THR  81   5.704 -14.753  -2.468
  607   HG22  THR  81          HG22      THR  81   7.383 -15.144  -2.843
  608   HG23  THR  81          HG23      THR  81   6.396 -14.279  -4.020
  609    HA   PRO  82           HA       PRO  82   7.183 -10.756  -7.010
  610    HB2  PRO  82           HB3      PRO  82   7.864  -7.973  -6.415
  611    HB3  PRO  82           HB2      PRO  82   6.608  -8.604  -7.489
  612    HG2  PRO  82           HG3      PRO  82   6.096  -7.343  -5.137
  613    HG3  PRO  82           HG2      PRO  82   5.016  -8.536  -5.876
  614    HD2  PRO  82           HD3      PRO  82   6.879  -8.863  -3.560
  615    HD3  PRO  82           HD2      PRO  82   5.306  -9.635  -3.868
  616    HA   PRO  83           HA       PRO  83  11.615 -10.778  -7.085
  617    HB2  PRO  83           HB3      PRO  83  11.892  -8.279  -8.642
  618    HB3  PRO  83           HB2      PRO  83  12.373  -9.929  -9.069
  619    HG2  PRO  83           HG3      PRO  83  10.281  -8.686 -10.212
  620    HG3  PRO  83           HG2      PRO  83  10.338 -10.438  -9.960
  621    HD2  PRO  83           HD3      PRO  83   8.794  -8.370  -8.457
  622    HD3  PRO  83           HD2      PRO  83   8.381 -10.064  -8.799
  623    H    VAL  84           H        VAL  84  13.421  -9.937  -5.933
  624    HA   VAL  84           HA       VAL  84  12.949  -7.333  -4.529
  625    HB   VAL  84           HB       VAL  84  13.976  -8.276  -2.535
  626   HG11  VAL  84          HG11      VAL  84  11.536  -9.208  -3.702
  627   HG12  VAL  84          HG12      VAL  84  11.930  -9.034  -1.992
  628   HG13  VAL  84          HG13      VAL  84  12.274 -10.549  -2.827
  629   HG21  VAL  84          HG21      VAL  84  15.592  -9.812  -3.147
  630   HG22  VAL  84          HG22      VAL  84  14.602 -10.494  -4.437
  631   HG23  VAL  84          HG23      VAL  84  14.282 -10.926  -2.757
  632    H    GLU  85           H        GLU  85  14.720  -5.970  -4.371
  633    HA   GLU  85           HA       GLU  85  17.357  -6.970  -5.279
  634    HB2  GLU  85           HB3      GLU  85  15.938  -4.554  -6.444
  635    HB3  GLU  85           HB2      GLU  85  17.618  -4.986  -6.763
  636    HG2  GLU  85           HG3      GLU  85  15.226  -6.750  -7.365
  637    HG3  GLU  85           HG2      GLU  85  16.104  -5.793  -8.558
  638    H    ALA  86           H        ALA  86  15.457  -4.311  -3.893
  639    HA   ALA  86           HA       ALA  86  16.854  -3.897  -1.566
  640    HB1  ALA  86           HB1      ALA  86  18.969  -3.470  -2.363
  641    HB2  ALA  86           HB2      ALA  86  18.318  -1.837  -2.493
  642    HB3  ALA  86           HB3      ALA  86  18.376  -2.878  -3.915
  643    H    LYS  87           H        LYS  87  14.814  -3.065  -0.970
  644    HA   LYS  87           HA       LYS  87  13.362  -1.065  -2.363
  645    HB2  LYS  87           HB3      LYS  87  12.473  -2.432  -0.458
  646    HB3  LYS  87           HB2      LYS  87  13.454  -1.465   0.643
  647    HG2  LYS  87           HG3      LYS  87  12.292   0.583  -0.153
  648    HG3  LYS  87           HG2      LYS  87  11.274  -0.418  -1.189
  649    HD2  LYS  87           HD3      LYS  87  10.527  -1.668   0.858
  650    HD3  LYS  87           HD2      LYS  87  11.419  -0.504   1.837
  651    HE2  LYS  87           HE3      LYS  87   8.979   0.053   1.595
  652    HE3  LYS  87           HE2      LYS  87  10.053   1.325   1.013
  653    HZ1  LYS  87           HZ1      LYS  87   9.437  -0.599  -1.010
  654    HZ2  LYS  87           HZ2      LYS  87   9.298   1.094  -1.048
  655    HZ3  LYS  87           HZ3      LYS  87   8.042   0.150  -0.402
  656    H    LEU  88           H        LEU  88  15.936  -0.787   0.061
  657    HA   LEU  88           HA       LEU  88  15.859   2.175  -0.258
  658    HB2  LEU  88           HB3      LEU  88  15.836   1.219   2.060
  659    HB3  LEU  88           HB2      LEU  88  17.417   0.509   1.740
  660    HG   LEU  88           HG       LEU  88  18.245   2.840   1.185
  661   HD11  LEU  88          HD11      LEU  88  15.444   3.448   2.086
  662   HD12  LEU  88          HD12      LEU  88  16.367   4.154   0.761
  663   HD13  LEU  88          HD13      LEU  88  16.731   4.603   2.426
  664   HD21  LEU  88          HD21      LEU  88  18.225   3.553   3.648
  665   HD22  LEU  88          HD22      LEU  88  18.853   1.941   3.310
  666   HD23  LEU  88          HD23      LEU  88  17.218   2.135   3.942
  667    H    GLN  89           H        GLN  89  17.448   3.169  -1.426
  668    HA   GLN  89           HA       GLN  89  20.148   2.190  -1.608
  669    HB2  GLN  89           HB3      GLN  89  18.977   0.509  -3.060
  670    HB3  GLN  89           HB2      GLN  89  18.470   1.833  -4.110
  671    HG2  GLN  89           HG3      GLN  89  20.818   2.428  -4.524
  672    HG3  GLN  89           HG2      GLN  89  21.346   1.136  -3.445
  673   HE21  GLN  89          HE21      GLN  89  22.304   0.917  -6.000
  674   HE22  GLN  89          HE22      GLN  89  21.476  -0.285  -6.866
  675    H3   7V9 101          1H1       NIA 101 -10.968   1.554   7.907
  676    H4   7V9 101          2H1       NIA 101 -12.363   1.183   8.921
  677    H5   7V9 101          1HE1      NIA 101 -10.116   1.653  12.029
  678    H6   7V9 101          2HE1      NIA 101 -11.485   2.515  11.327
  679    H7   7V9 101          3HE1      NIA 101  -9.837   2.996  10.920
  680    H8   7V9 101          2HE2      NIA 101  -8.851   1.901   8.774
  681    H9   7V9 101          3HE2      NIA 101  -8.990   0.143   8.833
  682    H10  7V9 101          1HE2      NIA 101  -8.362   1.025  10.225
  683    H11  7V9 101          3H        NIA 101 -11.276  -0.771   9.578
  684    H12  7V9 101          3HO       NIA 101 -12.047   0.879  11.665
  685    H13  7V9 101          5H        NIA 101  -8.070  -1.443  10.481
  686    H14  7V9 101          1H6       NIA 101  -9.028  -3.710  10.081
  687    H15  7V9 101          2H6       NIA 101 -10.600  -2.931   9.904
  688    H16  7V9 101          1H7       NIA 101  -8.392  -2.061   8.083
  689    H17  7V9 101          2H7       NIA 101 -10.128  -2.148   7.780
  690    H18  7V9 101          9H        NIA 101  -7.206  -4.593   7.382
  691    H19  7V9 101          1H10      NIA 101  -8.940  -3.826   5.077
  692    H20  7V9 101          2H10      NIA 101  -7.351  -3.084   5.266
  693    H21  7V9 101          1H11      NIA 101  -7.991  -5.580   4.030
  694    H22  7V9 101          2H11      NIA 101  -7.035  -5.920   5.470
  695    H25  7V9 101          5H1       NIA 101  -3.254  -5.272   3.235
  696    H26  7V9 101          7H1       NIA 101  -2.065  -4.274  -0.661
  697    H27  7V9 101          8H1       NIA 101  -4.390  -4.530  -1.484
  698    H28  7V9 101          9H1       NIA 101  -6.134  -5.393   0.065
  Start of MODEL   19
    1    H1   MET   1           H1       MET   1  13.876  -5.079   4.622
    2    H2   MET   1           H2       MET   1  13.912  -6.322   3.465
    3    H3   MET   1           H3       MET   1  12.605  -6.200   4.543
    4    HA   MET   1           HA       MET   1  11.546  -4.703   3.307
    5    HB2  MET   1           HB3      MET   1  14.292  -3.489   2.947
    6    HB3  MET   1           HB2      MET   1  12.848  -2.825   2.181
    7    HG2  MET   1           HG3      MET   1  11.779  -2.633   4.412
    8    HG3  MET   1           HG2      MET   1  13.263  -3.226   5.155
    9    HE1  MET   1           HE1      MET   1  15.531  -1.536   3.092
   10    HE2  MET   1           HE2      MET   1  15.440  -2.414   4.617
   11    HE3  MET   1           HE3      MET   1  15.889  -0.710   4.615
   12    H    GLN   2           H        GLN   2  10.856  -6.166   1.778
   13    HA   GLN   2           HA       GLN   2  12.661  -6.777  -0.509
   14    HB2  GLN   2           HB3      GLN   2  11.459  -8.654   0.624
   15    HB3  GLN   2           HB2      GLN   2   9.927  -7.915   0.160
   16    HG2  GLN   2           HG3      GLN   2  10.525  -8.106  -2.208
   17    HG3  GLN   2           HG2      GLN   2  12.090  -8.795  -1.775
   18   HE21  GLN   2          HE21      GLN   2  10.541 -10.403  -3.373
   19   HE22  GLN   2          HE22      GLN   2   9.859 -11.675  -2.480
   20    H    HIS   3           H        HIS   3  12.473  -5.469  -2.268
   21    HA   HIS   3           HA       HIS   3  11.554  -3.893  -3.752
   22    HB2  HIS   3           HB3      HIS   3   9.045  -5.524  -3.243
   23    HB3  HIS   3           HB2      HIS   3   9.343  -4.476  -4.631
   24    HD1  HIS   3           HD1      HIS   3  12.078  -5.217  -5.553
   25    HD2  HIS   3           HD2      HIS   3   9.387  -8.099  -4.190
   26    HE1  HIS   3           HE1      HIS   3  12.832  -7.427  -6.538
   27    HE2  HIS   3           HE2      HIS   3  11.203  -9.188  -5.713
   28    H    ALA   4           H        ALA   4  11.586  -3.166  -0.958
   29    HA   ALA   4           HA       ALA   4   9.123  -2.075  -0.042
   30    HB1  ALA   4           HB1      ALA   4  12.016  -1.510   0.503
   31    HB2  ALA   4           HB2      ALA   4  10.764  -2.085   1.604
   32    HB3  ALA   4           HB3      ALA   4  10.798  -0.391   1.116
   33    H    SER   5           H        SER   5  11.582  -0.775  -2.237
   34    HA   SER   5           HA       SER   5  10.642   1.902  -2.342
   35    HB2  SER   5           HB3      SER   5  12.776   1.054  -3.370
   36    HB3  SER   5           HB2      SER   5  11.810   0.319  -4.647
   37    HG   SER   5           HG       SER   5  11.640   3.061  -3.952
   38    H    VAL   6           H        VAL   6   9.624  -0.976  -4.158
   39    HA   VAL   6           HA       VAL   6   7.789   0.392  -5.886
   40    HB   VAL   6           HB       VAL   6   7.859  -2.456  -4.884
   41   HG11  VAL   6          HG11      VAL   6   6.271  -2.867  -6.821
   42   HG12  VAL   6          HG12      VAL   6   6.042  -1.121  -6.908
   43   HG13  VAL   6          HG13      VAL   6   5.563  -2.004  -5.458
   44   HG21  VAL   6          HG21      VAL   6   9.554  -1.227  -6.594
   45   HG22  VAL   6          HG22      VAL   6   8.287  -1.699  -7.726
   46   HG23  VAL   6          HG23      VAL   6   9.103  -2.924  -6.756
   47    H    ILE   7           H        ILE   7   7.432  -1.065  -2.680
   48    HA   ILE   7           HA       ILE   7   4.617  -0.775  -2.442
   49    HB   ILE   7           HB       ILE   7   6.746  -0.582  -0.293
   50   HG12  ILE   7          HG13      ILE   7   5.087  -2.954  -1.208
   51   HG13  ILE   7          HG12      ILE   7   6.751  -2.662  -1.714
   52   HG21  ILE   7          HG21      ILE   7   4.758  -1.492   1.096
   53   HG22  ILE   7          HG22      ILE   7   3.744  -0.917  -0.228
   54   HG23  ILE   7          HG23      ILE   7   4.738   0.221   0.679
   55   HD11  ILE   7          HD11      ILE   7   5.818  -3.888   0.702
   56   HD12  ILE   7          HD12      ILE   7   6.674  -2.404   1.115
   57   HD13  ILE   7          HD13      ILE   7   7.481  -3.651   0.165
   58    H    ALA   8           H        ALA   8   7.220   1.455  -1.421
   59    HA   ALA   8           HA       ALA   8   5.453   3.542  -0.555
   60    HB1  ALA   8           HB1      ALA   8   8.296   3.170  -0.889
   61    HB2  ALA   8           HB2      ALA   8   7.450   4.332   0.132
   62    HB3  ALA   8           HB3      ALA   8   7.821   4.736  -1.544
   63    H    GLN   9           H        GLN   9   7.107   2.940  -3.634
   64    HA   GLN   9           HA       GLN   9   6.087   5.251  -4.991
   65    HB2  GLN   9           HB3      GLN   9   8.018   3.893  -5.788
   66    HB3  GLN   9           HB2      GLN   9   6.909   2.572  -6.153
   67    HG2  GLN   9           HG3      GLN   9   5.762   4.806  -7.384
   68    HG3  GLN   9           HG2      GLN   9   7.490   4.964  -7.702
   69   HE21  GLN   9          HE21      GLN   9   5.094   2.254  -7.600
   70   HE22  GLN   9          HE22      GLN   9   5.634   1.535  -9.041
   71    H    PHE  10           H        PHE  10   4.897   1.936  -4.662
   72    HA   PHE  10           HA       PHE  10   2.749   2.087  -6.513
   73    HB2  PHE  10           HB3      PHE  10   3.604   0.002  -5.411
   74    HB3  PHE  10           HB2      PHE  10   2.827   0.522  -3.918
   75    HD1  PHE  10           HD1      PHE  10   2.272  -0.606  -7.389
   76    HD2  PHE  10           HD2      PHE  10   0.424   0.425  -3.653
   77    HE1  PHE  10           HE1      PHE  10   0.142  -1.609  -8.168
   78    HE2  PHE  10           HE2      PHE  10  -1.709  -0.574  -4.432
   79    HZ   PHE  10           HZ       PHE  10  -1.846  -1.598  -6.687
   80    H    VAL  11           H        VAL  11   2.712   2.612  -2.979
   81    HA   VAL  11           HA       VAL  11  -0.035   3.556  -3.020
   82    HB   VAL  11           HB       VAL  11   1.266   2.518  -1.035
   83   HG11  VAL  11          HG11      VAL  11   2.532   4.002   0.340
   84   HG12  VAL  11          HG12      VAL  11   2.024   5.412  -0.590
   85   HG13  VAL  11          HG13      VAL  11   3.137   4.242  -1.298
   86   HG21  VAL  11          HG21      VAL  11  -0.774   3.139  -0.249
   87   HG22  VAL  11          HG22      VAL  11  -0.743   4.668  -1.128
   88   HG23  VAL  11          HG23      VAL  11   0.077   4.529   0.427
   89    H    VAL  12           H        VAL  12   3.150   5.122  -2.908
   90    HA   VAL  12           HA       VAL  12   2.160   7.794  -2.601
   91    HB   VAL  12           HB       VAL  12   4.740   6.795  -3.810
   92   HG11  VAL  12          HG11      VAL  12   4.304   9.073  -4.533
   93   HG12  VAL  12          HG12      VAL  12   5.549   9.103  -3.287
   94   HG13  VAL  12          HG13      VAL  12   3.891   9.551  -2.889
   95   HG21  VAL  12          HG21      VAL  12   4.515   8.068  -1.117
   96   HG22  VAL  12          HG22      VAL  12   5.631   6.822  -1.675
   97   HG23  VAL  12          HG23      VAL  12   3.964   6.401  -1.283
   98    H    GLU  13           H        GLU  13   2.925   5.857  -5.479
   99    HA   GLU  13           HA       GLU  13   2.661   7.883  -7.428
  100    HB2  GLU  13           HB3      GLU  13   3.441   5.578  -7.916
  101    HB3  GLU  13           HB2      GLU  13   1.793   5.004  -7.699
  102    HG2  GLU  13           HG3      GLU  13   1.042   6.514  -9.514
  103    HG3  GLU  13           HG2      GLU  13   2.713   7.017  -9.753
  104    H    GLU  14           H        GLU  14   0.232   6.219  -5.560
  105    HA   GLU  14           HA       GLU  14  -2.027   6.849  -7.203
  106    HB2  GLU  14           HB3      GLU  14  -2.063   5.183  -5.357
  107    HB3  GLU  14           HB2      GLU  14  -1.925   6.500  -4.194
  108    HG2  GLU  14           HG3      GLU  14  -4.025   7.480  -5.107
  109    HG3  GLU  14           HG2      GLU  14  -4.179   6.084  -6.175
  110    H    PHE  15           H        PHE  15  -0.258   8.692  -4.770
  111    HA   PHE  15           HA       PHE  15  -1.779  11.093  -5.619
  112    HB2  PHE  15           HB3      PHE  15  -1.867  11.788  -3.144
  113    HB3  PHE  15           HB2      PHE  15  -3.015  10.558  -3.667
  114    HD1  PHE  15           HD1      PHE  15   0.061  11.204  -1.737
  115    HD2  PHE  15           HD2      PHE  15  -2.769   8.232  -3.000
  116    HE1  PHE  15           HE1      PHE  15   0.966   9.627  -0.052
  117    HE2  PHE  15           HE2      PHE  15  -1.862   6.653  -1.318
  118    HZ   PHE  15           HZ       PHE  15   0.006   7.350   0.158
  119    H    LEU  16           H        LEU  16   0.844  10.427  -6.348
  120    HA   LEU  16           HA       LEU  16   2.696  11.742  -4.532
  121    HB2  LEU  16           HB3      LEU  16   4.364  10.909  -5.843
  122    HB3  LEU  16           HB2      LEU  16   3.085   9.831  -6.363
  123    HG   LEU  16           HG       LEU  16   3.942  12.373  -7.793
  124   HD11  LEU  16          HD11      LEU  16   5.598  10.978  -8.472
  125   HD12  LEU  16          HD12      LEU  16   4.343  10.304  -9.511
  126   HD13  LEU  16          HD13      LEU  16   4.720   9.532  -7.971
  127   HD21  LEU  16          HD21      LEU  16   2.314  10.392  -9.226
  128   HD22  LEU  16          HD22      LEU  16   2.130  12.144  -9.151
  129   HD23  LEU  16          HD23      LEU  16   1.457  11.131  -7.878
  130    HA   PRO  17           HA       PRO  17   1.858  15.787  -6.263
  131    HB2  PRO  17           HB3      PRO  17   3.801  17.187  -4.952
  132    HB3  PRO  17           HB2      PRO  17   2.330  16.619  -4.147
  133    HG2  PRO  17           HG3      PRO  17   5.071  15.469  -4.103
  134    HG3  PRO  17           HG2      PRO  17   3.889  15.624  -2.795
  135    HD2  PRO  17           HD3      PRO  17   4.336  13.286  -4.174
  136    HD3  PRO  17           HD2      PRO  17   2.801  13.687  -3.374
  137    H    ASP  18           H        ASP  18   4.197  17.595  -6.594
  138    HA   ASP  18           HA       ASP  18   5.103  16.586  -9.169
  139    HB2  ASP  18           HB3      ASP  18   6.270  18.727  -9.336
  140    HB3  ASP  18           HB2      ASP  18   4.628  18.997  -8.761
  141    H    VAL  19           H        VAL  19   5.934  15.499  -6.314
  142    HA   VAL  19           HA       VAL  19   8.880  15.487  -6.847
  143    HB   VAL  19           HB       VAL  19   7.426  14.916  -4.248
  144   HG11  VAL  19          HG11      VAL  19   9.497  13.798  -4.151
  145   HG12  VAL  19          HG12      VAL  19   9.848  15.361  -3.412
  146   HG13  VAL  19          HG13      VAL  19  10.319  15.050  -5.083
  147   HG21  VAL  19          HG21      VAL  19   8.654  17.158  -3.669
  148   HG22  VAL  19          HG22      VAL  19   7.130  17.224  -4.555
  149   HG23  VAL  19          HG23      VAL  19   8.659  17.403  -5.416
  150    H    ALA  20           H        ALA  20   9.845  13.513  -7.217
  151    HA   ALA  20           HA       ALA  20   8.174  11.223  -7.734
  152    HB1  ALA  20           HB1      ALA  20  10.139  11.396  -9.054
  153    HB2  ALA  20           HB2      ALA  20  10.453  10.053  -7.955
  154    HB3  ALA  20           HB3      ALA  20  11.161  11.636  -7.637
  155    HA   PRO  21           HA       PRO  21   7.840   9.426  -3.650
  156    HB2  PRO  21           HB3      PRO  21   8.579   6.848  -4.946
  157    HB3  PRO  21           HB2      PRO  21   7.177   7.241  -3.936
  158    HG2  PRO  21           HG3      PRO  21   7.029   6.949  -6.611
  159    HG3  PRO  21           HG2      PRO  21   5.965   8.023  -5.690
  160    HD2  PRO  21           HD3      PRO  21   8.158   8.721  -7.541
  161    HD3  PRO  21           HD2      PRO  21   6.780   9.697  -6.986
  162    H    ALA  22           H        ALA  22  10.593   8.618  -5.708
  163    HA   ALA  22           HA       ALA  22  12.270   7.518  -3.653
  164    HB1  ALA  22           HB1      ALA  22  14.061   8.560  -5.406
  165    HB2  ALA  22           HB2      ALA  22  12.619   8.527  -6.422
  166    HB3  ALA  22           HB3      ALA  22  13.212   7.039  -5.684
  167    H    ASP  23           H        ASP  23  11.442  10.775  -4.568
  168    HA   ASP  23           HA       ASP  23  13.597  11.884  -2.853
  169    HB2  ASP  23           HB3      ASP  23  11.617  13.199  -4.736
  170    HB3  ASP  23           HB2      ASP  23  12.775  14.090  -3.749
  171    H    VAL  24           H        VAL  24  10.651  10.637  -2.346
  172    HA   VAL  24           HA       VAL  24   9.794  12.746  -0.419
  173    HB   VAL  24           HB       VAL  24   8.308  10.290  -1.412
  174   HG11  VAL  24          HG11      VAL  24   7.526  10.877   0.786
  175   HG12  VAL  24          HG12      VAL  24   6.354  11.525  -0.361
  176   HG13  VAL  24          HG13      VAL  24   7.533  12.596   0.394
  177   HG21  VAL  24          HG21      VAL  24   8.384  13.173  -2.256
  178   HG22  VAL  24          HG22      VAL  24   6.873  12.276  -2.394
  179   HG23  VAL  24          HG23      VAL  24   8.307  11.722  -3.256
  180    H    ASP  25           H        ASP  25   9.853  12.314   1.775
  181    HA   ASP  25           HA       ASP  25  11.526  10.195   2.715
  182    HB2  ASP  25           HB3      ASP  25   9.523  11.935   4.181
  183    HB3  ASP  25           HB2      ASP  25  10.665  10.854   4.980
  184    H    VAL  26           H        VAL  26  10.759   8.169   2.051
  185    HA   VAL  26           HA       VAL  26   8.051   7.296   2.186
  186    HB   VAL  26           HB       VAL  26   8.942   5.038   2.010
  187   HG11  VAL  26          HG11      VAL  26   9.619   7.176   0.301
  188   HG12  VAL  26          HG12      VAL  26   9.585   5.460  -0.107
  189   HG13  VAL  26          HG13      VAL  26  11.084   6.204   0.447
  190   HG21  VAL  26          HG21      VAL  26  10.654   4.756   3.535
  191   HG22  VAL  26          HG22      VAL  26  11.332   6.354   3.228
  192   HG23  VAL  26          HG23      VAL  26  11.622   5.040   2.089
  193    H    ASP  27           H        ASP  27   9.918   8.326   4.685
  194    HA   ASP  27           HA       ASP  27   9.041   6.324   6.666
  195    HB2  ASP  27           HB3      ASP  27  10.589   8.920   6.936
  196    HB3  ASP  27           HB2      ASP  27  10.218   7.842   8.283
  197    H    LEU  28           H        LEU  28   7.377   8.493   5.050
  198    HA   LEU  28           HA       LEU  28   6.118   9.990   7.234
  199    HB2  LEU  28           HB3      LEU  28   6.347  10.910   4.915
  200    HB3  LEU  28           HB2      LEU  28   5.219   9.678   4.359
  201    HG   LEU  28           HG       LEU  28   3.558  10.548   6.048
  202   HD11  LEU  28          HD11      LEU  28   4.394  11.925   7.632
  203   HD12  LEU  28          HD12      LEU  28   4.441  13.173   6.387
  204   HD13  LEU  28          HD13      LEU  28   5.874  12.201   6.714
  205   HD21  LEU  28          HD21      LEU  28   2.750  11.637   4.251
  206   HD22  LEU  28          HD22      LEU  28   4.357  11.626   3.525
  207   HD23  LEU  28          HD23      LEU  28   3.862  12.971   4.555
  208    H    ASP  29           H        ASP  29   4.290   9.393   8.315
  209    HA   ASP  29           HA       ASP  29   3.343   6.692   8.091
  210    HB2  ASP  29           HB3      ASP  29   2.157   9.110   9.485
  211    HB3  ASP  29           HB2      ASP  29   1.547   7.465   9.665
  212    H    LEU  30           H        LEU  30   1.975   5.921   6.570
  213    HA   LEU  30           HA       LEU  30   0.785   7.553   4.580
  214    HB2  LEU  30           HB3      LEU  30  -0.070   4.784   5.490
  215    HB3  LEU  30           HB2      LEU  30  -0.528   5.548   3.968
  216    HG   LEU  30           HG       LEU  30   2.303   4.885   4.834
  217   HD11  LEU  30          HD11      LEU  30   0.242   3.355   3.524
  218   HD12  LEU  30          HD12      LEU  30   1.885   2.863   3.935
  219   HD13  LEU  30          HD13      LEU  30   1.561   3.651   2.390
  220   HD21  LEU  30          HD21      LEU  30   1.124   6.474   2.595
  221   HD22  LEU  30          HD22      LEU  30   2.498   5.437   2.215
  222   HD23  LEU  30          HD23      LEU  30   2.657   6.694   3.441
  223    H    VAL  31           H        VAL  31  -0.129   7.040   7.828
  224    HA   VAL  31           HA       VAL  31  -2.925   7.128   7.771
  225    HB   VAL  31           HB       VAL  31  -0.970   8.473   9.648
  226   HG11  VAL  31          HG11      VAL  31  -2.875   9.795   9.980
  227   HG12  VAL  31          HG12      VAL  31  -3.121   8.495  11.147
  228   HG13  VAL  31          HG13      VAL  31  -3.978   8.471   9.606
  229   HG21  VAL  31          HG21      VAL  31  -1.242   6.590  10.987
  230   HG22  VAL  31          HG22      VAL  31  -1.397   5.870   9.384
  231   HG23  VAL  31          HG23      VAL  31  -2.839   6.229  10.333
  232    H    ASP  32           H        ASP  32  -0.626   9.810   7.412
  233    HA   ASP  32           HA       ASP  32  -2.508  11.931   7.272
  234    HB2  ASP  32           HB3      ASP  32   0.027  12.157   7.260
  235    HB3  ASP  32           HB2      ASP  32  -0.015  11.691   5.559
  236    H    ASN  33           H        ASN  33  -1.460   9.531   4.940
  237    HA   ASN  33           HA       ASN  33  -3.133  10.646   2.795
  238    HB2  ASN  33           HB3      ASN  33  -1.669   8.002   2.868
  239    HB3  ASN  33           HB2      ASN  33  -2.259   8.848   1.440
  240   HD21  ASN  33          HD21      ASN  33  -1.387  11.522   2.454
  241   HD22  ASN  33          HD22      ASN  33   0.304  11.542   2.312
  242    H    GLY  34           H        GLY  34  -4.145   9.554   5.462
  243    HA2  GLY  34           HA3      GLY  34  -5.413   7.122   5.393
  244    HA3  GLY  34           HA2      GLY  34  -6.191   8.551   6.074
  245    H    VAL  35           H        VAL  35  -5.926   9.673   3.150
  246    HA   VAL  35           HA       VAL  35  -8.608   9.268   2.367
  247    HB   VAL  35           HB       VAL  35  -6.149   9.871   0.695
  248   HG11  VAL  35          HG11      VAL  35  -7.744   8.945  -0.831
  249   HG12  VAL  35          HG12      VAL  35  -7.891  10.696  -0.978
  250   HG13  VAL  35          HG13      VAL  35  -9.081   9.786  -0.048
  251   HG21  VAL  35          HG21      VAL  35  -6.470  12.011   1.341
  252   HG22  VAL  35          HG22      VAL  35  -7.613  11.398   2.537
  253   HG23  VAL  35          HG23      VAL  35  -8.189  11.928   0.956
  254    H    ILE  36           H        ILE  36  -5.682   7.445   1.569
  255    HA   ILE  36           HA       ILE  36  -6.973   5.589  -0.237
  256    HB   ILE  36           HB       ILE  36  -4.442   6.125   0.071
  257   HG12  ILE  36          HG13      ILE  36  -5.602   3.357  -0.300
  258   HG13  ILE  36          HG12      ILE  36  -5.075   4.493  -1.545
  259   HG21  ILE  36          HG21      ILE  36  -4.667   5.470   2.567
  260   HG22  ILE  36          HG22      ILE  36  -3.258   4.872   1.691
  261   HG23  ILE  36          HG23      ILE  36  -4.631   3.804   1.989
  262   HD11  ILE  36          HD11      ILE  36  -3.187   3.199  -1.508
  263   HD12  ILE  36          HD12      ILE  36  -3.464   2.661   0.149
  264   HD13  ILE  36          HD13      ILE  36  -2.771   4.254  -0.158
  265    H    ASP  37           H        ASP  37  -6.671   5.799   3.235
  266    HA   ASP  37           HA       ASP  37  -7.018   3.051   3.879
  267    HB2  ASP  37           HB3      ASP  37  -7.850   5.525   5.414
  268    HB3  ASP  37           HB2      ASP  37  -7.878   3.893   6.073
  269    H    SER  38           H        SER  38  -9.381   5.446   2.832
  270    HA   SER  38           HA       SER  38 -11.548   3.496   3.462
  271    HB2  SER  38          2HB       SER  38 -11.362   6.352   3.611
  272    HB3  SER  38          1HB       SER  38 -12.628   5.919   2.466
  273    H    LEU  39           H        LEU  39 -10.996   5.878   0.843
  274    HA   LEU  39           HA       LEU  39 -12.549   4.296  -1.002
  275    HB2  LEU  39           HB3      LEU  39 -12.302   6.792  -1.116
  276    HB3  LEU  39           HB2      LEU  39 -10.644   6.542  -1.651
  277    HG   LEU  39           HG       LEU  39 -12.679   5.005  -3.145
  278   HD11  LEU  39          HD11      LEU  39 -13.971   7.011  -2.964
  279   HD12  LEU  39          HD12      LEU  39 -13.178   7.088  -4.537
  280   HD13  LEU  39          HD13      LEU  39 -12.548   8.028  -3.184
  281   HD21  LEU  39          HD21      LEU  39 -11.269   5.813  -5.042
  282   HD22  LEU  39          HD22      LEU  39 -10.318   5.007  -3.796
  283   HD23  LEU  39          HD23      LEU  39 -10.325   6.768  -3.900
  284    H    GLY  40           H        GLY  40  -9.070   5.036  -0.826
  285    HA2  GLY  40           HA3      GLY  40  -8.347   3.313  -2.997
  286    HA3  GLY  40           HA2      GLY  40  -7.242   3.913  -1.768
  287    H    LEU  41           H        LEU  41  -8.648   2.761   0.485
  288    HA   LEU  41           HA       LEU  41  -7.395   0.229   0.619
  289    HB2  LEU  41           HB3      LEU  41  -8.162   1.541   2.593
  290    HB3  LEU  41           HB2      LEU  41  -9.830   1.151   2.176
  291    HG   LEU  41           HG       LEU  41  -7.980  -1.161   2.342
  292   HD11  LEU  41          HD11      LEU  41  -8.579   0.654   4.656
  293   HD12  LEU  41          HD12      LEU  41  -7.096  -0.219   4.281
  294   HD13  LEU  41          HD13      LEU  41  -8.491  -1.084   4.927
  295   HD21  LEU  41          HD21      LEU  41  -9.909  -2.282   3.001
  296   HD22  LEU  41          HD22      LEU  41 -10.620  -0.977   2.054
  297   HD23  LEU  41          HD23      LEU  41 -10.578  -0.868   3.812
  298    H    LEU  42           H        LEU  42 -10.756   1.081  -0.177
  299    HA   LEU  42           HA       LEU  42 -11.691  -1.606  -0.444
  300    HB2  LEU  42           HB3      LEU  42 -12.560   0.928  -1.857
  301    HB3  LEU  42           HB2      LEU  42 -13.436  -0.592  -1.940
  302    HG   LEU  42           HG       LEU  42 -12.806   0.911   0.612
  303   HD11  LEU  42          HD11      LEU  42 -15.592   0.677   0.136
  304   HD12  LEU  42          HD12      LEU  42 -14.873   1.267  -1.363
  305   HD13  LEU  42          HD13      LEU  42 -14.626   2.153   0.142
  306   HD21  LEU  42          HD21      LEU  42 -13.938  -1.741  -0.048
  307   HD22  LEU  42          HD22      LEU  42 -14.821  -0.823   1.171
  308   HD23  LEU  42          HD23      LEU  42 -13.116  -1.203   1.414
  309    H    LYS  43           H        LYS  43 -10.227   0.638  -2.783
  310    HA   LYS  43           HA       LYS  43 -10.338  -1.219  -4.985
  311    HB2  LYS  43           HB3      LYS  43  -8.602   1.205  -4.497
  312    HB3  LYS  43           HB2      LYS  43  -8.693   0.341  -6.027
  313    HG2  LYS  43           HG3      LYS  43 -11.154   0.766  -6.075
  314    HG3  LYS  43           HG2      LYS  43 -10.980   1.737  -4.611
  315    HD2  LYS  43           HD3      LYS  43  -9.354   3.196  -5.823
  316    HD3  LYS  43           HD2      LYS  43  -9.667   2.272  -7.292
  317    HE2  LYS  43           HE3      LYS  43 -11.954   3.483  -5.758
  318    HE3  LYS  43           HE2      LYS  43 -11.016   4.472  -6.878
  319    HZ1  LYS  43           HZ1      LYS  43 -11.540   2.099  -8.191
  320    HZ2  LYS  43           HZ2      LYS  43 -12.231   3.619  -8.502
  321    HZ3  LYS  43           HZ3      LYS  43 -13.000   2.534  -7.445
  322    H    VAL  44           H        VAL  44  -7.946  -0.509  -2.482
  323    HA   VAL  44           HA       VAL  44  -5.780  -1.984  -3.624
  324    HB   VAL  44           HB       VAL  44  -6.431  -1.338  -0.738
  325   HG11  VAL  44          HG11      VAL  44  -4.762  -2.768  -0.232
  326   HG12  VAL  44          HG12      VAL  44  -3.672  -1.634  -1.029
  327   HG13  VAL  44          HG13      VAL  44  -4.345  -2.993  -1.931
  328   HG21  VAL  44          HG21      VAL  44  -5.819   0.376  -2.768
  329   HG22  VAL  44          HG22      VAL  44  -4.203  -0.035  -2.192
  330   HG23  VAL  44          HG23      VAL  44  -5.384   0.662  -1.083
  331    H    ILE  45           H        ILE  45  -8.185  -2.997  -1.156
  332    HA   ILE  45           HA       ILE  45  -7.199  -5.648  -0.889
  333    HB   ILE  45           HB       ILE  45 -10.055  -4.662  -0.614
  334   HG12  ILE  45          HG13      ILE  45  -8.590  -3.379   0.840
  335   HG13  ILE  45          HG12      ILE  45  -9.457  -4.551   1.827
  336   HG21  ILE  45          HG21      ILE  45  -8.858  -7.260  -0.406
  337   HG22  ILE  45          HG22      ILE  45 -10.543  -6.801  -0.166
  338   HG23  ILE  45          HG23      ILE  45  -9.414  -6.751   1.187
  339   HD11  ILE  45          HD11      ILE  45  -7.361  -6.070   1.351
  340   HD12  ILE  45          HD12      ILE  45  -7.272  -4.823   2.594
  341   HD13  ILE  45          HD13      ILE  45  -6.570  -4.533   1.003
  342    H    ALA  46           H        ALA  46  -9.767  -4.355  -3.009
  343    HA   ALA  46           HA       ALA  46 -10.299  -6.873  -4.291
  344    HB1  ALA  46           HB1      ALA  46 -11.394  -5.480  -6.040
  345    HB2  ALA  46           HB2      ALA  46 -10.718  -4.036  -5.285
  346    HB3  ALA  46           HB3      ALA  46 -11.896  -5.016  -4.414
  347    H    TRP  47           H        TRP  47  -7.979  -4.288  -4.871
  348    HA   TRP  47           HA       TRP  47  -7.127  -5.239  -7.468
  349    HB2  TRP  47           HB3      TRP  47  -6.641  -2.962  -6.947
  350    HB3  TRP  47           HB2      TRP  47  -5.886  -3.399  -5.415
  351    HD1  TRP  47           HD1      TRP  47  -5.335  -4.007  -9.194
  352    HE1  TRP  47           HE1      TRP  47  -2.797  -4.178  -9.611
  353    HE3  TRP  47           HE3      TRP  47  -3.620  -3.612  -4.400
  354    HZ2  TRP  47           HZ2      TRP  47  -0.361  -4.146  -8.114
  355    HZ3  TRP  47           HZ3      TRP  47  -1.189  -3.686  -3.924
  356    HH2  TRP  47           HH2      TRP  47   0.441  -3.952  -5.773
  357    H    LEU  48           H        LEU  48  -5.787  -5.572  -4.179
  358    HA   LEU  48           HA       LEU  48  -3.521  -7.119  -4.888
  359    HB2  LEU  48           HB3      LEU  48  -3.989  -6.078  -2.637
  360    HB3  LEU  48           HB2      LEU  48  -5.142  -7.366  -2.348
  361    HG   LEU  48           HG       LEU  48  -3.288  -9.010  -2.800
  362   HD11  LEU  48          HD11      LEU  48  -1.408  -8.166  -3.702
  363   HD12  LEU  48          HD12      LEU  48  -1.075  -7.424  -2.139
  364   HD13  LEU  48          HD13      LEU  48  -1.932  -6.516  -3.381
  365   HD21  LEU  48          HD21      LEU  48  -3.275  -9.065  -0.548
  366   HD22  LEU  48          HD22      LEU  48  -3.821  -7.388  -0.491
  367   HD23  LEU  48          HD23      LEU  48  -2.096  -7.753  -0.545
  368    H    GLU  49           H        GLU  49  -6.814  -8.149  -3.970
  369    HA   GLU  49           HA       GLU  49  -6.233 -10.955  -4.215
  370    HB2  GLU  49           HB3      GLU  49  -8.135 -10.297  -2.899
  371    HB3  GLU  49           HB2      GLU  49  -8.850  -9.435  -4.254
  372    HG2  GLU  49           HG3      GLU  49  -9.124 -11.547  -5.469
  373    HG3  GLU  49           HG2      GLU  49  -8.366 -12.419  -4.147
  374    H    ASP  50           H        ASP  50  -7.378  -8.514  -6.492
  375    HA   ASP  50           HA       ASP  50  -8.199 -10.260  -8.566
  376    HB2  ASP  50           HB3      ASP  50  -8.513  -7.758  -8.499
  377    HB3  ASP  50           HB2      ASP  50  -6.818  -7.605  -8.953
  378    H    ARG  51           H        ARG  51  -4.968  -9.044  -7.734
  379    HA   ARG  51           HA       ARG  51  -3.785 -10.405 -10.049
  380    HB2  ARG  51           HB3      ARG  51  -2.570  -8.867  -7.744
  381    HB3  ARG  51           HB2      ARG  51  -1.642  -9.549  -9.075
  382    HG2  ARG  51           HG3      ARG  51  -3.060  -8.229 -10.666
  383    HG3  ARG  51           HG2      ARG  51  -3.824  -7.460  -9.273
  384    HD2  ARG  51           HD3      ARG  51  -0.892  -7.342 -10.031
  385    HD3  ARG  51           HD2      ARG  51  -2.046  -6.011 -10.048
  386    HE   ARG  51           HE       ARG  51  -1.946  -5.929  -7.652
  387   HH11  ARG  51          HH11      ARG  51  -0.776  -6.326  -5.768
  388   HH12  ARG  51          HH12      ARG  51   0.411  -7.586  -5.748
  389   HH21  ARG  51          HH21      ARG  51  -0.119  -8.513  -9.043
  390   HH22  ARG  51          HH22      ARG  51   0.783  -8.819  -7.597
  391    H    PHE  52           H        PHE  52  -3.553 -10.774  -6.477
  392    HA   PHE  52           HA       PHE  52  -2.071 -13.294  -6.883
  393    HB2  PHE  52           HB3      PHE  52  -1.669 -11.459  -5.048
  394    HB3  PHE  52           HB2      PHE  52  -2.948 -12.314  -4.191
  395    HD1  PHE  52           HD1      PHE  52  -2.692 -14.869  -3.885
  396    HD2  PHE  52           HD2      PHE  52   0.533 -12.296  -5.074
  397    HE1  PHE  52           HE1      PHE  52  -1.059 -16.601  -3.200
  398    HE2  PHE  52           HE2      PHE  52   2.167 -14.029  -4.391
  399    HZ   PHE  52           HZ       PHE  52   1.371 -16.183  -3.453
  400    H    GLY  53           H        GLY  53  -5.338 -12.302  -6.103
  401    HA2  GLY  53           HA3      GLY  53  -7.262 -13.697  -6.078
  402    HA3  GLY  53           HA2      GLY  53  -6.209 -15.087  -6.312
  403    H    ILE  54           H        ILE  54  -6.361 -12.617  -3.728
  404    HA   ILE  54           HA       ILE  54  -6.462 -14.850  -1.746
  405    HB   ILE  54           HB       ILE  54  -5.620 -11.956  -1.381
  406   HG12  ILE  54          HG13      ILE  54  -3.882 -14.420  -1.232
  407   HG13  ILE  54          HG12      ILE  54  -4.141 -13.561  -2.748
  408   HG21  ILE  54          HG21      ILE  54  -6.376 -12.629   0.728
  409   HG22  ILE  54          HG22      ILE  54  -4.673 -13.081   0.787
  410   HG23  ILE  54          HG23      ILE  54  -5.900 -14.308   0.473
  411   HD11  ILE  54          HD11      ILE  54  -3.285 -11.493  -1.761
  412   HD12  ILE  54          HD12      ILE  54  -2.094 -12.778  -1.563
  413   HD13  ILE  54          HD13      ILE  54  -3.100 -12.293  -0.198
  414    H    ALA  55           H        ALA  55  -8.152 -14.881  -0.249
  415    HA   ALA  55           HA       ALA  55 -10.597 -13.586  -0.931
  416    HB1  ALA  55           HB1      ALA  55 -11.187 -14.252   1.531
  417    HB2  ALA  55           HB2      ALA  55  -9.618 -15.058   1.506
  418    HB3  ALA  55           HB3      ALA  55 -10.871 -15.529   0.355
  419    H    ALA  56           H        ALA  56 -11.546 -11.702  -0.163
  420    HA   ALA  56           HA       ALA  56  -9.850  -9.594   0.740
  421    HB1  ALA  56           HB1      ALA  56 -11.818  -8.922  -0.385
  422    HB2  ALA  56           HB2      ALA  56 -12.121  -8.478   1.295
  423    HB3  ALA  56           HB3      ALA  56 -12.846  -9.939   0.623
  424    H    ASP  57           H        ASP  57 -11.781 -11.967   2.462
  425    HA   ASP  57           HA       ASP  57 -11.532 -10.580   5.032
  426    HB2  ASP  57           HB3      ASP  57 -12.522 -13.340   4.300
  427    HB3  ASP  57           HB2      ASP  57 -12.558 -12.682   5.934
  428    H    ASP  58           H        ASP  58  -9.351 -12.192   3.178
  429    HA   ASP  58           HA       ASP  58  -8.096 -14.056   4.883
  430    HB2  ASP  58           HB3      ASP  58  -7.494 -13.580   2.479
  431    HB3  ASP  58           HB2      ASP  58  -6.647 -12.144   3.052
  432    H    VAL  59           H        VAL  59  -8.012 -10.545   4.912
  433    HA   VAL  59           HA       VAL  59  -6.295 -10.682   7.365
  434    HB   VAL  59           HB       VAL  59  -5.397  -8.488   6.756
  435   HG11  VAL  59          HG11      VAL  59  -4.049 -10.187   5.858
  436   HG12  VAL  59          HG12      VAL  59  -4.404  -9.193   4.444
  437   HG13  VAL  59          HG13      VAL  59  -5.289 -10.696   4.712
  438   HG21  VAL  59          HG21      VAL  59  -5.990  -7.666   4.385
  439   HG22  VAL  59          HG22      VAL  59  -7.208  -7.430   5.638
  440   HG23  VAL  59          HG23      VAL  59  -7.374  -8.753   4.486
  441    H    GLU  60           H        GLU  60  -6.760  -8.959   8.951
  442    HA   GLU  60           HA       GLU  60  -9.662  -8.330   8.973
  443    HB2  GLU  60           HB3      GLU  60  -7.584  -8.266  11.174
  444    HB3  GLU  60           HB2      GLU  60  -9.282  -7.845  11.386
  445    HG2  GLU  60           HG3      GLU  60  -8.274 -10.515  10.394
  446    HG3  GLU  60           HG2      GLU  60  -8.831 -10.188  12.027
  447    H    LEU  61           H        LEU  61 -10.205  -6.156  10.027
  448    HA   LEU  61           HA       LEU  61  -8.878  -4.062   8.503
  449    HB2  LEU  61           HB3      LEU  61 -10.633  -3.082  10.608
  450    HB3  LEU  61           HB2      LEU  61 -10.812  -2.946   8.864
  451    HG   LEU  61           HG       LEU  61 -11.628  -5.301  10.573
  452   HD11  LEU  61          HD11      LEU  61 -13.514  -3.902   8.767
  453   HD12  LEU  61          HD12      LEU  61 -12.975  -2.984  10.173
  454   HD13  LEU  61          HD13      LEU  61 -13.773  -4.542  10.389
  455   HD21  LEU  61          HD21      LEU  61 -12.645  -5.530   7.947
  456   HD22  LEU  61          HD22      LEU  61 -11.422  -6.553   8.702
  457   HD23  LEU  61          HD23      LEU  61 -10.935  -5.140   7.766
  458    H    SER  62           H        SER  62  -7.142  -2.892   9.198
  459    HA   SER  62           HA       SER  62  -6.755  -2.505  12.115
  460    HB2  SER  62           HB3      SER  62  -4.247  -2.982  11.655
  461    HB3  SER  62           HB2      SER  62  -5.336  -4.357  11.815
  462    HG   SER  62           HG       SER  62  -5.508  -4.321   9.502
  463    HA   PRO  63           HA       PRO  63  -6.306   1.462   9.732
  464    HB2  PRO  63           HB3      PRO  63  -6.649   2.475  12.500
  465    HB3  PRO  63           HB2      PRO  63  -7.472   2.968  11.011
  466    HG2  PRO  63           HG3      PRO  63  -8.673   1.492  12.904
  467    HG3  PRO  63           HG2      PRO  63  -9.052   1.340  11.183
  468    HD2  PRO  63           HD3      PRO  63  -7.527  -0.512  12.939
  469    HD3  PRO  63           HD2      PRO  63  -8.464  -0.862  11.471
  470    H    GLU  64           H        GLU  64  -4.843   0.418  12.766
  471    HA   GLU  64           HA       GLU  64  -2.677   2.315  12.769
  472    HB2  GLU  64           HB3      GLU  64  -2.905  -0.417  14.042
  473    HB3  GLU  64           HB2      GLU  64  -1.635   0.745  14.393
  474    HG2  GLU  64           HG3      GLU  64  -3.361   2.371  15.107
  475    HG3  GLU  64           HG2      GLU  64  -4.597   1.150  14.829
  476    H    HIS  65           H        HIS  65  -3.363  -0.425  10.873
  477    HA   HIS  65           HA       HIS  65  -0.711  -1.400  10.381
  478    HB2  HIS  65           HB3      HIS  65  -2.852  -2.590   9.810
  479    HB3  HIS  65           HB2      HIS  65  -3.072  -1.449   8.484
  480    HD1  HIS  65           HD1      HIS  65  -2.265  -2.381   6.329
  481    HD2  HIS  65           HD2      HIS  65   0.022  -3.758   9.534
  482    HE1  HIS  65           HE1      HIS  65  -0.502  -3.914   5.348
  483    HE2  HIS  65           HE2      HIS  65   0.897  -4.751   7.290
  484    H    PHE  66           H        PHE  66  -2.482   1.351   9.132
  485    HA   PHE  66           HA       PHE  66  -0.495   1.752   6.974
  486    HB2  PHE  66           HB3      PHE  66  -2.966   3.323   7.764
  487    HB3  PHE  66           HB2      PHE  66  -1.927   3.716   6.392
  488    HD1  PHE  66           HD1      PHE  66  -1.805   2.244   4.432
  489    HD2  PHE  66           HD2      PHE  66  -4.394   1.352   7.740
  490    HE1  PHE  66           HE1      PHE  66  -2.996   0.564   3.048
  491    HE2  PHE  66           HE2      PHE  66  -5.583  -0.325   6.356
  492    HZ   PHE  66           HZ       PHE  66  -4.885  -0.721   4.013
  493    H    ARG  67           H        ARG  67  -0.331   2.190  10.140
  494    HA   ARG  67           HA       ARG  67   0.245   4.903  10.630
  495    HB2  ARG  67           HB3      ARG  67   0.151   3.121  12.377
  496    HB3  ARG  67           HB2      ARG  67   1.692   2.503  11.795
  497    HG2  ARG  67           HG3      ARG  67   2.329   3.878  13.585
  498    HG3  ARG  67           HG2      ARG  67   2.540   4.936  12.196
  499    HD2  ARG  67           HD3      ARG  67   0.322   5.937  12.607
  500    HD3  ARG  67           HD2      ARG  67   0.094   4.864  13.986
  501    HE   ARG  67           HE       ARG  67   2.512   6.236  14.435
  502   HH11  ARG  67          HH11      ARG  67   2.544   8.091  15.727
  503   HH12  ARG  67          HH12      ARG  67   1.084   8.995  15.957
  504   HH21  ARG  67          HH21      ARG  67  -0.841   6.893  13.981
  505   HH22  ARG  67          HH22      ARG  67  -0.832   8.316  14.968
  506    H    SER  68           H        SER  68   2.251   2.397   9.149
  507    HA   SER  68           HA       SER  68   4.014   4.515   8.089
  508    HB2  SER  68           HB3      SER  68   6.056   3.538   8.931
  509    HB3  SER  68           HB2      SER  68   4.984   3.800  10.304
  510    HG   SER  68           HG       SER  68   5.924   1.468   9.195
  511    H    ILE  69           H        ILE  69   5.156   3.844   6.208
  512    HA   ILE  69           HA       ILE  69   3.908   1.777   4.667
  513    HB   ILE  69           HB       ILE  69   6.552   3.192   4.230
  514   HG12  ILE  69          HG13      ILE  69   3.808   3.810   3.129
  515   HG13  ILE  69          HG12      ILE  69   4.550   4.675   4.466
  516   HG21  ILE  69          HG21      ILE  69   6.739   1.909   2.406
  517   HG22  ILE  69          HG22      ILE  69   5.179   2.509   1.844
  518   HG23  ILE  69          HG23      ILE  69   5.257   1.062   2.847
  519   HD11  ILE  69          HD11      ILE  69   6.545   5.049   2.864
  520   HD12  ILE  69          HD12      ILE  69   5.084   5.997   2.582
  521   HD13  ILE  69          HD13      ILE  69   5.424   4.582   1.584
  522    H    ARG  70           H        ARG  70   6.966   1.919   6.478
  523    HA   ARG  70           HA       ARG  70   8.043  -0.551   5.567
  524    HB2  ARG  70           HB3      ARG  70   8.375   0.846   8.236
  525    HB3  ARG  70           HB2      ARG  70   9.371  -0.499   7.679
  526    HG2  ARG  70           HG3      ARG  70   9.991   0.856   5.668
  527    HG3  ARG  70           HG2      ARG  70   9.102   2.215   6.357
  528    HD2  ARG  70           HD3      ARG  70  11.483   0.814   7.607
  529    HD3  ARG  70           HD2      ARG  70  11.472   2.434   6.911
  530    HE   ARG  70           HE       ARG  70  10.414   1.684   9.534
  531   HH11  ARG  70          HH11      ARG  70   9.642   3.410  10.774
  532   HH12  ARG  70          HH12      ARG  70   9.374   4.947  10.023
  533   HH21  ARG  70          HH21      ARG  70  10.385   3.884   6.881
  534   HH22  ARG  70          HH22      ARG  70   9.794   5.216   7.819
  535    H    SER  71           H        SER  71   5.825   0.145   8.267
  536    HA   SER  71           HA       SER  71   5.820  -2.475   9.384
  537    HB2  SER  71           HB3      SER  71   4.781  -0.424  10.421
  538    HB3  SER  71           HB2      SER  71   3.464  -0.572   9.260
  539    HG   SER  71           HG       SER  71   3.772  -2.949  10.288
  540    H    ILE  72           H        ILE  72   3.745  -1.026   6.873
  541    HA   ILE  72           HA       ILE  72   2.129  -3.332   6.428
  542    HB   ILE  72           HB       ILE  72   2.911  -1.119   4.508
  543   HG12  ILE  72          HG13      ILE  72   0.488  -1.383   6.316
  544   HG13  ILE  72          HG12      ILE  72   1.877  -0.352   6.656
  545   HG21  ILE  72          HG21      ILE  72   0.278  -2.149   4.120
  546   HG22  ILE  72          HG22      ILE  72   1.400  -3.509   4.151
  547   HG23  ILE  72          HG23      ILE  72   1.642  -2.192   3.004
  548   HD11  ILE  72          HD11      ILE  72   1.033   1.262   5.340
  549   HD12  ILE  72          HD12      ILE  72  -0.391   0.261   5.054
  550   HD13  ILE  72          HD13      ILE  72   0.997   0.149   3.972
  551    H    ASP  73           H        ASP  73   5.201  -2.261   5.019
  552    HA   ASP  73           HA       ASP  73   5.397  -4.153   2.929
  553    HB2  ASP  73           HB3      ASP  73   6.953  -2.207   3.366
  554    HB3  ASP  73           HB2      ASP  73   7.702  -3.178   4.631
  555    H    ALA  74           H        ALA  74   6.349  -4.462   6.354
  556    HA   ALA  74           HA       ALA  74   7.490  -7.076   6.052
  557    HB1  ALA  74           HB1      ALA  74   6.680  -5.330   8.302
  558    HB2  ALA  74           HB2      ALA  74   8.160  -6.262   8.077
  559    HB3  ALA  74           HB3      ALA  74   6.696  -7.059   8.652
  560    H    PHE  75           H        PHE  75   4.231  -6.038   7.085
  561    HA   PHE  75           HA       PHE  75   3.248  -8.683   7.533
  562    HB2  PHE  75           HB3      PHE  75   1.833  -6.120   6.768
  563    HB3  PHE  75           HB2      PHE  75   0.988  -7.610   7.175
  564    HD1  PHE  75           HD1      PHE  75   2.192  -4.596   8.492
  565    HD2  PHE  75           HD2      PHE  75   1.895  -8.778   9.424
  566    HE1  PHE  75           HE1      PHE  75   2.433  -4.075  10.905
  567    HE2  PHE  75           HE2      PHE  75   2.133  -8.258  11.836
  568    HZ   PHE  75           HZ       PHE  75   2.401  -5.906  12.577
  569    H    VAL  76           H        VAL  76   3.143  -6.587   4.644
  570    HA   VAL  76           HA       VAL  76   1.724  -8.484   3.024
  571    HB   VAL  76           HB       VAL  76   3.505  -6.131   2.349
  572   HG11  VAL  76          HG11      VAL  76   3.644  -7.233   0.343
  573   HG12  VAL  76          HG12      VAL  76   2.055  -6.501   0.120
  574   HG13  VAL  76          HG13      VAL  76   2.188  -8.179   0.643
  575   HG21  VAL  76          HG21      VAL  76   0.503  -6.490   2.115
  576   HG22  VAL  76          HG22      VAL  76   1.416  -4.993   1.929
  577   HG23  VAL  76          HG23      VAL  76   1.289  -5.755   3.514
  578    H    VAL  77           H        VAL  77   5.225  -7.700   3.286
  579    HA   VAL  77           HA       VAL  77   6.017  -9.685   1.363
  580    HB   VAL  77           HB       VAL  77   7.493  -8.238   3.571
  581   HG11  VAL  77          HG11      VAL  77   8.444 -10.302   1.586
  582   HG12  VAL  77          HG12      VAL  77   8.698 -10.265   3.330
  583   HG13  VAL  77          HG13      VAL  77   9.539  -9.115   2.292
  584   HG21  VAL  77          HG21      VAL  77   7.678  -8.046   0.548
  585   HG22  VAL  77          HG22      VAL  77   8.452  -6.985   1.725
  586   HG23  VAL  77          HG23      VAL  77   6.698  -6.971   1.545
  587    H    GLY  78           H        GLY  78   5.865  -9.693   4.917
  588    HA2  GLY  78           HA3      GLY  78   6.946 -12.301   5.290
  589    HA3  GLY  78           HA2      GLY  78   5.889 -11.477   6.433
  590    H    ALA  79           H        ALA  79   3.740 -11.249   4.319
  591    HA   ALA  79           HA       ALA  79   2.736 -14.025   4.656
  592    HB1  ALA  79           HB1      ALA  79   0.498 -12.995   4.206
  593    HB2  ALA  79           HB2      ALA  79   1.293 -11.423   4.121
  594    HB3  ALA  79           HB3      ALA  79   1.304 -12.337   5.629
  595    H    THR  80           H        THR  80   2.754 -11.444   2.169
  596    HA   THR  80           HA       THR  80   2.762 -13.623   0.126
  597    HB   THR  80           HB       THR  80   1.113 -11.099  -0.048
  598    HG1  THR  80           HG1      THR  80   0.006 -12.323   1.318
  599   HG21  THR  80          HG21      THR  80   0.353 -13.247  -1.806
  600   HG22  THR  80          HG22      THR  80   2.065 -12.885  -2.022
  601   HG23  THR  80          HG23      THR  80   0.861 -11.611  -2.221
  602    H    THR  81           H        THR  81   4.067 -13.257  -1.629
  603    HA   THR  81           HA       THR  81   5.417 -10.599  -1.800
  604    HB   THR  81           HB       THR  81   7.114 -12.036  -1.009
  605    HG1  THR  81           HG1      THR  81   7.257 -12.309  -3.826
  606   HG21  THR  81          HG21      THR  81   7.411 -14.309  -2.306
  607   HG22  THR  81          HG22      THR  81   5.710 -14.073  -2.704
  608   HG23  THR  81          HG23      THR  81   6.213 -14.181  -1.017
  609    HA   PRO  82           HA       PRO  82   3.408 -11.563  -5.820
  610    HB2  PRO  82           HB3      PRO  82   2.374  -9.102  -6.286
  611    HB3  PRO  82           HB2      PRO  82   1.591 -10.278  -5.216
  612    HG2  PRO  82           HG3      PRO  82   3.177  -7.870  -4.540
  613    HG3  PRO  82           HG2      PRO  82   1.797  -8.591  -3.699
  614    HD2  PRO  82           HD3      PRO  82   4.487  -8.891  -2.965
  615    HD3  PRO  82           HD2      PRO  82   3.143  -9.907  -2.402
  616    HA   PRO  83           HA       PRO  83   6.503 -10.022  -8.584
  617    HB2  PRO  83           HB3      PRO  83   4.995  -9.621 -10.867
  618    HB3  PRO  83           HB2      PRO  83   5.578 -11.204 -10.317
  619    HG2  PRO  83           HG3      PRO  83   2.890  -9.973 -10.032
  620    HG3  PRO  83           HG2      PRO  83   3.337 -11.661 -10.331
  621    HD2  PRO  83           HD3      PRO  83   2.546 -10.772  -7.879
  622    HD3  PRO  83           HD2      PRO  83   3.703 -12.107  -8.086
  623    H    VAL  84           H        VAL  84   7.280  -8.048  -9.554
  624    HA   VAL  84           HA       VAL  84   5.817  -5.654  -8.635
  625    HB   VAL  84           HB       VAL  84   8.522  -5.947  -9.980
  626   HG11  VAL  84          HG11      VAL  84   7.829  -3.732 -10.406
  627   HG12  VAL  84          HG12      VAL  84   8.762  -3.592  -8.916
  628   HG13  VAL  84          HG13      VAL  84   6.999  -3.599  -8.857
  629   HG21  VAL  84          HG21      VAL  84   8.074  -6.908  -7.595
  630   HG22  VAL  84          HG22      VAL  84   8.001  -5.216  -7.101
  631   HG23  VAL  84          HG23      VAL  84   9.474  -5.860  -7.828
  632    H    GLU  85           H        GLU  85   4.571  -4.456  -9.969
  633    HA   GLU  85           HA       GLU  85   5.104  -4.481 -12.884
  634    HB2  GLU  85           HB3      GLU  85   3.379  -6.235 -12.403
  635    HB3  GLU  85           HB2      GLU  85   2.355  -4.980 -11.706
  636    HG2  GLU  85           HG3      GLU  85   2.434  -3.756 -13.877
  637    HG3  GLU  85           HG2      GLU  85   3.360  -5.091 -14.564
  638    H    ALA  86           H        ALA  86   4.239  -2.587 -13.954
  639    HA   ALA  86           HA       ALA  86   4.335  -0.191 -12.445
  640    HB1  ALA  86           HB1      ALA  86   3.135   0.806 -14.481
  641    HB2  ALA  86           HB2      ALA  86   3.122  -0.829 -15.143
  642    HB3  ALA  86           HB3      ALA  86   4.656  -0.026 -14.805
  643    H    LYS  87           H        LYS  87   2.714   1.106 -11.529
  644    HA   LYS  87           HA       LYS  87   0.283  -0.288 -10.714
  645    HB2  LYS  87           HB3      LYS  87   1.593   1.358  -9.282
  646    HB3  LYS  87           HB2      LYS  87   0.951   2.638 -10.312
  647    HG2  LYS  87           HG3      LYS  87  -1.353   1.919  -9.758
  648    HG3  LYS  87           HG2      LYS  87  -0.699   0.671  -8.697
  649    HD2  LYS  87           HD3      LYS  87   0.502   2.504  -7.433
  650    HD3  LYS  87           HD2      LYS  87  -0.414   3.671  -8.388
  651    HE2  LYS  87           HE3      LYS  87  -1.261   2.153  -6.071
  652    HE3  LYS  87           HE2      LYS  87  -2.084   3.480  -6.891
  653    HZ1  LYS  87           HZ1      LYS  87  -2.844   1.858  -8.565
  654    HZ2  LYS  87           HZ2      LYS  87  -3.437   1.527  -7.007
  655    HZ3  LYS  87           HZ3      LYS  87  -2.157   0.610  -7.645
  656    H    LEU  88           H        LEU  88  -1.741  -0.058 -11.601
  657    HA   LEU  88           HA       LEU  88  -2.083   1.025 -14.204
  658    HB2  LEU  88           HB3      LEU  88  -4.214   0.586 -12.088
  659    HB3  LEU  88           HB2      LEU  88  -4.487   0.721 -13.825
  660    HG   LEU  88           HG       LEU  88  -2.882  -1.441 -12.430
  661   HD11  LEU  88          HD11      LEU  88  -4.710  -2.869 -13.526
  662   HD12  LEU  88          HD12      LEU  88  -5.588  -1.359 -13.774
  663   HD13  LEU  88          HD13      LEU  88  -5.202  -1.896 -12.139
  664   HD21  LEU  88          HD21      LEU  88  -3.072  -2.373 -14.895
  665   HD22  LEU  88          HD22      LEU  88  -1.794  -1.230 -14.483
  666   HD23  LEU  88          HD23      LEU  88  -3.247  -0.668 -15.309
  667    H    GLN  89           H        GLN  89  -2.583   2.456 -11.007
  668    HA   GLN  89           HA       GLN  89  -2.294   5.129 -12.020
  669    HB2  GLN  89           HB3      GLN  89  -4.596   4.613 -12.867
  670    HB3  GLN  89           HB2      GLN  89  -5.111   4.358 -11.199
  671    HG2  GLN  89           HG3      GLN  89  -4.478   6.665 -10.634
  672    HG3  GLN  89           HG2      GLN  89  -3.922   6.927 -12.288
  673   HE21  GLN  89          HE21      GLN  89  -5.900   8.644 -11.472
  674   HE22  GLN  89          HE22      GLN  89  -7.394   8.225 -12.158
  675    H3   7V9 101          1H1       NIA 101 -12.250   4.024   8.525
  676    H4   7V9 101          2H1       NIA 101 -10.802   4.329   7.567
  677    H5   7V9 101          1HE1      NIA 101  -9.776   2.678   6.335
  678    H6   7V9 101          2HE1      NIA 101  -9.771   1.011   6.909
  679    H7   7V9 101          3HE1      NIA 101  -9.137   2.300   7.936
  680    H8   7V9 101          2HE2      NIA 101 -13.278   1.541   7.454
  681    H9   7V9 101          3HE2      NIA 101 -12.024   0.325   7.208
  682    H10  7V9 101          1HE2      NIA 101 -12.268   1.596   6.010
  683    H11  7V9 101          3H        NIA 101 -12.270   1.891   9.671
  684    H12  7V9 101          3HO       NIA 101 -10.703   3.684   9.718
  685    H13  7V9 101          5H        NIA 101  -8.760   0.959   9.359
  686    H14  7V9 101          1H6       NIA 101  -8.920  -1.753   9.181
  687    H15  7V9 101          2H6       NIA 101  -9.754  -1.256   7.711
  688    H16  7V9 101          1H7       NIA 101  -6.979  -0.291   8.436
  689    H17  7V9 101          2H7       NIA 101  -7.797  -0.142   6.882
  690    H18  7V9 101          9H        NIA 101  -8.636  -3.045   6.482
  691    H19  7V9 101          1H10      NIA 101  -7.680  -3.269   4.317
  692    H20  7V9 101          2H10      NIA 101  -6.316  -2.289   4.850
  693    H21  7V9 101          1H11      NIA 101  -6.617  -5.202   4.829
  694    H22  7V9 101          2H11      NIA 101  -6.078  -4.583   6.391
  695    H25  7V9 101          5H1       NIA 101  -2.041  -4.400   3.726
  696    H26  7V9 101          7H1       NIA 101  -1.860  -3.917  -0.436
  697    H27  7V9 101          8H1       NIA 101  -4.121  -4.918  -0.675
  698    H28  7V9 101          9H1       NIA 101  -5.004  -6.248   1.270
  Start of MODEL   20
    1    H1   MET   1           H1       MET   1   9.848  -5.419   3.132
    2    H2   MET   1           H2       MET   1  10.732  -4.370   4.133
    3    H3   MET   1           H3       MET   1  11.533  -5.316   2.971
    4    HA   MET   1           HA       MET   1   9.480  -3.349   2.181
    5    HB2  MET   1           HB3      MET   1  12.441  -2.885   2.639
    6    HB3  MET   1           HB2      MET   1  11.381  -1.770   1.773
    7    HG2  MET   1           HG3      MET   1   9.915  -1.700   3.815
    8    HG3  MET   1           HG2      MET   1  11.145  -2.632   4.667
    9    HE1  MET   1           HE1      MET   1  13.484  -2.146   4.626
   10    HE2  MET   1           HE2      MET   1  14.199  -0.551   4.843
   11    HE3  MET   1           HE3      MET   1  13.939  -1.177   3.217
   12    H    GLN   2           H        GLN   2  10.639  -6.093   1.368
   13    HA   GLN   2           HA       GLN   2  12.209  -5.785  -0.985
   14    HB2  GLN   2           HB3      GLN   2  10.143  -7.901  -0.305
   15    HB3  GLN   2           HB2      GLN   2  11.321  -8.027  -1.611
   16    HG2  GLN   2           HG3      GLN   2  13.161  -7.846   0.015
   17    HG3  GLN   2           HG2      GLN   2  11.991  -7.696   1.328
   18   HE21  GLN   2          HE21      GLN   2  13.850  -9.850   1.323
   19   HE22  GLN   2          HE22      GLN   2  13.008 -11.298   1.049
   20    H    HIS   3           H        HIS   3   8.709  -5.645  -0.471
   21    HA   HIS   3           HA       HIS   3   8.394  -4.829  -3.336
   22    HB2  HIS   3           HB3      HIS   3   7.216  -6.949  -2.587
   23    HB3  HIS   3           HB2      HIS   3   6.247  -5.942  -1.512
   24    HD1  HIS   3           HD1      HIS   3   7.153  -6.083  -5.221
   25    HD2  HIS   3           HD2      HIS   3   4.000  -4.915  -2.752
   26    HE1  HIS   3           HE1      HIS   3   5.259  -5.389  -6.756
   27    HE2  HIS   3           HE2      HIS   3   3.335  -4.678  -5.264
   28    H    ALA   4           H        ALA   4   8.770  -3.451  -0.458
   29    HA   ALA   4           HA       ALA   4   6.478  -1.816  -0.042
   30    HB1  ALA   4           HB1      ALA   4   7.960  -1.701   1.735
   31    HB2  ALA   4           HB2      ALA   4   8.358  -0.199   0.901
   32    HB3  ALA   4           HB3      ALA   4   9.375  -1.623   0.686
   33    H    SER   5           H        SER   5   9.266  -1.404  -2.202
   34    HA   SER   5           HA       SER   5   8.809   1.306  -2.915
   35    HB2  SER   5           HB3      SER   5   9.824  -0.903  -4.725
   36    HB3  SER   5           HB2      SER   5  10.084   0.825  -4.940
   37    HG   SER   5           HG       SER   5  11.447   0.841  -3.262
   38    H    VAL   6           H        VAL   6   7.405  -1.686  -4.196
   39    HA   VAL   6           HA       VAL   6   5.896  -0.429  -6.295
   40    HB   VAL   6           HB       VAL   6   5.453  -3.011  -4.789
   41   HG11  VAL   6          HG11      VAL   6   4.201  -3.340  -7.180
   42   HG12  VAL   6          HG12      VAL   6   3.889  -1.629  -6.891
   43   HG13  VAL   6          HG13      VAL   6   3.368  -2.831  -5.711
   44   HG21  VAL   6          HG21      VAL   6   6.159  -3.415  -7.498
   45   HG22  VAL   6          HG22      VAL   6   7.154  -3.740  -6.078
   46   HG23  VAL   6          HG23      VAL   6   7.254  -2.176  -6.885
   47    H    ILE   7           H        ILE   7   5.259  -1.114  -2.900
   48    HA   ILE   7           HA       ILE   7   2.484  -0.456  -2.895
   49    HB   ILE   7           HB       ILE   7   4.532  -0.167  -0.680
   50   HG12  ILE   7          HG13      ILE   7   2.623  -2.441  -1.318
   51   HG13  ILE   7          HG12      ILE   7   4.344  -2.450  -1.699
   52   HG21  ILE   7          HG21      ILE   7   2.508  -0.425   0.786
   53   HG22  ILE   7          HG22      ILE   7   1.499  -0.293  -0.656
   54   HG23  ILE   7          HG23      ILE   7   2.502   1.068  -0.154
   55   HD11  ILE   7          HD11      ILE   7   4.377  -1.749   0.952
   56   HD12  ILE   7          HD12      ILE   7   4.577  -3.395   0.353
   57   HD13  ILE   7          HD13      ILE   7   2.993  -2.840   0.891
   58    H    ALA   8           H        ALA   8   5.367   1.564  -2.294
   59    HA   ALA   8           HA       ALA   8   3.923   3.948  -1.662
   60    HB1  ALA   8           HB1      ALA   8   6.133   4.202  -1.090
   61    HB2  ALA   8           HB2      ALA   8   6.183   4.975  -2.675
   62    HB3  ALA   8           HB3      ALA   8   6.707   3.301  -2.493
   63    H    GLN   9           H        GLN   9   5.375   2.922  -4.772
   64    HA   GLN   9           HA       GLN   9   4.286   5.192  -6.187
   65    HB2  GLN   9           HB3      GLN   9   4.825   3.783  -8.248
   66    HB3  GLN   9           HB2      GLN   9   6.184   4.156  -7.188
   67    HG2  GLN   9           HG3      GLN   9   6.571   1.964  -6.896
   68    HG3  GLN   9           HG2      GLN   9   4.948   1.756  -6.247
   69   HE21  GLN   9          HE21      GLN   9   3.195   1.887  -8.204
   70   HE22  GLN   9          HE22      GLN   9   3.585   0.912  -9.538
   71    H    PHE  10           H        PHE  10   3.243   1.803  -5.862
   72    HA   PHE  10           HA       PHE  10   0.996   1.985  -7.594
   73    HB2  PHE  10           HB3      PHE  10   1.857  -0.152  -6.655
   74    HB3  PHE  10           HB2      PHE  10   1.256   0.328  -5.066
   75    HD1  PHE  10           HD1      PHE  10  -1.087   0.251  -4.530
   76    HD2  PHE  10           HD2      PHE  10   0.266  -0.581  -8.521
   77    HE1  PHE  10           HE1      PHE  10  -3.338  -0.610  -5.113
   78    HE2  PHE  10           HE2      PHE  10  -1.986  -1.443  -9.104
   79    HZ   PHE  10           HZ       PHE  10  -3.788  -1.456  -7.399
   80    H    VAL  11           H        VAL  11   1.272   2.583  -4.099
   81    HA   VAL  11           HA       VAL  11  -1.499   3.315  -3.771
   82    HB   VAL  11           HB       VAL  11   0.932   3.984  -2.086
   83   HG11  VAL  11          HG11      VAL  11  -0.731   4.342  -0.284
   84   HG12  VAL  11          HG12      VAL  11  -2.030   4.097  -1.450
   85   HG13  VAL  11          HG13      VAL  11  -0.953   5.484  -1.609
   86   HG21  VAL  11          HG21      VAL  11   0.561   1.992  -0.939
   87   HG22  VAL  11          HG22      VAL  11   0.133   1.513  -2.581
   88   HG23  VAL  11          HG23      VAL  11  -1.133   1.911  -1.421
   89    H    VAL  12           H        VAL  12   1.489   5.240  -4.124
   90    HA   VAL  12           HA       VAL  12   0.198   7.794  -3.981
   91    HB   VAL  12           HB       VAL  12   2.812   6.951  -5.227
   92   HG11  VAL  12          HG11      VAL  12   1.470   9.620  -4.951
   93   HG12  VAL  12          HG12      VAL  12   2.425   8.986  -6.293
   94   HG13  VAL  12          HG13      VAL  12   3.226   9.522  -4.816
   95   HG21  VAL  12          HG21      VAL  12   2.008   7.112  -2.567
   96   HG22  VAL  12          HG22      VAL  12   2.831   8.646  -2.848
   97   HG23  VAL  12          HG23      VAL  12   3.674   7.126  -3.143
   98    H    GLU  13           H        GLU  13   0.937   5.680  -6.730
   99    HA   GLU  13           HA       GLU  13   0.345   7.548  -8.777
  100    HB2  GLU  13           HB3      GLU  13   0.265   4.555  -8.649
  101    HB3  GLU  13           HB2      GLU  13  -0.244   5.407 -10.100
  102    HG2  GLU  13           HG3      GLU  13   1.926   6.549 -10.215
  103    HG3  GLU  13           HG2      GLU  13   2.444   5.721  -8.753
  104    H    GLU  14           H        GLU  14  -1.798   5.576  -6.805
  105    HA   GLU  14           HA       GLU  14  -4.138   5.923  -8.431
  106    HB2  GLU  14           HB3      GLU  14  -3.836   5.417  -5.458
  107    HB3  GLU  14           HB2      GLU  14  -5.378   5.375  -6.314
  108    HG2  GLU  14           HG3      GLU  14  -4.482   3.613  -7.813
  109    HG3  GLU  14           HG2      GLU  14  -2.970   3.630  -6.906
  110    H    PHE  15           H        PHE  15  -2.632   7.935  -5.948
  111    HA   PHE  15           HA       PHE  15  -4.928   9.811  -6.070
  112    HB2  PHE  15           HB3      PHE  15  -2.421   9.988  -4.378
  113    HB3  PHE  15           HB2      PHE  15  -3.908  10.915  -4.173
  114    HD1  PHE  15           HD1      PHE  15  -6.066   9.672  -3.631
  115    HD2  PHE  15           HD2      PHE  15  -2.196   7.827  -3.469
  116    HE1  PHE  15           HE1      PHE  15  -7.002   7.830  -2.256
  117    HE2  PHE  15           HE2      PHE  15  -3.125   5.986  -2.101
  118    HZ   PHE  15           HZ       PHE  15  -5.531   5.985  -1.492
  119    H    LEU  16           H        LEU  16  -1.349  10.165  -6.214
  120    HA   LEU  16           HA       LEU  16  -1.791  12.267  -8.299
  121    HB2  LEU  16           HB3      LEU  16  -0.491  12.456  -5.686
  122    HB3  LEU  16           HB2      LEU  16   0.543  13.007  -7.004
  123    HG   LEU  16           HG       LEU  16  -1.284  14.473  -7.811
  124   HD11  LEU  16          HD11      LEU  16  -3.349  13.739  -7.183
  125   HD12  LEU  16          HD12      LEU  16  -3.054  14.722  -5.749
  126   HD13  LEU  16          HD13      LEU  16  -2.740  12.987  -5.709
  127   HD21  LEU  16          HD21      LEU  16  -0.238  15.982  -6.502
  128   HD22  LEU  16          HD22      LEU  16   0.183  14.730  -5.334
  129   HD23  LEU  16          HD23      LEU  16  -1.361  15.572  -5.206
  130    HA   PRO  17           HA       PRO  17   1.304   9.257  -9.901
  131    HB2  PRO  17           HB3      PRO  17   0.131   8.923 -12.351
  132    HB3  PRO  17           HB2      PRO  17  -0.289   7.958 -10.926
  133    HG2  PRO  17           HG3      PRO  17  -1.784  10.117 -12.236
  134    HG3  PRO  17           HG2      PRO  17  -2.365   8.779 -11.237
  135    HD2  PRO  17           HD3      PRO  17  -2.035  11.475 -10.422
  136    HD3  PRO  17           HD2      PRO  17  -2.391  10.086  -9.377
  137    H    ASP  18           H        ASP  18   0.150  12.341 -10.899
  138    HA   ASP  18           HA       ASP  18   1.933  12.659 -13.175
  139    HB2  ASP  18           HB3      ASP  18   0.385  14.643 -11.501
  140    HB3  ASP  18           HB2      ASP  18   1.308  15.080 -12.933
  141    H    VAL  19           H        VAL  19   2.447  12.435  -9.909
  142    HA   VAL  19           HA       VAL  19   4.880  14.173 -10.021
  143    HB   VAL  19           HB       VAL  19   3.399  13.159  -7.573
  144   HG11  VAL  19          HG11      VAL  19   5.156  13.927  -6.394
  145   HG12  VAL  19          HG12      VAL  19   5.074  15.486  -7.213
  146   HG13  VAL  19          HG13      VAL  19   6.013  14.170  -7.916
  147   HG21  VAL  19          HG21      VAL  19   2.862  15.682  -7.391
  148   HG22  VAL  19          HG22      VAL  19   1.948  14.748  -8.575
  149   HG23  VAL  19          HG23      VAL  19   3.290  15.764  -9.101
  150    H    ALA  20           H        ALA  20   6.870  13.172  -9.571
  151    HA   ALA  20           HA       ALA  20   7.070  10.372  -9.991
  152    HB1  ALA  20           HB1      ALA  20   9.354  11.202  -8.526
  153    HB2  ALA  20           HB2      ALA  20   8.865  12.568  -9.530
  154    HB3  ALA  20           HB3      ALA  20   9.210  11.006 -10.273
  155    HA   PRO  21           HA       PRO  21   5.719   9.315  -5.793
  156    HB2  PRO  21           HB3      PRO  21   6.078   6.584  -6.012
  157    HB3  PRO  21           HB2      PRO  21   4.623   7.457  -6.535
  158    HG2  PRO  21           HG3      PRO  21   6.875   6.402  -8.138
  159    HG3  PRO  21           HG2      PRO  21   5.160   6.554  -8.549
  160    HD2  PRO  21           HD3      PRO  21   7.110   8.246  -9.477
  161    HD3  PRO  21           HD2      PRO  21   5.402   8.712  -9.314
  162    H    ALA  22           H        ALA  22   8.743   8.339  -7.255
  163    HA   ALA  22           HA       ALA  22   9.967   7.398  -4.793
  164    HB1  ALA  22           HB1      ALA  22  10.780   6.703  -7.033
  165    HB2  ALA  22           HB2      ALA  22  12.062   7.455  -6.082
  166    HB3  ALA  22           HB3      ALA  22  11.261   8.367  -7.362
  167    H    ASP  23           H        ASP  23   9.213  10.471  -6.045
  168    HA   ASP  23           HA       ASP  23  11.409  11.879  -4.701
  169    HB2  ASP  23           HB3      ASP  23   8.937  12.870  -6.147
  170    HB3  ASP  23           HB2      ASP  23  10.175  13.926  -5.468
  171    H    VAL  24           H        VAL  24   8.884  10.313  -3.468
  172    HA   VAL  24           HA       VAL  24   8.188  12.456  -1.510
  173    HB   VAL  24           HB       VAL  24   6.320  11.273  -2.767
  174   HG11  VAL  24          HG11      VAL  24   6.038   9.023  -2.631
  175   HG12  VAL  24          HG12      VAL  24   6.484   8.977  -0.926
  176   HG13  VAL  24          HG13      VAL  24   7.737   9.001  -2.164
  177   HG21  VAL  24          HG21      VAL  24   5.216  12.090  -0.978
  178   HG22  VAL  24          HG22      VAL  24   6.614  11.830   0.065
  179   HG23  VAL  24          HG23      VAL  24   5.454  10.528  -0.196
  180    H    ASP  25           H        ASP  25   8.524  12.063   0.709
  181    HA   ASP  25           HA       ASP  25  10.656  10.233   1.352
  182    HB2  ASP  25           HB3      ASP  25   8.759  11.806   3.121
  183    HB3  ASP  25           HB2      ASP  25  10.148  10.899   3.722
  184    H    VAL  26           H        VAL  26   9.804   8.166   0.658
  185    HA   VAL  26           HA       VAL  26   7.347   7.053   1.586
  186    HB   VAL  26           HB       VAL  26   8.321   4.877   0.986
  187   HG11  VAL  26          HG11      VAL  26   8.465   5.316  -1.287
  188   HG12  VAL  26          HG12      VAL  26   9.471   6.746  -1.052
  189   HG13  VAL  26          HG13      VAL  26   7.739   6.823  -0.728
  190   HG21  VAL  26          HG21      VAL  26  10.912   6.451   0.805
  191   HG22  VAL  26          HG22      VAL  26  10.707   4.781   0.273
  192   HG23  VAL  26          HG23      VAL  26  10.543   5.189   1.981
  193    H    ASP  27           H        ASP  27   9.881   8.080   3.423
  194    HA   ASP  27           HA       ASP  27   9.745   5.891   5.415
  195    HB2  ASP  27           HB3      ASP  27  11.332   8.477   5.335
  196    HB3  ASP  27           HB2      ASP  27  11.425   7.296   6.643
  197    H    LEU  28           H        LEU  28   7.769   8.298   4.600
  198    HA   LEU  28           HA       LEU  28   7.239   9.339   7.322
  199    HB2  LEU  28           HB3      LEU  28   7.177  10.866   5.346
  200    HB3  LEU  28           HB2      LEU  28   5.830   9.932   4.703
  201    HG   LEU  28           HG       LEU  28   5.000  10.458   7.282
  202   HD11  LEU  28          HD11      LEU  28   6.413  12.913   6.203
  203   HD12  LEU  28          HD12      LEU  28   6.911  11.985   7.617
  204   HD13  LEU  28          HD13      LEU  28   5.382  12.863   7.633
  205   HD21  LEU  28          HD21      LEU  28   4.528  11.894   4.660
  206   HD22  LEU  28          HD22      LEU  28   3.610  12.271   6.119
  207   HD23  LEU  28          HD23      LEU  28   3.523  10.655   5.415
  208    H    ASP  29           H        ASP  29   5.489   8.668   8.540
  209    HA   ASP  29           HA       ASP  29   4.205   6.201   7.902
  210    HB2  ASP  29           HB3      ASP  29   3.380   8.405   9.820
  211    HB3  ASP  29           HB2      ASP  29   2.628   6.811   9.760
  212    H    LEU  30           H        LEU  30   2.658   5.875   6.386
  213    HA   LEU  30           HA       LEU  30   1.467   8.063   4.953
  214    HB2  LEU  30           HB3      LEU  30   0.287   6.377   3.708
  215    HB3  LEU  30           HB2      LEU  30   1.891   5.734   4.054
  216    HG   LEU  30           HG       LEU  30   0.419   4.969   6.278
  217   HD11  LEU  30          HD11      LEU  30  -1.255   4.251   3.882
  218   HD12  LEU  30          HD12      LEU  30  -1.591   5.724   4.792
  219   HD13  LEU  30          HD13      LEU  30  -1.676   4.156   5.590
  220   HD21  LEU  30          HD21      LEU  30   0.906   3.403   3.728
  221   HD22  LEU  30          HD22      LEU  30   0.630   2.722   5.331
  222   HD23  LEU  30          HD23      LEU  30   2.094   3.649   5.009
  223    H    VAL  31           H        VAL  31   0.830   7.038   8.016
  224    HA   VAL  31           HA       VAL  31  -1.988   6.821   8.168
  225    HB   VAL  31           HB       VAL  31  -0.037   8.074  10.130
  226   HG11  VAL  31          HG11      VAL  31  -2.984   7.565  10.235
  227   HG12  VAL  31          HG12      VAL  31  -2.051   8.888  10.934
  228   HG13  VAL  31          HG13      VAL  31  -2.040   7.300  11.700
  229   HG21  VAL  31          HG21      VAL  31  -0.966   5.666  11.136
  230   HG22  VAL  31          HG22      VAL  31   0.589   5.908  10.337
  231   HG23  VAL  31          HG23      VAL  31  -0.798   5.332   9.412
  232    H    ASP  32           H        ASP  32   0.097   9.659   7.903
  233    HA   ASP  32           HA       ASP  32  -1.801  11.682   8.468
  234    HB2  ASP  32           HB3      ASP  32   0.420  11.632   6.392
  235    HB3  ASP  32           HB2      ASP  32  -0.477  13.084   6.842
  236    H    ASN  33           H        ASN  33  -1.284   9.667   5.647
  237    HA   ASN  33           HA       ASN  33  -3.397  10.989   4.098
  238    HB2  ASN  33           HB3      ASN  33  -1.913   8.404   3.575
  239    HB3  ASN  33           HB2      ASN  33  -2.937   9.258   2.425
  240   HD21  ASN  33          HD21      ASN  33   0.172   8.708   2.763
  241   HD22  ASN  33          HD22      ASN  33   0.844  10.217   2.377
  242    H    GLY  34           H        GLY  34  -3.767   9.631   6.786
  243    HA2  GLY  34           HA3      GLY  34  -5.070   7.217   6.801
  244    HA3  GLY  34           HA2      GLY  34  -5.628   8.578   7.774
  245    H    VAL  35           H        VAL  35  -5.994   9.932   4.939
  246    HA   VAL  35           HA       VAL  35  -8.798   9.694   4.786
  247    HB   VAL  35           HB       VAL  35  -7.193  11.317   3.533
  248   HG11  VAL  35          HG11      VAL  35  -6.431  10.656   1.405
  249   HG12  VAL  35          HG12      VAL  35  -7.527   9.275   1.347
  250   HG13  VAL  35          HG13      VAL  35  -6.121   9.240   2.408
  251   HG21  VAL  35          HG21      VAL  35  -9.828  10.214   2.795
  252   HG22  VAL  35          HG22      VAL  35  -8.998  11.041   1.477
  253   HG23  VAL  35          HG23      VAL  35  -9.327  11.894   2.985
  254    H    ILE  36           H        ILE  36  -6.273   7.637   3.490
  255    HA   ILE  36           HA       ILE  36  -8.016   6.064   1.808
  256    HB   ILE  36           HB       ILE  36  -6.117   4.553   1.619
  257   HG12  ILE  36          HG13      ILE  36  -4.884   6.213   3.829
  258   HG13  ILE  36          HG12      ILE  36  -5.476   4.562   4.000
  259   HG21  ILE  36          HG21      ILE  36  -6.145   6.882   0.518
  260   HG22  ILE  36          HG22      ILE  36  -4.602   6.032   0.592
  261   HG23  ILE  36          HG23      ILE  36  -4.953   7.324   1.741
  262   HD11  ILE  36          HD11      ILE  36  -3.442   3.843   3.365
  263   HD12  ILE  36          HD12      ILE  36  -2.937   5.483   2.955
  264   HD13  ILE  36          HD13      ILE  36  -3.784   4.497   1.763
  265    H    ASP  37           H        ASP  37  -7.724   6.300   5.122
  266    HA   ASP  37           HA       ASP  37  -7.785   3.713   6.130
  267    HB2  ASP  37           HB3      ASP  37  -9.382   6.145   6.963
  268    HB3  ASP  37           HB2      ASP  37  -9.335   4.656   7.907
  269    H    SER  38           H        SER  38 -10.472   5.494   4.622
  270    HA   SER  38           HA       SER  38 -11.977   2.910   4.583
  271    HB2  SER  38          2HB       SER  38 -13.359   5.566   4.511
  272    HB3  SER  38          1HB       SER  38 -13.981   4.015   5.059
  273    H    LEU  39           H        LEU  39 -11.623   6.012   2.833
  274    HA   LEU  39           HA       LEU  39 -13.005   4.995   0.501
  275    HB2  LEU  39           HB3      LEU  39 -11.244   7.412   0.888
  276    HB3  LEU  39           HB2      LEU  39 -12.141   7.078  -0.589
  277    HG   LEU  39           HG       LEU  39 -14.147   6.826   1.181
  278   HD11  LEU  39          HD11      LEU  39 -12.781   7.298   3.144
  279   HD12  LEU  39          HD12      LEU  39 -13.897   8.636   2.885
  280   HD13  LEU  39          HD13      LEU  39 -12.204   8.798   2.419
  281   HD21  LEU  39          HD21      LEU  39 -12.999   9.254  -0.180
  282   HD22  LEU  39          HD22      LEU  39 -14.470   9.387   0.783
  283   HD23  LEU  39          HD23      LEU  39 -14.425   8.314  -0.617
  284    H    GLY  40           H        GLY  40  -9.558   5.762   1.049
  285    HA2  GLY  40           HA3      GLY  40  -8.748   4.690  -1.497
  286    HA3  GLY  40           HA2      GLY  40  -7.664   5.081  -0.170
  287    H    LEU  41           H        LEU  41  -8.691   3.347   1.805
  288    HA   LEU  41           HA       LEU  41  -7.371   0.928   1.074
  289    HB2  LEU  41           HB3      LEU  41  -9.105   1.755   3.368
  290    HB3  LEU  41           HB2      LEU  41  -8.735   0.045   3.164
  291    HG   LEU  41           HG       LEU  41  -6.632   2.230   3.246
  292   HD11  LEU  41          HD11      LEU  41  -6.443   1.965   5.511
  293   HD12  LEU  41          HD12      LEU  41  -6.866   0.255   5.441
  294   HD13  LEU  41          HD13      LEU  41  -8.131   1.475   5.388
  295   HD21  LEU  41          HD21      LEU  41  -5.592  -0.278   3.966
  296   HD22  LEU  41          HD22      LEU  41  -5.329   0.569   2.442
  297   HD23  LEU  41          HD23      LEU  41  -6.638  -0.604   2.586
  298    H    LEU  42           H        LEU  42 -10.824   1.758   1.165
  299    HA   LEU  42           HA       LEU  42 -11.792  -0.862   0.631
  300    HB2  LEU  42           HB3      LEU  42 -13.192   1.143   1.282
  301    HB3  LEU  42           HB2      LEU  42 -13.024   1.719  -0.372
  302    HG   LEU  42           HG       LEU  42 -13.895  -1.095  -0.105
  303   HD11  LEU  42          HD11      LEU  42 -15.266  -0.356   1.666
  304   HD12  LEU  42          HD12      LEU  42 -16.301  -0.169   0.250
  305   HD13  LEU  42          HD13      LEU  42 -15.494   1.238   0.944
  306   HD21  LEU  42          HD21      LEU  42 -15.432  -0.333  -1.906
  307   HD22  LEU  42          HD22      LEU  42 -13.753   0.061  -2.266
  308   HD23  LEU  42          HD23      LEU  42 -14.846   1.314  -1.683
  309    H    LYS  43           H        LYS  43 -10.837   1.756  -1.599
  310    HA   LYS  43           HA       LYS  43 -11.441   0.291  -3.993
  311    HB2  LYS  43           HB3      LYS  43  -9.504   2.555  -3.485
  312    HB3  LYS  43           HB2      LYS  43  -9.953   1.968  -5.082
  313    HG2  LYS  43           HG3      LYS  43 -12.344   2.459  -4.544
  314    HG3  LYS  43           HG2      LYS  43 -11.818   3.161  -3.013
  315    HD2  LYS  43           HD3      LYS  43 -10.384   4.761  -4.287
  316    HD3  LYS  43           HD2      LYS  43 -11.047   4.111  -5.787
  317    HE2  LYS  43           HE3      LYS  43 -13.354   4.625  -4.509
  318    HE3  LYS  43           HE2      LYS  43 -12.340   5.843  -3.736
  319    HZ1  LYS  43           HZ1      LYS  43 -13.561   6.309  -5.999
  320    HZ2  LYS  43           HZ2      LYS  43 -12.174   5.567  -6.643
  321    HZ3  LYS  43           HZ3      LYS  43 -12.026   6.956  -5.674
  322    H    VAL  44           H        VAL  44  -8.489   0.673  -2.056
  323    HA   VAL  44           HA       VAL  44  -6.788  -0.845  -3.809
  324    HB   VAL  44           HB       VAL  44  -6.597  -0.306  -0.831
  325   HG11  VAL  44          HG11      VAL  44  -4.564  -1.407  -2.793
  326   HG12  VAL  44          HG12      VAL  44  -5.245  -2.252  -1.403
  327   HG13  VAL  44          HG13      VAL  44  -4.181  -0.868  -1.159
  328   HG21  VAL  44          HG21      VAL  44  -4.643   1.044  -2.420
  329   HG22  VAL  44          HG22      VAL  44  -5.943   1.753  -1.463
  330   HG23  VAL  44          HG23      VAL  44  -6.222   1.327  -3.153
  331    H    ILE  45           H        ILE  45  -8.755  -1.748  -0.990
  332    HA   ILE  45           HA       ILE  45  -7.887  -4.434  -0.761
  333    HB   ILE  45           HB       ILE  45 -10.252  -2.857   0.084
  334   HG12  ILE  45          HG13      ILE  45  -9.721  -4.049   2.232
  335   HG13  ILE  45          HG12      ILE  45  -8.419  -4.888   1.395
  336   HG21  ILE  45          HG21      ILE  45 -11.496  -4.678  -0.825
  337   HG22  ILE  45          HG22      ILE  45 -11.351  -5.010   0.900
  338   HG23  ILE  45          HG23      ILE  45 -10.320  -5.861  -0.248
  339   HD11  ILE  45          HD11      ILE  45  -8.651  -1.975   2.094
  340   HD12  ILE  45          HD12      ILE  45  -7.659  -2.466   0.723
  341   HD13  ILE  45          HD13      ILE  45  -7.292  -3.070   2.334
  342    H    ALA  46           H        ALA  46 -10.631  -3.096  -2.632
  343    HA   ALA  46           HA       ALA  46 -11.450  -5.592  -3.751
  344    HB1  ALA  46           HB1      ALA  46 -11.815  -3.366  -5.587
  345    HB2  ALA  46           HB2      ALA  46 -12.266  -2.915  -3.943
  346    HB3  ALA  46           HB3      ALA  46 -13.031  -4.303  -4.717
  347    H    TRP  47           H        TRP  47  -8.940  -3.300  -4.660
  348    HA   TRP  47           HA       TRP  47  -8.406  -4.409  -7.265
  349    HB2  TRP  47           HB3      TRP  47  -7.490  -2.283  -6.987
  350    HB3  TRP  47           HB2      TRP  47  -6.934  -2.627  -5.351
  351    HD1  TRP  47           HD1      TRP  47  -6.111  -3.545  -9.004
  352    HE1  TRP  47           HE1      TRP  47  -3.605  -4.137  -9.137
  353    HE3  TRP  47           HE3      TRP  47  -4.878  -3.281  -4.058
  354    HZ2  TRP  47           HZ2      TRP  47  -1.370  -4.449  -7.377
  355    HZ3  TRP  47           HZ3      TRP  47  -2.558  -3.730  -3.313
  356    HH2  TRP  47           HH2      TRP  47  -0.805  -4.314  -4.964
  357    H    LEU  48           H        LEU  48  -6.974  -4.935  -4.050
  358    HA   LEU  48           HA       LEU  48  -4.990  -6.803  -4.869
  359    HB2  LEU  48           HB3      LEU  48  -5.140  -5.646  -2.637
  360    HB3  LEU  48           HB2      LEU  48  -6.462  -6.726  -2.224
  361    HG   LEU  48           HG       LEU  48  -4.743  -8.590  -2.947
  362   HD11  LEU  48          HD11      LEU  48  -2.436  -7.908  -2.334
  363   HD12  LEU  48          HD12      LEU  48  -3.003  -6.249  -2.138
  364   HD13  LEU  48          HD13      LEU  48  -3.040  -7.011  -3.726
  365   HD21  LEU  48          HD21      LEU  48  -5.132  -7.089  -0.406
  366   HD22  LEU  48          HD22      LEU  48  -3.760  -8.197  -0.464
  367   HD23  LEU  48          HD23      LEU  48  -5.394  -8.799  -0.751
  368    H    GLU  49           H        GLU  49  -8.332  -7.283  -3.708
  369    HA   GLU  49           HA       GLU  49  -8.241 -10.151  -3.884
  370    HB2  GLU  49           HB3      GLU  49  -9.939  -9.110  -2.520
  371    HB3  GLU  49           HB2      GLU  49 -10.577  -8.224  -3.894
  372    HG2  GLU  49           HG3      GLU  49 -11.237 -10.318  -4.969
  373    HG3  GLU  49           HG2      GLU  49 -10.544 -11.238  -3.644
  374    H    ASP  50           H        ASP  50  -9.065  -7.615  -6.204
  375    HA   ASP  50           HA       ASP  50 -10.275  -9.255  -8.171
  376    HB2  ASP  50           HB3      ASP  50 -10.149  -6.743  -8.213
  377    HB3  ASP  50           HB2      ASP  50  -8.466  -6.898  -8.705
  378    H    ARG  51           H        ARG  51  -6.845  -8.586  -7.530
  379    HA   ARG  51           HA       ARG  51  -6.031 -10.266  -9.800
  380    HB2  ARG  51           HB3      ARG  51  -4.437  -8.859  -7.645
  381    HB3  ARG  51           HB2      ARG  51  -3.732  -9.738  -8.997
  382    HG2  ARG  51           HG3      ARG  51  -5.026  -8.237 -10.553
  383    HG3  ARG  51           HG2      ARG  51  -5.499  -7.285  -9.144
  384    HD2  ARG  51           HD3      ARG  51  -2.687  -7.774 -10.155
  385    HD3  ARG  51           HD2      ARG  51  -3.549  -6.236 -10.113
  386    HE   ARG  51           HE       ARG  51  -3.557  -6.830  -7.493
  387   HH11  ARG  51          HH11      ARG  51  -1.868  -6.605  -6.017
  388   HH12  ARG  51          HH12      ARG  51  -0.229  -6.677  -6.574
  389   HH21  ARG  51          HH21      ARG  51  -1.093  -7.164  -9.893
  390   HH22  ARG  51          HH22      ARG  51   0.207  -6.995  -8.764
  391    H    PHE  52           H        PHE  52  -5.514 -10.386  -6.244
  392    HA   PHE  52           HA       PHE  52  -4.509 -13.115  -6.423
  393    HB2  PHE  52           HB3      PHE  52  -5.204 -11.344  -4.070
  394    HB3  PHE  52           HB2      PHE  52  -4.483 -12.944  -3.922
  395    HD1  PHE  52           HD1      PHE  52  -3.921  -9.459  -4.895
  396    HD2  PHE  52           HD2      PHE  52  -2.204 -13.394  -4.762
  397    HE1  PHE  52           HE1      PHE  52  -1.675  -8.492  -5.299
  398    HE2  PHE  52           HE2      PHE  52   0.043 -12.426  -5.168
  399    HZ   PHE  52           HZ       PHE  52   0.308  -9.975  -5.436
  400    H    GLY  53           H        GLY  53  -7.646 -11.661  -5.816
  401    HA2  GLY  53           HA3      GLY  53  -9.737 -12.781  -5.711
  402    HA3  GLY  53           HA2      GLY  53  -8.877 -14.306  -5.914
  403    H    ILE  54           H        ILE  54  -8.299 -11.864  -3.398
  404    HA   ILE  54           HA       ILE  54  -8.857 -13.979  -1.371
  405    HB   ILE  54           HB       ILE  54  -7.420 -11.324  -1.056
  406   HG12  ILE  54          HG13      ILE  54  -6.217 -14.101  -1.188
  407   HG13  ILE  54          HG12      ILE  54  -6.335 -13.043  -2.595
  408   HG21  ILE  54          HG21      ILE  54  -7.590 -11.767   1.145
  409   HG22  ILE  54          HG22      ILE  54  -6.651 -13.235   0.883
  410   HG23  ILE  54          HG23      ILE  54  -8.412 -13.291   0.810
  411   HD11  ILE  54          HD11      ILE  54  -4.126 -12.895  -1.390
  412   HD12  ILE  54          HD12      ILE  54  -4.992 -12.242   0.000
  413   HD13  ILE  54          HD13      ILE  54  -4.976 -11.356  -1.525
  414    H    ALA  55           H        ALA  55 -10.474 -13.659   0.162
  415    HA   ALA  55           HA       ALA  55 -12.578 -11.828  -0.406
  416    HB1  ALA  55           HB1      ALA  55 -12.308 -12.696   2.412
  417    HB2  ALA  55           HB2      ALA  55 -12.328 -14.001   1.224
  418    HB3  ALA  55           HB3      ALA  55 -13.674 -12.864   1.309
  419    H    ALA  56           H        ALA  56 -13.040  -9.786   0.405
  420    HA   ALA  56           HA       ALA  56 -10.885  -8.119   1.217
  421    HB1  ALA  56           HB1      ALA  56 -13.887  -7.785   1.402
  422    HB2  ALA  56           HB2      ALA  56 -12.790  -7.078   0.216
  423    HB3  ALA  56           HB3      ALA  56 -12.763  -6.517   1.887
  424    H    ASP  57           H        ASP  57 -13.271  -9.939   3.069
  425    HA   ASP  57           HA       ASP  57 -12.206  -8.841   5.610
  426    HB2  ASP  57           HB3      ASP  57 -14.524 -10.688   5.014
  427    HB3  ASP  57           HB2      ASP  57 -14.053 -10.190   6.637
  428    H    ASP  58           H        ASP  58 -11.038 -10.988   3.596
  429    HA   ASP  58           HA       ASP  58 -10.857 -13.487   4.851
  430    HB2  ASP  58           HB3      ASP  58  -9.897 -12.853   2.606
  431    HB3  ASP  58           HB2      ASP  58  -8.559 -12.101   3.471
  432    H    VAL  59           H        VAL  59  -9.130 -10.500   5.603
  433    HA   VAL  59           HA       VAL  59  -8.019 -11.871   8.023
  434    HB   VAL  59           HB       VAL  59  -6.025 -10.464   7.839
  435   HG11  VAL  59          HG11      VAL  59  -6.298 -11.487   5.050
  436   HG12  VAL  59          HG12      VAL  59  -6.521 -12.648   6.359
  437   HG13  VAL  59          HG13      VAL  59  -5.008 -11.752   6.224
  438   HG21  VAL  59          HG21      VAL  59  -6.134  -9.391   5.269
  439   HG22  VAL  59          HG22      VAL  59  -6.301  -8.485   6.773
  440   HG23  VAL  59          HG23      VAL  59  -7.737  -9.062   5.926
  441    H    GLU  60           H        GLU  60  -7.709 -10.418   9.877
  442    HA   GLU  60           HA       GLU  60  -9.953  -8.650  10.264
  443    HB2  GLU  60           HB3      GLU  60  -8.813  -9.925  12.098
  444    HB3  GLU  60           HB2      GLU  60  -7.428  -8.853  11.928
  445    HG2  GLU  60           HG3      GLU  60  -8.917  -6.917  12.383
  446    HG3  GLU  60           HG2      GLU  60 -10.243  -8.040  12.658
  447    H    LEU  61           H        LEU  61 -10.004  -6.383  10.279
  448    HA   LEU  61           HA       LEU  61  -7.802  -5.078   8.798
  449    HB2  LEU  61           HB3      LEU  61 -10.353  -3.762   9.739
  450    HB3  LEU  61           HB2      LEU  61  -9.335  -3.319   8.373
  451    HG   LEU  61           HG       LEU  61 -11.072  -5.777   8.615
  452   HD11  LEU  61          HD11      LEU  61 -12.205  -4.806   6.652
  453   HD12  LEU  61          HD12      LEU  61 -11.107  -3.428   6.701
  454   HD13  LEU  61          HD13      LEU  61 -12.247  -3.694   8.020
  455   HD21  LEU  61          HD21      LEU  61  -9.028  -4.984   6.532
  456   HD22  LEU  61          HD22      LEU  61 -10.275  -6.193   6.242
  457   HD23  LEU  61          HD23      LEU  61  -9.059  -6.462   7.491
  458    H    SER  62           H        SER  62  -6.476  -3.486   9.727
  459    HA   SER  62           HA       SER  62  -7.153  -2.435  12.381
  460    HB2  SER  62           HB3      SER  62  -5.528  -4.722  12.177
  461    HB3  SER  62           HB2      SER  62  -4.424  -3.389  12.502
  462    HG   SER  62           HG       SER  62  -6.802  -3.477  13.950
  463    HA   PRO  63           HA       PRO  63  -5.108   0.953  10.251
  464    HB2  PRO  63           HB3      PRO  63  -4.805   2.627  12.444
  465    HB3  PRO  63           HB2      PRO  63  -6.260   2.519  11.439
  466    HG2  PRO  63           HG3      PRO  63  -5.708   1.365  14.103
  467    HG3  PRO  63           HG2      PRO  63  -7.231   1.934  13.406
  468    HD2  PRO  63           HD3      PRO  63  -6.579  -0.715  13.670
  469    HD3  PRO  63           HD2      PRO  63  -7.699  -0.100  12.434
  470    H    GLU  64           H        GLU  64  -3.801  -0.499  13.166
  471    HA   GLU  64           HA       GLU  64  -1.248   0.774  13.167
  472    HB2  GLU  64           HB3      GLU  64  -2.055  -1.981  14.105
  473    HB3  GLU  64           HB2      GLU  64  -0.514  -1.218  14.471
  474    HG2  GLU  64           HG3      GLU  64  -1.729   0.657  15.538
  475    HG3  GLU  64           HG2      GLU  64  -3.246  -0.180  15.233
  476    H    HIS  65           H        HIS  65  -2.565  -1.840  11.248
  477    HA   HIS  65           HA       HIS  65  -0.053  -2.900  10.323
  478    HB2  HIS  65           HB3      HIS  65  -2.145  -4.162  10.094
  479    HB3  HIS  65           HB2      HIS  65  -2.788  -2.927   9.013
  480    HD1  HIS  65           HD1      HIS  65  -2.827  -4.116   6.791
  481    HD2  HIS  65           HD2      HIS  65   0.834  -4.555   8.742
  482    HE1  HIS  65           HE1      HIS  65  -1.273  -5.263   5.150
  483    HE2  HIS  65           HE2      HIS  65   0.958  -5.530   6.327
  484    H    PHE  66           H        PHE  66  -1.974  -0.130   9.388
  485    HA   PHE  66           HA       PHE  66  -0.249   0.272   6.996
  486    HB2  PHE  66           HB3      PHE  66  -2.862   1.534   7.861
  487    HB3  PHE  66           HB2      PHE  66  -1.935   2.076   6.461
  488    HD1  PHE  66           HD1      PHE  66  -2.082   0.944   4.393
  489    HD2  PHE  66           HD2      PHE  66  -3.546  -0.935   7.968
  490    HE1  PHE  66           HE1      PHE  66  -3.027  -0.903   3.035
  491    HE2  PHE  66           HE2      PHE  66  -4.496  -2.778   6.609
  492    HZ   PHE  66           HZ       PHE  66  -4.234  -2.762   4.145
  493    H    ARG  67           H        ARG  67   0.202   0.861  10.063
  494    HA   ARG  67           HA       ARG  67   0.435   3.632  10.464
  495    HB2  ARG  67           HB3      ARG  67   0.868   1.925  12.218
  496    HB3  ARG  67           HB2      ARG  67   2.362   1.481  11.401
  497    HG2  ARG  67           HG3      ARG  67   3.071   2.967  13.085
  498    HG3  ARG  67           HG2      ARG  67   2.992   3.984  11.653
  499    HD2  ARG  67           HD3      ARG  67   0.786   4.815  12.326
  500    HD3  ARG  67           HD2      ARG  67   0.792   3.744  13.724
  501    HE   ARG  67           HE       ARG  67   3.107   5.242  14.014
  502   HH11  ARG  67          HH11      ARG  67   3.150   7.195  15.149
  503   HH12  ARG  67          HH12      ARG  67   1.694   8.119  15.314
  504   HH21  ARG  67          HH21      ARG  67  -0.249   5.870  13.528
  505   HH22  ARG  67          HH22      ARG  67  -0.231   7.368  14.396
  506    H    SER  68           H        SER  68   2.570   1.415   8.734
  507    HA   SER  68           HA       SER  68   3.873   3.764   7.472
  508    HB2  SER  68           HB3      SER  68   5.322   3.064   9.380
  509    HB3  SER  68           HB2      SER  68   5.430   1.454   8.675
  510    HG   SER  68           HG       SER  68   5.969   3.328   6.824
  511    H    ILE  69           H        ILE  69   4.614   3.321   5.352
  512    HA   ILE  69           HA       ILE  69   3.257   1.305   3.894
  513    HB   ILE  69           HB       ILE  69   5.812   2.771   3.171
  514   HG12  ILE  69          HG13      ILE  69   2.926   3.449   2.572
  515   HG13  ILE  69          HG12      ILE  69   3.915   4.254   3.781
  516   HG21  ILE  69          HG21      ILE  69   5.724   1.610   1.261
  517   HG22  ILE  69          HG22      ILE  69   4.106   2.248   0.969
  518   HG23  ILE  69          HG23      ILE  69   4.311   0.735   1.850
  519   HD11  ILE  69          HD11      ILE  69   4.029   5.616   1.815
  520   HD12  ILE  69          HD12      ILE  69   4.339   4.215   0.790
  521   HD13  ILE  69          HD13      ILE  69   5.571   4.767   1.925
  522    H    ARG  70           H        ARG  70   6.525   1.378   5.276
  523    HA   ARG  70           HA       ARG  70   7.495  -1.013   4.083
  524    HB2  ARG  70           HB3      ARG  70   9.166  -1.015   5.855
  525    HB3  ARG  70           HB2      ARG  70   8.902   0.642   5.307
  526    HG2  ARG  70           HG3      ARG  70   7.206   0.858   7.184
  527    HG3  ARG  70           HG2      ARG  70   7.815  -0.676   7.802
  528    HD2  ARG  70           HD3      ARG  70  10.116   0.315   7.849
  529    HD3  ARG  70           HD2      ARG  70   9.416   1.865   7.383
  530    HE   ARG  70           HE       ARG  70   8.684   2.124   9.607
  531   HH11  ARG  70          HH11      ARG  70   8.374   1.410  11.729
  532   HH12  ARG  70          HH12      ARG  70   8.579  -0.269  12.103
  533   HH21  ARG  70          HH21      ARG  70   9.389  -1.166   8.852
  534   HH22  ARG  70          HH22      ARG  70   9.154  -1.727  10.474
  535    H    SER  71           H        SER  71   5.664  -0.512   7.098
  536    HA   SER  71           HA       SER  71   5.846  -3.186   8.051
  537    HB2  SER  71           HB3      SER  71   3.969  -2.622   9.464
  538    HB3  SER  71           HB2      SER  71   4.997  -1.200   9.343
  539    HG   SER  71           HG       SER  71   3.486  -0.202   8.243
  540    H    ILE  72           H        ILE  72   3.605  -1.674   5.747
  541    HA   ILE  72           HA       ILE  72   1.794  -3.877   5.573
  542    HB   ILE  72           HB       ILE  72   2.515  -1.796   3.489
  543   HG12  ILE  72          HG13      ILE  72   0.274  -1.866   5.535
  544   HG13  ILE  72          HG12      ILE  72   1.729  -0.878   5.673
  545   HG21  ILE  72          HG21      ILE  72   0.825  -4.108   3.409
  546   HG22  ILE  72          HG22      ILE  72   1.085  -2.896   2.155
  547   HG23  ILE  72          HG23      ILE  72  -0.186  -2.665   3.355
  548   HD11  ILE  72          HD11      ILE  72   1.084   0.043   3.343
  549   HD12  ILE  72          HD12      ILE  72   0.140   0.588   4.727
  550   HD13  ILE  72          HD13      ILE  72  -0.504  -0.656   3.658
  551    H    ASP  73           H        ASP  73   4.755  -3.062   3.777
  552    HA   ASP  73           HA       ASP  73   4.602  -5.132   1.839
  553    HB2  ASP  73           HB3      ASP  73   6.268  -3.227   1.883
  554    HB3  ASP  73           HB2      ASP  73   7.148  -4.116   3.127
  555    H    ALA  74           H        ALA  74   5.824  -5.170   5.174
  556    HA   ALA  74           HA       ALA  74   6.967  -7.787   5.078
  557    HB1  ALA  74           HB1      ALA  74   6.294  -5.821   7.116
  558    HB2  ALA  74           HB2      ALA  74   7.585  -7.022   7.110
  559    HB3  ALA  74           HB3      ALA  74   5.973  -7.464   7.672
  560    H    PHE  75           H        PHE  75   3.684  -6.674   5.863
  561    HA   PHE  75           HA       PHE  75   2.645  -9.242   6.579
  562    HB2  PHE  75           HB3      PHE  75   1.502  -7.059   7.022
  563    HB3  PHE  75           HB2      PHE  75   1.150  -6.948   5.299
  564    HD1  PHE  75           HD1      PHE  75  -0.549  -8.312   4.265
  565    HD2  PHE  75           HD2      PHE  75   0.501  -8.872   8.393
  566    HE1  PHE  75           HE1      PHE  75  -2.547  -9.748   4.579
  567    HE2  PHE  75           HE2      PHE  75  -1.496 -10.309   8.706
  568    HZ   PHE  75           HZ       PHE  75  -3.020 -10.746   6.799
  569    H    VAL  76           H        VAL  76   2.633  -7.483   3.469
  570    HA   VAL  76           HA       VAL  76   1.303  -9.529   1.987
  571    HB   VAL  76           HB       VAL  76   3.220  -7.336   1.158
  572   HG11  VAL  76          HG11      VAL  76   2.241  -7.788  -1.139
  573   HG12  VAL  76          HG12      VAL  76   1.614  -9.300  -0.484
  574   HG13  VAL  76          HG13      VAL  76   3.354  -9.016  -0.541
  575   HG21  VAL  76          HG21      VAL  76   0.774  -6.997   2.137
  576   HG22  VAL  76          HG22      VAL  76   0.298  -7.460   0.503
  577   HG23  VAL  76          HG23      VAL  76   1.326  -6.050   0.754
  578    H    VAL  77           H        VAL  77   4.764  -8.863   2.558
  579    HA   VAL  77           HA       VAL  77   5.819 -10.876   0.869
  580    HB   VAL  77           HB       VAL  77   6.827  -9.662   3.450
  581   HG11  VAL  77          HG11      VAL  77   7.980 -11.784   1.672
  582   HG12  VAL  77          HG12      VAL  77   8.003 -11.672   3.430
  583   HG13  VAL  77          HG13      VAL  77   9.058 -10.639   2.467
  584   HG21  VAL  77          HG21      VAL  77   6.578  -8.343   1.228
  585   HG22  VAL  77          HG22      VAL  77   7.919  -9.335   0.653
  586   HG23  VAL  77          HG23      VAL  77   8.139  -8.278   2.048
  587    H    GLY  78           H        GLY  78   4.726 -11.011   4.243
  588    HA2  GLY  78           HA3      GLY  78   5.545 -13.671   4.805
  589    HA3  GLY  78           HA2      GLY  78   4.212 -12.842   5.606
  590    H    ALA  79           H        ALA  79   2.688 -12.458   3.093
  591    HA   ALA  79           HA       ALA  79   1.684 -15.251   2.882
  592    HB1  ALA  79           HB1      ALA  79   0.078 -13.101   1.675
  593    HB2  ALA  79           HB2      ALA  79   0.337 -12.925   3.410
  594    HB3  ALA  79           HB3      ALA  79  -0.411 -14.390   2.774
  595    H    THR  80           H        THR  80   2.275 -12.421   0.779
  596    HA   THR  80           HA       THR  80   2.813 -14.352  -1.442
  597    HB   THR  80           HB       THR  80   1.638 -12.982  -2.993
  598    HG1  THR  80           HG1      THR  80   0.719 -11.024  -1.426
  599   HG21  THR  80          HG21      THR  80   0.320 -14.247  -1.048
  600   HG22  THR  80          HG22      THR  80  -0.527 -13.284  -2.259
  601   HG23  THR  80          HG23      THR  80  -0.193 -12.604  -0.667
  602    H    THR  81           H        THR  81   4.343 -13.538  -3.046
  603    HA   THR  81           HA       THR  81   5.932 -11.189  -2.145
  604    HB   THR  81           HB       THR  81   7.258 -12.938  -1.309
  605    HG1  THR  81           HG1      THR  81   8.646 -11.800  -2.509
  606   HG21  THR  81          HG21      THR  81   7.738 -14.976  -2.790
  607   HG22  THR  81          HG22      THR  81   6.398 -14.421  -3.795
  608   HG23  THR  81          HG23      THR  81   6.115 -14.859  -2.110
  609    HA   PRO  82           HA       PRO  82   5.148 -10.977  -6.668
  610    HB2  PRO  82           HB3      PRO  82   4.475  -8.348  -6.766
  611    HB3  PRO  82           HB2      PRO  82   3.320  -9.615  -6.311
  612    HG2  PRO  82           HG3      PRO  82   4.747  -7.657  -4.610
  613    HG3  PRO  82           HG2      PRO  82   3.140  -8.374  -4.411
  614    HD2  PRO  82           HD3      PRO  82   5.466  -9.168  -3.050
  615    HD3  PRO  82           HD2      PRO  82   3.957 -10.100  -3.155
  616    HA   PRO  83           HA       PRO  83   9.072  -9.374  -7.915
  617    HB2  PRO  83           HB3      PRO  83   8.390  -8.123 -10.301
  618    HB3  PRO  83           HB2      PRO  83   8.683  -9.861 -10.113
  619    HG2  PRO  83           HG3      PRO  83   6.117  -8.378 -10.258
  620    HG3  PRO  83           HG2      PRO  83   6.536  -9.983 -10.881
  621    HD2  PRO  83           HD3      PRO  83   5.060  -9.638  -8.618
  622    HD3  PRO  83           HD2      PRO  83   6.150 -11.025  -8.845
  623    H    VAL  84           H        VAL  84  10.309  -7.441  -7.866
  624    HA   VAL  84           HA       VAL  84   8.762  -4.905  -7.519
  625    HB   VAL  84           HB       VAL  84   9.521  -5.815  -5.317
  626   HG11  VAL  84          HG11      VAL  84  11.744  -6.623  -6.671
  627   HG12  VAL  84          HG12      VAL  84  11.682  -6.437  -4.919
  628   HG13  VAL  84          HG13      VAL  84  12.342  -5.144  -5.920
  629   HG21  VAL  84          HG21      VAL  84  10.243  -3.728  -4.516
  630   HG22  VAL  84          HG22      VAL  84   9.433  -3.295  -6.021
  631   HG23  VAL  84          HG23      VAL  84  11.193  -3.394  -5.964
  632    H    GLU  85           H        GLU  85   9.690  -3.108  -8.471
  633    HA   GLU  85           HA       GLU  85  12.172  -3.598 -10.050
  634    HB2  GLU  85           HB3      GLU  85   9.945  -1.589 -10.512
  635    HB3  GLU  85           HB2      GLU  85  11.364  -1.801 -11.540
  636    HG2  GLU  85           HG3      GLU  85  10.688  -4.160 -11.946
  637    HG3  GLU  85           HG2      GLU  85   9.235  -3.887 -10.984
  638    H    ALA  86           H        ALA  86  13.570  -1.608 -10.316
  639    HA   ALA  86           HA       ALA  86  14.418  -0.564  -7.857
  640    HB1  ALA  86           HB1      ALA  86  16.022   0.225  -9.225
  641    HB2  ALA  86           HB2      ALA  86  14.895   1.447  -9.815
  642    HB3  ALA  86           HB3      ALA  86  15.012  -0.113 -10.632
  643    H    LYS  87           H        LYS  87  13.873   1.259  -6.649
  644    HA   LYS  87           HA       LYS  87  11.208   2.226  -6.760
  645    HB2  LYS  87           HB3      LYS  87  12.750   2.335  -4.768
  646    HB3  LYS  87           HB2      LYS  87  13.581   3.676  -5.556
  647    HG2  LYS  87           HG3      LYS  87  11.448   4.934  -5.644
  648    HG3  LYS  87           HG2      LYS  87  10.642   3.604  -4.812
  649    HD2  LYS  87           HD3      LYS  87  12.324   3.886  -2.939
  650    HD3  LYS  87           HD2      LYS  87  12.861   5.363  -3.739
  651    HE2  LYS  87           HE3      LYS  87  10.013   5.442  -3.605
  652    HE3  LYS  87           HE2      LYS  87  10.612   5.009  -2.004
  653    HZ1  LYS  87           HZ1      LYS  87  10.434   7.471  -2.587
  654    HZ2  LYS  87           HZ2      LYS  87  11.819   7.222  -3.541
  655    HZ3  LYS  87           HZ3      LYS  87  11.873   6.935  -1.867
  656    H    LEU  88           H        LEU  88  14.201   3.514  -8.153
  657    HA   LEU  88           HA       LEU  88  12.652   5.765  -9.333
  658    HB2  LEU  88           HB3      LEU  88  14.811   6.261  -8.164
  659    HB3  LEU  88           HB2      LEU  88  15.643   5.273  -9.363
  660    HG   LEU  88           HG       LEU  88  14.666   6.756 -11.154
  661   HD11  LEU  88          HD11      LEU  88  13.617   8.117  -8.695
  662   HD12  LEU  88          HD12      LEU  88  12.827   7.852 -10.248
  663   HD13  LEU  88          HD13      LEU  88  14.060   9.102 -10.088
  664   HD21  LEU  88          HD21      LEU  88  16.585   7.692  -9.047
  665   HD22  LEU  88          HD22      LEU  88  16.125   8.808 -10.333
  666   HD23  LEU  88          HD23      LEU  88  16.894   7.271 -10.731
  667    H    GLN  89           H        GLN  89  12.118   5.726 -11.474
  668    HA   GLN  89           HA       GLN  89  12.940   3.384 -13.068
  669    HB2  GLN  89           HB3      GLN  89  10.570   4.207 -13.048
  670    HB3  GLN  89           HB2      GLN  89  11.120   5.683 -13.841
  671    HG2  GLN  89           HG3      GLN  89  10.355   4.241 -15.590
  672    HG3  GLN  89           HG2      GLN  89  12.118   4.187 -15.649
  673   HE21  GLN  89          HE21      GLN  89  12.947   2.102 -15.769
  674   HE22  GLN  89          HE22      GLN  89  12.179   0.709 -15.175
  675    H3   7V9 101          1H1       NIA 101 -10.964   1.657   7.594
  676    H4   7V9 101          2H1       NIA 101 -12.326   1.780   8.703
  677    H5   7V9 101          1HE1      NIA 101 -11.805   2.756  11.114
  678    H6   7V9 101          2HE1      NIA 101 -10.883   4.039  10.328
  679    H7   7V9 101          3HE1      NIA 101 -10.112   3.012  11.537
  680    H8   7V9 101          2HE2      NIA 101  -8.921   2.438   8.127
  681    H9   7V9 101          3HE2      NIA 101  -8.315   1.589   9.549
  682    H10  7V9 101          1HE2      NIA 101  -8.665   3.315   9.634
  683    H11  7V9 101          3H        NIA 101 -11.493   0.409  10.473
  684    H12  7V9 101          3HO       NIA 101  -9.074   1.312  11.340
  685    H13  7V9 101          5H        NIA 101  -8.321  -0.988   9.849
  686    H14  7V9 101          1H6       NIA 101  -8.590  -0.921   6.953
  687    H15  7V9 101          2H6       NIA 101  -7.817   0.527   7.589
  688    H16  7V9 101          1H7       NIA 101  -6.311  -1.182   8.891
  689    H17  7V9 101          2H7       NIA 101  -5.966  -0.839   7.201
  690    H18  7V9 101          9H        NIA 101  -8.694  -2.978   6.766
  691    H19  7V9 101          1H10      NIA 101  -7.989  -3.022   4.502
  692    H20  7V9 101          2H10      NIA 101  -6.330  -2.765   5.042
  693    H21  7V9 101          1H11      NIA 101  -7.801  -5.296   4.593
  694    H22  7V9 101          2H11      NIA 101  -6.807  -5.253   6.050
  695    H25  7V9 101          5H1       NIA 101  -3.981  -6.908   2.941
  696    H26  7V9 101          7H1       NIA 101  -1.999  -5.223  -0.347
  697    H27  7V9 101          8H1       NIA 101  -4.131  -4.230  -1.150
  698    H28  7V9 101          9H1       NIA 101  -6.011  -4.043   0.510